data_2j53_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 2j53 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.702 ' H1 ' ' CD ' ' A' ' 19' ' ' GLU . 11.6 mmt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.321 0.581 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 m -57.31 131.23 49.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.977 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -142.28 139.38 31.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 0.0 110.048 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.557 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 20.7 ttpp -130.98 141.25 50.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.092 -1.005 . . . . 0.0 110.077 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 tt -130.9 137.66 49.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.511 -0.743 . . . . 0.0 109.735 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.434 HG12 ' HZ3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -94.87 103.73 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.519 -0.738 . . . . 0.0 109.199 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 1.2 mp -77.57 82.95 3.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.782 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 55' ' ' THR . 12.1 t30 -95.53 66.41 2.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.044 -1.035 . . . . 0.0 109.01 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.635 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . -62.04 177.65 5.27 Favored Glycine 0 N--CA 1.497 2.751 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.659 ' HZ3' ' C ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -56.05 -57.59 11.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.588 -1.536 . . . . 0.0 108.57 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -111.0 -33.15 6.58 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.62 99.42 2.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 109.456 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.635 ' NZ ' ' O ' ' A' ' 9' ' ' GLY . 2.3 mptt -108.69 124.65 50.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.16 -0.962 . . . . 0.0 109.062 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 7' ' ' LEU . . . -161.87 138.82 5.61 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.365 -1.398 . . . . 0.0 110.684 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' OE1' ' NZ ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -97.19 146.68 24.84 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 p -148.61 147.16 28.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.739 -1.225 . . . . 0.0 111.117 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -123.44 159.07 29.8 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -166.43 -174.64 2.93 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.086 -1.008 . . . . 0.0 110.233 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.702 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -126.61 177.3 6.61 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 19' ' ' GLU . . . 168.4 156.85 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.67 -0.644 . . . . 0.0 109.4 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 ' CG2' ' H ' ' A' ' 22' ' ' ASP . 7.6 m -64.69 -60.36 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.816 -1.178 . . . . 0.0 109.588 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' H ' ' CG2' ' A' ' 21' ' ' VAL . 3.1 p30 -113.9 -165.46 1.01 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.342 -0.849 . . . . 0.0 110.141 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.08 -29.8 20.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.16 -0.963 . . . . 0.0 109.02 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.21 97.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.1 m -64.91 -49.06 71.89 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.09 56.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 3.3 tm-20 -54.34 -45.42 72.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.441 -0.787 . . . . 0.0 109.088 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.45 -53.56 56.12 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.63 -46.49 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -64.92 -47.44 77.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.393 -0.817 . . . . 0.0 108.945 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -54.75 -49.7 70.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.357 -0.839 . . . . 0.0 109.661 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -54.6 -67.45 0.27 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.598 -0.689 . . . . 0.0 109.143 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -48.62 -48.82 39.12 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.598 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.97 -51.84 66.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.107 -0.995 . . . . 0.0 108.488 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.44 -48.7 78.48 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -53.01 -41.28 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.13 2.12 21.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.0 109.611 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.36 25.97 62.44 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.9 t -115.28 128.75 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.553 -0.969 . . . . 0.0 110.454 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CG ' ' HE1' ' A' ' 43' ' ' TRP . 9.3 t70 -172.47 -142.59 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.487 -0.758 . . . . 0.0 108.995 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.81 -92.15 1.48 Allowed Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.19 145.99 24.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -1.133 . . . . 0.0 109.538 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CZ2' ' HA ' ' A' ' 31' ' ' LYS . 24.9 m95 -137.05 97.39 3.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.252 -0.905 . . . . 0.0 110.293 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.57 149.05 38.84 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.118 -0.988 . . . . 0.0 110.09 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -158.71 142.69 15.43 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.0 -1.062 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.78 153.61 40.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.063 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.66 -21.44 18.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.81 -51.9 23.89 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.7 p -80.53 -15.43 56.71 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt 58.06 23.79 10.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.648 -0.657 . . . . 0.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -114.53 148.49 37.87 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -96.54 153.83 17.62 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.359 -0.838 . . . . 0.0 109.793 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 p -139.23 138.48 36.87 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.037 -1.039 . . . . 0.0 109.802 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 55' ' ' THR . 2.4 t -142.95 155.48 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.231 -0.918 . . . . 0.0 109.4 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.408 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 53.2 m -163.59 148.96 11.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.15 -0.969 . . . . 0.0 109.838 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.659 ' C ' ' HZ3' ' A' ' 10' ' ' LYS . 46.8 mt-10 . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.875 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.614 ' H2 ' ' CD ' ' A' ' 19' ' ' GLU . 11.6 mmt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.321 0.581 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 m -57.31 131.23 49.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.977 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 11.5 m-85 -142.28 139.38 31.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 0.0 110.048 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.686 ' HG3' HG22 ' A' ' 17' ' ' THR . 20.7 ttpp -130.98 141.25 50.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.092 -1.005 . . . . 0.0 110.077 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 30' ' ' PHE . 8.9 tt -130.9 137.66 49.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.511 -0.743 . . . . 0.0 109.735 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.482 HG12 ' HZ1' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -94.87 103.73 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.519 -0.738 . . . . 0.0 109.199 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 1.2 mp -77.57 82.95 3.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.782 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 55' ' ' THR . 12.1 t30 -95.53 66.41 2.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.044 -1.035 . . . . 0.0 109.01 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.635 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . -62.04 177.65 5.27 Favored Glycine 0 N--CA 1.497 2.751 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.566 ' NZ ' ' C ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -56.05 -57.59 11.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.588 -1.536 . . . . 0.0 108.57 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -111.0 -33.15 6.58 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' C ' HD23 ' A' ' 12' ' ' LEU . 5.5 tt -72.62 99.42 2.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 109.456 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.635 ' NZ ' ' O ' ' A' ' 9' ' ' GLY . 2.3 mptt -108.69 124.65 50.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.16 -0.962 . . . . 0.0 109.062 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 7' ' ' LEU . . . -161.87 138.82 5.61 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.365 -1.398 . . . . 0.0 110.684 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' OE1' ' NZ ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -97.19 146.68 24.84 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.436 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 p -148.61 147.16 28.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.739 -1.225 . . . . 0.0 111.117 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.686 HG22 ' HG3' ' A' ' 4' ' ' LYS . 11.6 p -123.44 159.07 29.8 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.534 HG22 ' CE2' ' A' ' 30' ' ' PHE . 8.5 t -166.43 -174.64 2.93 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.086 -1.008 . . . . 0.0 110.233 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -126.61 177.3 6.61 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 168.4 156.85 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.67 -0.644 . . . . 0.0 109.4 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.719 HG23 ' H ' ' A' ' 22' ' ' ASP . 7.6 m -64.69 -60.36 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.816 -1.178 . . . . 0.0 109.588 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.719 ' H ' HG23 ' A' ' 21' ' ' VAL . 3.1 p30 -113.9 -165.46 1.01 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.342 -0.849 . . . . 0.0 110.141 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -88.08 -29.8 20.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.16 -0.963 . . . . 0.0 109.02 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -62.29 -44.21 97.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.1 m -64.91 -49.06 71.89 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.09 56.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 3.3 tm-20 -54.34 -45.42 72.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.441 -0.787 . . . . 0.0 109.088 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.45 -53.56 56.12 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.63 -46.49 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.62 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.8 m-85 -64.92 -47.44 77.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.393 -0.817 . . . . 0.0 108.945 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' NZ ' ' OE2' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -54.75 -49.7 70.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.357 -0.839 . . . . 0.0 109.661 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -54.6 -67.45 0.27 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.598 -0.689 . . . . 0.0 109.143 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -48.62 -48.82 39.12 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.598 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.97 -51.84 66.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.107 -0.995 . . . . 0.0 108.488 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.44 -48.7 78.48 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -53.01 -41.28 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.13 2.12 21.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.0 109.611 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.36 25.97 62.44 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 HD23 ' A' ' 7' ' ' LEU . 42.9 t -115.28 128.75 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.553 -0.969 . . . . 0.0 110.454 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' CG ' ' HE1' ' A' ' 43' ' ' TRP . 9.3 t70 -172.47 -142.59 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.487 -0.758 . . . . 0.0 108.995 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.81 -92.15 1.48 Allowed Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.19 145.99 24.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -1.133 . . . . 0.0 109.538 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 31' ' ' LYS . 24.9 m95 -137.05 97.39 3.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.252 -0.905 . . . . 0.0 110.293 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.482 HG23 ' OG1' ' A' ' 53' ' ' THR . 0.5 OUTLIER -115.57 149.05 38.84 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.118 -0.988 . . . . 0.0 110.09 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -158.71 142.69 15.43 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.0 -1.062 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.78 153.61 40.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.063 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.66 -21.44 18.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.81 -51.9 23.89 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.7 p -80.53 -15.43 56.71 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt 58.06 23.79 10.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.648 -0.657 . . . . 0.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -114.53 148.49 37.87 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' HB3' HD12 ' A' ' 5' ' ' LEU . 18.2 m-85 -96.54 153.83 17.62 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.359 -0.838 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.482 ' OG1' HG23 ' A' ' 44' ' ' THR . 18.0 p -139.23 138.48 36.87 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.037 -1.039 . . . . 0.0 109.802 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' HB ' HD21 ' A' ' 5' ' ' LEU . 2.4 t -142.95 155.48 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.231 -0.918 . . . . 0.0 109.4 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 53.2 m -163.59 148.96 11.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.15 -0.969 . . . . 0.0 109.838 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' C ' ' NZ ' ' A' ' 10' ' ' LYS . 46.8 mt-10 . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.875 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.614 ' H2 ' ' CD ' ' A' ' 19' ' ' GLU . 11.6 mmt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.321 0.581 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 m -57.31 131.23 49.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.291 -0.881 . . . . 0.0 109.977 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 11.5 m-85 -142.28 139.38 31.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.266 -0.896 . . . . 0.0 110.048 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.686 ' HG3' HG22 ' A' ' 17' ' ' THR . 20.7 ttpp -130.98 141.25 50.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.092 -1.005 . . . . 0.0 110.077 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 30' ' ' PHE . 8.9 tt -130.9 137.66 49.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.511 -0.743 . . . . 0.0 109.735 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.482 HG12 ' HZ1' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -94.87 103.73 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.519 -0.738 . . . . 0.0 109.199 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 1.2 mp -77.57 82.95 3.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.038 -1.039 . . . . 0.0 109.782 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 55' ' ' THR . 12.1 t30 -95.53 66.41 2.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.044 -1.035 . . . . 0.0 109.01 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.635 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . -62.04 177.65 5.27 Favored Glycine 0 N--CA 1.497 2.751 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.566 ' NZ ' ' C ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -56.05 -57.59 11.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.588 -1.536 . . . . 0.0 108.57 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -111.0 -33.15 6.58 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' C ' HD23 ' A' ' 12' ' ' LEU . 5.5 tt -72.62 99.42 2.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.537 -0.727 . . . . 0.0 109.456 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.635 ' NZ ' ' O ' ' A' ' 9' ' ' GLY . 2.3 mptt -108.69 124.65 50.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.16 -0.962 . . . . 0.0 109.062 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 7' ' ' LEU . . . -161.87 138.82 5.61 Favored Glycine 0 N--CA 1.496 2.65 0 C-N-CA 119.365 -1.398 . . . . 0.0 110.684 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' OE1' ' NZ ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -97.19 146.68 24.84 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 p -148.61 147.16 28.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.739 -1.225 . . . . 0.0 111.117 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.686 HG22 ' HG3' ' A' ' 4' ' ' LYS . 11.6 p -123.44 159.07 29.8 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.534 HG22 ' CE2' ' A' ' 30' ' ' PHE . 8.5 t -166.43 -174.64 2.93 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.086 -1.008 . . . . 0.0 110.233 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -126.61 177.3 6.61 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . 168.4 156.85 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.67 -0.644 . . . . 0.0 109.4 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.719 HG23 ' H ' ' A' ' 22' ' ' ASP . 7.6 m -64.69 -60.36 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.816 -1.178 . . . . 0.0 109.588 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.719 ' H ' HG23 ' A' ' 21' ' ' VAL . 3.1 p30 -113.9 -165.46 1.01 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.342 -0.849 . . . . 0.0 110.141 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -88.08 -29.8 20.36 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.16 -0.963 . . . . 0.0 109.02 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -62.29 -44.21 97.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.302 -0.874 . . . . 0.0 109.087 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.1 m -64.91 -49.06 71.89 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.62 -53.09 56.83 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 3.3 tm-20 -54.34 -45.42 72.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.441 -0.787 . . . . 0.0 109.088 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.45 -53.56 56.12 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.63 -46.49 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.62 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.8 m-85 -64.92 -47.44 77.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.393 -0.817 . . . . 0.0 108.945 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' NZ ' ' OE2' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -54.75 -49.7 70.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.357 -0.839 . . . . 0.0 109.661 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -54.6 -67.45 0.27 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.598 -0.689 . . . . 0.0 109.143 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -48.62 -48.82 39.12 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.598 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.97 -51.84 66.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.107 -0.995 . . . . 0.0 108.488 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.44 -48.7 78.48 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -53.01 -41.28 64.5 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.13 2.12 21.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.0 109.611 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.36 25.97 62.44 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 HD23 ' A' ' 7' ' ' LEU . 42.9 t -115.28 128.75 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.553 -0.969 . . . . 0.0 110.454 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' CG ' ' HE1' ' A' ' 43' ' ' TRP . 9.3 t70 -172.47 -142.59 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.487 -0.758 . . . . 0.0 108.995 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.81 -92.15 1.48 Allowed Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.19 145.99 24.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -1.133 . . . . 0.0 109.538 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 31' ' ' LYS . 24.9 m95 -137.05 97.39 3.49 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.252 -0.905 . . . . 0.0 110.293 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.482 HG23 ' OG1' ' A' ' 53' ' ' THR . 0.5 OUTLIER -115.57 149.05 38.84 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.118 -0.988 . . . . 0.0 110.09 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -158.71 142.69 15.43 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.0 -1.062 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.78 153.61 40.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.063 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.66 -21.44 18.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.322 -0.861 . . . . 0.0 110.261 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.81 -51.9 23.89 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.7 p -80.53 -15.43 56.71 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt 58.06 23.79 10.45 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.648 -0.657 . . . . 0.0 110.44 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -114.53 148.49 37.87 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' HB3' HD12 ' A' ' 5' ' ' LEU . 18.2 m-85 -96.54 153.83 17.62 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.359 -0.838 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.482 ' OG1' HG23 ' A' ' 44' ' ' THR . 18.0 p -139.23 138.48 36.87 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.037 -1.039 . . . . 0.0 109.802 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' HB ' HD21 ' A' ' 5' ' ' LEU . 2.4 t -142.95 155.48 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.231 -0.918 . . . . 0.0 109.4 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 53.2 m -163.59 148.96 11.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.15 -0.969 . . . . 0.0 109.838 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' C ' ' NZ ' ' A' ' 10' ' ' LYS . 46.8 mt-10 . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.875 -179.633 . . . . . . . . 1 1 . 1 stop_ save_