data_1hme_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 1hme _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 full ' A' A ' 1' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 3' ' ' ASP . 81.7 m-85 . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -46.89 97.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 1' ' ' PHE . 1.7 m-20 -54.99 114.62 7.34 Favored Pre-proline 0 CA--C 1.562 1.43 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -57.38 -28.58 80.88 Favored 'Trans proline' 0 C--O 1.215 -0.629 0 C-N-CA 120.426 0.751 . . . . 0.0 111.992 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.01 -68.28 0.37 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.794 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.77 101.44 0.24 Allowed Pre-proline 0 N--CA 1.513 2.709 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.498 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -102.67 -157.88 0.03 OUTLIER 'Trans proline' 0 C--O 1.216 -0.613 0 C-N-CA 122.23 1.954 . . . . 0.0 112.293 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -142.91 137.66 29.64 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.456 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.85 150.2 36.51 Favored Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.983 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -55.74 151.48 39.53 Favored 'Trans proline' 0 CA--C 1.557 1.662 0 C-N-CA 120.887 1.058 . . . . 0.0 110.687 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -83.12 -150.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.05 1.167 . . . . 0.0 109.171 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.55 146.21 28.46 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.841 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.37 69.5 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.698 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.52 -8.0 59.66 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.263 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.2 -34.07 68.11 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 117.842 -1.543 . . . . 0.0 106.855 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.14 -22.08 63.02 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.91 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 21' ' ' TYR . 36.9 t80 -85.76 -39.31 17.28 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -62.2 1.63 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.992 -1.083 . . . . 0.0 110.522 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -44.86 -30.78 1.05 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.655 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.33 -50.43 10.88 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.718 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' CD1' ' CE2' ' A' ' 17' ' ' PHE . 52.7 m-85 -93.9 23.64 4.73 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.638 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 54.4 ttt180 -89.12 -34.98 0.41 Allowed Pre-proline 0 N--CA 1.501 2.08 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.855 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 22' ' ' ARG . 9.5 Cg_endo -79.95 -33.1 1.24 Allowed 'Trans proline' 0 C--O 1.215 -0.638 0 C-N-CA 120.911 1.074 . . . . 0.0 111.187 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -57.08 -56.94 15.26 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -71.3 -59.58 3.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.599 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -53.49 -23.19 9.56 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' PRO . . . -60.51 -60.53 8.37 Favored Glycine 0 N--CA 1.478 1.466 0 N-CA-C 108.684 -1.767 . . . . 0.0 108.684 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -77.99 -1.71 33.47 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.848 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' C ' ' H ' ' A' ' 31' ' ' GLY . 90.8 m-70 -136.22 69.02 62.83 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -69.63 31.6 0.18 Allowed 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 121.216 1.277 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 29' ' ' HIS . . . -148.64 27.05 1.33 Allowed Glycine 0 N--CA 1.501 3.002 0 C-N-CA 119.128 -1.51 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.25 149.45 40.77 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 91.2 p -93.26 145.88 24.11 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.6 mm -44.49 -27.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 118.741 -1.183 . . . . 0.0 110.835 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.32 -51.14 13.89 Favored Glycine 0 C--N 1.291 -1.939 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -60.55 -46.81 88.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.761 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.67 -59.9 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.471 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.42 77.75 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.151 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.91 -63.26 1.21 Allowed 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -53.36 -42.59 67.0 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.296 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.0 mt -57.58 -34.56 69.35 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.16 -1.416 . . . . 0.0 108.706 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 -35.37 85.86 Favored Glycine 0 C--N 1.292 -1.889 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -68.17 -56.48 8.59 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.982 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.3 mtm -55.03 -43.57 73.85 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.008 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.403 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 49.3 t-105 -58.66 -60.77 3.3 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.751 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.17 -39.18 20.02 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.936 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -77.59 -21.74 51.93 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.72 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.4 m -53.62 125.61 18.81 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.664 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.33 138.6 20.9 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.386 -0.925 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.85 -40.23 55.61 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.186 -1.006 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -66.47 -22.34 66.2 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.23 -13.62 46.32 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -81.82 -11.83 58.79 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.168 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -45.8 -58.93 5.31 Favored Pre-proline 0 C--N 1.292 -1.893 0 CA-C-N 115.01 -0.995 . . . . 0.0 113.573 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 8.3 Cg_exo -47.1 -42.45 26.21 Favored 'Trans proline' 0 C--N 1.321 -0.888 0 C-N-CA 120.292 0.661 . . . . 0.0 112.786 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.93 -60.82 2.02 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 119.109 -1.036 . . . . 0.0 112.778 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 8.3 pt-20 -55.77 -42.06 74.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.161 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 42.9 tptt -58.71 -43.73 90.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.76 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.24 -53.01 62.97 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.19 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.13 -36.28 50.83 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.91 69.88 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.589 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.51 -54.95 15.7 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.98 -16.59 63.21 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.155 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.04 -47.86 33.94 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.848 -1.141 . . . . 0.0 108.739 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.25 -30.56 60.3 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -78.03 -37.79 46.17 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.574 -1.193 . . . . 0.0 109.415 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 69' ' ' LYS . 77.9 t80 -54.66 -87.38 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.003 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.06 -12.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 67' ' ' TYR . 20.5 tptm -61.76 -45.5 93.65 Favored 'General case' 0 C--N 1.275 -2.639 0 C-N-CA 119.329 -0.949 . . . . 0.0 112.293 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.22 -13.56 15.11 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.54 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' TYR . 3.3 mm -63.38 -30.16 49.08 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.669 -0.813 . . . . 0.0 111.948 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.87 -27.45 0.06 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ILE . . . -92.81 -36.24 12.97 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.152 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 19.1 t80 -64.09 176.42 1.0 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.078 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' A' ' 74' ' ' TYR . 25.3 ptt180 -105.34 -163.21 0.93 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.726 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.71 118.47 4.99 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.3 mttt . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 116.333 -1.794 . . . . 0.0 110.547 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 3' ' ' ASP . 81.7 m-85 . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -46.89 97.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 1' ' ' PHE . 1.7 m-20 -54.99 114.62 7.34 Favored Pre-proline 0 CA--C 1.562 1.43 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -57.38 -28.58 80.88 Favored 'Trans proline' 0 C--O 1.215 -0.629 0 C-N-CA 120.426 0.751 . . . . 0.0 111.992 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.01 -68.28 0.37 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.794 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.77 101.44 0.24 Allowed Pre-proline 0 N--CA 1.513 2.709 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.498 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' HG3' HD12 ' A' ' 71' ' ' ILE . 2.8 Cg_endo -102.67 -157.88 0.03 OUTLIER 'Trans proline' 0 C--O 1.216 -0.613 0 C-N-CA 122.23 1.954 . . . . 0.0 112.293 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -142.91 137.66 29.64 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.456 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.85 150.2 36.51 Favored Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.983 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -55.74 151.48 39.53 Favored 'Trans proline' 0 CA--C 1.557 1.662 0 C-N-CA 120.887 1.058 . . . . 0.0 110.687 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HG2' HD21 ' A' ' 16' ' ' LEU . 72.7 Cg_endo -83.12 -150.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.05 1.167 . . . . 0.0 109.171 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.55 146.21 28.46 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.841 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.37 69.5 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.698 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.52 -8.0 59.66 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.263 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.2 -34.07 68.11 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 117.842 -1.543 . . . . 0.0 106.855 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.407 HD21 ' HG2' ' A' ' 11' ' ' PRO . 33.6 mt -70.14 -22.08 63.02 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.91 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 21' ' ' TYR . 36.9 t80 -85.76 -39.31 17.28 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -62.2 1.63 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.992 -1.083 . . . . 0.0 110.522 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -44.86 -30.78 1.05 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.655 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.33 -50.43 10.88 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.718 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' CD1' ' CE2' ' A' ' 17' ' ' PHE . 52.7 m-85 -93.9 23.64 4.73 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.638 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 54.4 ttt180 -89.12 -34.98 0.41 Allowed Pre-proline 0 N--CA 1.501 2.08 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.855 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 22' ' ' ARG . 9.5 Cg_endo -79.95 -33.1 1.24 Allowed 'Trans proline' 0 C--O 1.215 -0.638 0 C-N-CA 120.911 1.074 . . . . 0.0 111.187 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -57.08 -56.94 15.26 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -71.3 -59.58 3.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.599 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -53.49 -23.19 9.56 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' PRO . . . -60.51 -60.53 8.37 Favored Glycine 0 N--CA 1.478 1.466 0 N-CA-C 108.684 -1.767 . . . . 0.0 108.684 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -77.99 -1.71 33.47 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.848 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' C ' ' H ' ' A' ' 31' ' ' GLY . 90.8 m-70 -136.22 69.02 62.83 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -69.63 31.6 0.18 Allowed 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 121.216 1.277 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 29' ' ' HIS . . . -148.64 27.05 1.33 Allowed Glycine 0 N--CA 1.501 3.002 0 C-N-CA 119.128 -1.51 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' OD1' ' A' ' 36' ' ' ASP . 13.5 mt -74.25 149.45 40.77 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 91.2 p -93.26 145.88 24.11 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.6 mm -44.49 -27.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 118.741 -1.183 . . . . 0.0 110.835 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.32 -51.14 13.89 Favored Glycine 0 C--N 1.291 -1.939 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' OD1' HD22 ' A' ' 32' ' ' LEU . 8.6 t70 -60.55 -46.81 88.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.761 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.67 -59.9 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.471 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.42 77.75 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.151 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.91 -63.26 1.21 Allowed 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -53.36 -42.59 67.0 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.296 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 21' ' ' TYR . 45.0 mt -57.58 -34.56 69.35 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.16 -1.416 . . . . 0.0 108.706 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 -35.37 85.86 Favored Glycine 0 C--N 1.292 -1.889 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -68.17 -56.48 8.59 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.982 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.3 mtm -55.03 -43.57 73.85 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.008 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.423 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 49.3 t-105 -58.66 -60.77 3.3 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.751 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -48.17 -39.18 20.02 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.936 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -77.59 -21.74 51.93 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.72 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.4 m -53.62 125.61 18.81 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.664 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.33 138.6 20.9 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.386 -0.925 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.85 -40.23 55.61 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.186 -1.006 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -66.47 -22.34 66.2 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.23 -13.62 46.32 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -81.82 -11.83 58.79 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.168 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -45.8 -58.93 5.31 Favored Pre-proline 0 C--N 1.292 -1.893 0 CA-C-N 115.01 -0.995 . . . . 0.0 113.573 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 8.3 Cg_exo -47.1 -42.45 26.21 Favored 'Trans proline' 0 C--N 1.321 -0.888 0 C-N-CA 120.292 0.661 . . . . 0.0 112.786 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.93 -60.82 2.02 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 119.109 -1.036 . . . . 0.0 112.778 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 8.3 pt-20 -55.77 -42.06 74.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.161 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 42.9 tptt -58.71 -43.73 90.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.76 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.24 -53.01 62.97 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.19 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.13 -36.28 50.83 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.91 69.88 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.589 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.51 -54.95 15.7 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.98 -16.59 63.21 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.155 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.04 -47.86 33.94 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.848 -1.141 . . . . 0.0 108.739 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.25 -30.56 60.3 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -78.03 -37.79 46.17 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.574 -1.193 . . . . 0.0 109.415 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 69' ' ' LYS . 77.9 t80 -54.66 -87.38 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.003 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.06 -12.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 67' ' ' TYR . 20.5 tptm -61.76 -45.5 93.65 Favored 'General case' 0 C--N 1.275 -2.639 0 C-N-CA 119.329 -0.949 . . . . 0.0 112.293 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.22 -13.56 15.11 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.54 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.576 ' N ' HD13 ' A' ' 71' ' ' ILE . 3.3 mm -63.38 -30.16 49.08 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.669 -0.813 . . . . 0.0 111.948 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.87 -27.45 0.06 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ILE . . . -92.81 -36.24 12.97 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.152 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 19.1 t80 -64.09 176.42 1.0 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.078 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' A' ' 74' ' ' TYR . 25.3 ptt180 -105.34 -163.21 0.93 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.726 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.71 118.47 4.99 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.3 mttt . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 116.333 -1.794 . . . . 0.0 110.547 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 3' ' ' ASP . 81.7 m-85 . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -46.89 97.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.042 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 1' ' ' PHE . 1.7 m-20 -54.99 114.62 7.34 Favored Pre-proline 0 CA--C 1.562 1.43 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -57.38 -28.58 80.88 Favored 'Trans proline' 0 C--O 1.215 -0.629 0 C-N-CA 120.426 0.751 . . . . 0.0 111.992 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.01 -68.28 0.37 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.794 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -39.77 101.44 0.24 Allowed Pre-proline 0 N--CA 1.513 2.709 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.498 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' HG3' HD12 ' A' ' 71' ' ' ILE . 2.8 Cg_endo -102.67 -157.88 0.03 OUTLIER 'Trans proline' 0 C--O 1.216 -0.613 0 C-N-CA 122.23 1.954 . . . . 0.0 112.293 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -142.91 137.66 29.64 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.456 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.85 150.2 36.51 Favored Pre-proline 0 N--CA 1.49 1.555 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.983 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -55.74 151.48 39.53 Favored 'Trans proline' 0 CA--C 1.557 1.662 0 C-N-CA 120.887 1.058 . . . . 0.0 110.687 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HG2' HD21 ' A' ' 16' ' ' LEU . 72.7 Cg_endo -83.12 -150.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.05 1.167 . . . . 0.0 109.171 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.55 146.21 28.46 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.841 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.37 69.5 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.113 -1.035 . . . . 0.0 110.698 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.52 -8.0 59.66 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.263 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.2 -34.07 68.11 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 117.842 -1.543 . . . . 0.0 106.855 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.407 HD21 ' HG2' ' A' ' 11' ' ' PRO . 33.6 mt -70.14 -22.08 63.02 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.91 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 21' ' ' TYR . 36.9 t80 -85.76 -39.31 17.28 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -62.2 1.63 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.992 -1.083 . . . . 0.0 110.522 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 t -44.86 -30.78 1.05 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.655 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.33 -50.43 10.88 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.359 -0.936 . . . . 0.0 111.718 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' CD1' ' CE2' ' A' ' 17' ' ' PHE . 52.7 m-85 -93.9 23.64 4.73 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.638 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 54.4 ttt180 -89.12 -34.98 0.41 Allowed Pre-proline 0 N--CA 1.501 2.08 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.855 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 22' ' ' ARG . 9.5 Cg_endo -79.95 -33.1 1.24 Allowed 'Trans proline' 0 C--O 1.215 -0.638 0 C-N-CA 120.911 1.074 . . . . 0.0 111.187 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -57.08 -56.94 15.26 Favored 'General case' 0 C--N 1.307 -1.279 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.934 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -71.3 -59.58 3.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.599 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -53.49 -23.19 9.56 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' PRO . . . -60.51 -60.53 8.37 Favored Glycine 0 N--CA 1.478 1.466 0 N-CA-C 108.684 -1.767 . . . . 0.0 108.684 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -77.99 -1.71 33.47 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.848 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.499 ' C ' ' H ' ' A' ' 31' ' ' GLY . 90.8 m-70 -136.22 69.02 62.83 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -69.63 31.6 0.18 Allowed 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 121.216 1.277 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 29' ' ' HIS . . . -148.64 27.05 1.33 Allowed Glycine 0 N--CA 1.501 3.002 0 C-N-CA 119.128 -1.51 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' OD1' ' A' ' 36' ' ' ASP . 13.5 mt -74.25 149.45 40.77 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 118.664 -1.215 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 91.2 p -93.26 145.88 24.11 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.6 mm -44.49 -27.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 118.741 -1.183 . . . . 0.0 110.835 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.32 -51.14 13.89 Favored Glycine 0 C--N 1.291 -1.939 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' OD1' HD22 ' A' ' 32' ' ' LEU . 8.6 t70 -60.55 -46.81 88.8 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.761 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.67 -59.9 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.471 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.42 77.75 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.151 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.91 -63.26 1.21 Allowed 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -53.36 -42.59 67.0 Favored 'General case' 0 C--N 1.294 -1.841 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.296 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 21' ' ' TYR . 45.0 mt -57.58 -34.56 69.35 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.16 -1.416 . . . . 0.0 108.706 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 -35.37 85.86 Favored Glycine 0 C--N 1.292 -1.889 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -68.17 -56.48 8.59 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.982 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.3 mtm -55.03 -43.57 73.85 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.008 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.423 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 49.3 t-105 -58.66 -60.77 3.3 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.751 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.17 -39.18 20.02 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.936 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -77.59 -21.74 51.93 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.72 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.4 m -53.62 125.61 18.81 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.062 -1.055 . . . . 0.0 110.664 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.33 138.6 20.9 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 119.386 -0.925 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.85 -40.23 55.61 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.186 -1.006 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -66.47 -22.34 66.2 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 119.705 -0.798 . . . . 0.0 111.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.23 -13.62 46.32 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -81.82 -11.83 58.79 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.168 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 54' ' ' GLN . 0.6 OUTLIER -45.8 -58.93 5.31 Favored Pre-proline 0 C--N 1.292 -1.893 0 CA-C-N 115.01 -0.995 . . . . 0.0 113.573 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 8.3 Cg_exo -47.1 -42.45 26.21 Favored 'Trans proline' 0 C--N 1.321 -0.888 0 C-N-CA 120.292 0.661 . . . . 0.0 112.786 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.93 -60.82 2.02 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 119.109 -1.036 . . . . 0.0 112.778 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 58' ' ' LYS . 8.3 pt-20 -55.77 -42.06 74.96 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.161 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 42.9 tptt -58.71 -43.73 90.17 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.76 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.24 -53.01 62.97 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.19 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.13 -36.28 50.83 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.98 -29.91 69.88 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 119.655 -0.818 . . . . 0.0 111.589 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.51 -54.95 15.7 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.98 -16.59 63.21 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.155 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.04 -47.86 33.94 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 118.848 -1.141 . . . . 0.0 108.739 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.25 -30.56 60.3 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -78.03 -37.79 46.17 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.574 -1.193 . . . . 0.0 109.415 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 69' ' ' LYS . 77.9 t80 -54.66 -87.38 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.003 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.06 -12.47 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 67' ' ' TYR . 20.5 tptm -61.76 -45.5 93.65 Favored 'General case' 0 C--N 1.275 -2.639 0 C-N-CA 119.329 -0.949 . . . . 0.0 112.293 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.22 -13.56 15.11 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 120.077 -0.649 . . . . 0.0 112.54 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.576 ' N ' HD13 ' A' ' 71' ' ' ILE . 3.3 mm -63.38 -30.16 49.08 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 C-N-CA 119.669 -0.813 . . . . 0.0 111.948 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.87 -27.45 0.06 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.51 -0.876 . . . . 0.0 110.594 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ILE . . . -92.81 -36.24 12.97 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.152 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 19.1 t80 -64.09 176.42 1.0 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.078 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' CG ' ' A' ' 74' ' ' TYR . 25.3 ptt180 -105.34 -163.21 0.93 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.726 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.71 118.47 4.99 Favored 'General case' 0 C--N 1.309 -1.184 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 82.3 mttt . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 116.333 -1.794 . . . . 0.0 110.547 179.932 . . . . . . . . 0 0 . 1 stop_ save_