==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-SEP-11 3TZ0 . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.C.TSO,J.L.CHUANG,W.J.GUI,R.M.WYNN,J.LI,D.T.CHUANG . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 46.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 1 0 1 1 1 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 38 A V 0 0 106 0, 0.0 2,-0.2 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 94.6 5.1 -23.9 31.0 2 39 A R - 0 0 63 2,-0.0 7,-3.9 301,-0.0 2,-0.4 -0.829 360.0-130.9 173.2 155.2 6.3 -23.5 27.3 3 40 A L E -A 8 0A 81 300,-0.5 300,-0.4 5,-0.3 5,-0.2 -0.940 24.1-172.3-142.1 144.0 4.8 -22.3 24.1 4 41 A T E > S-A 7 0A 13 3,-2.5 3,-0.8 -2,-0.4 2,-0.5 -0.373 80.2 -45.4 -93.1-174.5 4.0 -22.5 20.4 5 42 A P T 3 S- 0 0 44 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.447 124.2 -24.7 -66.3 114.3 2.5 -19.3 18.8 6 43 A T T 3 S+ 0 0 118 -2,-0.5 2,-0.4 1,-0.1 -3,-0.0 0.453 123.2 99.8 63.1 3.4 -0.2 -18.1 21.3 7 44 A M E < -A 4 0A 1 -3,-0.8 -3,-2.5 2,-0.0 2,-0.5 -0.959 64.6-140.9-121.8 140.8 -0.6 -21.7 22.6 8 45 A M E -A 3 0A 84 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.851 4.7-158.7-106.6 123.1 1.0 -23.0 25.8 9 46 A L - 0 0 1 -7,-3.9 2,-0.6 -2,-0.5 127,-0.1 -0.882 26.2-128.6 -94.3 126.4 2.4 -26.5 26.2 10 47 A Y - 0 0 52 -2,-0.5 2,-0.8 -9,-0.2 13,-0.0 -0.630 20.0-170.1 -83.6 115.4 2.5 -27.5 29.9 11 48 A S + 0 0 55 -2,-0.6 2,-0.3 141,-0.1 141,-0.0 -0.909 37.5 146.6 -96.7 105.7 5.8 -28.8 31.4 12 49 A G - 0 0 29 -2,-0.8 2,-0.4 2,-0.0 -2,-0.0 -0.948 39.2-155.9-145.5 159.6 4.6 -30.1 34.8 13 50 A R + 0 0 237 -2,-0.3 2,-0.3 6,-0.0 -2,-0.0 -0.983 20.3 156.5-141.1 125.9 5.1 -32.6 37.5 14 51 A S - 0 0 40 -2,-0.4 3,-0.4 1,-0.1 6,-0.1 -0.894 26.7-161.3-150.2 119.7 2.5 -33.8 40.1 15 52 A Q S S+ 0 0 215 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.747 102.0 50.4 -71.8 -24.0 2.6 -37.2 41.9 16 53 A D S S- 0 0 130 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.662 120.6-113.8 -79.5 -18.9 -1.1 -36.7 42.7 17 54 A G S > S+ 0 0 11 -3,-0.4 4,-0.8 3,-0.0 3,-0.3 0.751 70.7 142.9 87.0 29.5 -1.6 -36.0 39.0 18 55 A S H > + 0 0 59 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.817 66.2 58.9 -68.9 -32.3 -2.6 -32.4 39.7 19 56 A H H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.772 98.6 59.5 -68.9 -27.5 -0.9 -31.2 36.6 20 57 A L H > S+ 0 0 19 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.839 106.2 47.1 -70.9 -35.3 -3.1 -33.5 34.4 21 58 A L H X S+ 0 0 44 -4,-0.8 4,-2.2 -3,-0.3 -2,-0.2 0.872 112.8 48.4 -71.8 -40.5 -6.2 -31.7 35.7 22 59 A K H X S+ 0 0 102 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.919 115.9 44.0 -67.5 -42.9 -4.8 -28.3 35.1 23 60 A S H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.891 112.9 52.7 -65.8 -41.1 -3.7 -29.2 31.6 24 61 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.892 109.5 48.1 -61.8 -42.1 -7.0 -31.0 30.9 25 62 A R H X S+ 0 0 123 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.825 112.3 49.8 -71.1 -30.7 -9.0 -27.9 31.9 26 63 A Y H >X S+ 0 0 28 -4,-1.6 4,-2.2 2,-0.2 3,-0.7 0.961 111.5 47.3 -67.5 -52.7 -6.8 -25.7 29.8 27 64 A L H 3X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.835 109.2 56.5 -55.9 -34.7 -7.2 -28.0 26.7 28 65 A Q H 3< S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.817 112.2 39.6 -72.4 -30.1 -10.9 -28.1 27.4 29 66 A Q H S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.905 111.6 52.3 -59.8 -40.8 -13.6 -25.3 21.2 33 70 A V H X S+ 0 0 76 -4,-0.7 4,-1.4 1,-0.2 -2,-0.2 0.904 114.0 42.8 -61.2 -42.2 -12.4 -21.7 20.7 34 71 A R H X S+ 0 0 39 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.825 111.8 52.9 -77.5 -29.9 -9.9 -22.9 18.1 35 72 A I H X S+ 0 0 10 -4,-2.7 4,-2.1 -5,-0.2 3,-0.2 0.925 106.8 54.3 -67.9 -39.3 -12.2 -25.3 16.4 36 73 A A H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.877 103.9 55.0 -60.1 -40.3 -14.7 -22.4 16.1 37 74 A H H X S+ 0 0 105 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.851 107.3 50.8 -59.3 -36.8 -12.1 -20.4 14.3 38 75 A R H X S+ 0 0 21 -4,-1.3 4,-1.6 -3,-0.2 -2,-0.2 0.888 106.7 53.8 -67.4 -39.0 -11.7 -23.2 11.9 39 76 A I H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 106.3 52.6 -60.0 -44.3 -15.5 -23.2 11.3 40 77 A K H X S+ 0 0 120 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.914 103.8 57.8 -56.8 -43.6 -15.3 -19.5 10.5 41 78 A G H < S+ 0 0 12 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.891 109.6 43.7 -51.7 -45.4 -12.6 -20.2 7.9 42 79 A F H >< S+ 0 0 6 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.843 110.6 56.2 -68.0 -35.0 -15.0 -22.6 6.1 43 80 A R H 3< S+ 0 0 157 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.808 107.0 49.4 -67.2 -28.4 -17.8 -20.2 6.4 44 81 A S T 3< S+ 0 0 91 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.441 84.3 116.2 -97.8 0.6 -15.9 -17.5 4.7 45 82 A L S < S- 0 0 17 -3,-0.8 -3,-0.0 -4,-0.3 74,-0.0 -0.345 85.5 -86.4 -59.4 145.8 -14.8 -19.7 1.7 46 83 A P >> - 0 0 43 0, 0.0 4,-2.9 0, 0.0 3,-0.7 -0.341 43.7-119.1 -51.0 133.3 -16.2 -18.6 -1.6 47 84 A F H 3> S+ 0 0 165 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.845 109.9 54.8 -42.7 -50.5 -19.6 -20.2 -1.9 48 85 A I H 34 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.856 115.2 39.3 -62.0 -38.0 -18.7 -22.3 -5.0 49 86 A I H X4 S+ 0 0 3 -3,-0.7 3,-1.7 1,-0.2 -2,-0.2 0.928 111.6 56.0 -74.2 -49.1 -15.7 -23.9 -3.3 50 87 A G H 3< S+ 0 0 15 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.666 102.8 60.8 -55.2 -16.4 -17.4 -24.2 0.1 51 88 A C T 3< S+ 0 0 61 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.672 72.9 116.2 -88.0 -21.9 -20.1 -26.2 -1.8 52 89 A N S <> S- 0 0 18 -3,-1.7 4,-3.2 -4,-0.4 5,-0.2 -0.276 73.2-127.1 -48.4 128.9 -17.7 -29.0 -2.9 53 90 A P H > S+ 0 0 99 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.779 107.0 44.6 -55.7 -34.5 -18.9 -32.2 -1.3 54 91 A T H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.871 114.1 48.1 -79.1 -42.0 -15.5 -33.1 0.2 55 92 A I H > S+ 0 0 0 -6,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 112.9 50.7 -59.4 -42.2 -14.8 -29.5 1.5 56 93 A L H X S+ 0 0 69 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.894 107.4 53.5 -64.0 -39.3 -18.4 -29.7 2.9 57 94 A H H X S+ 0 0 88 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.930 110.2 45.7 -60.2 -47.0 -17.5 -33.0 4.6 58 95 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.891 110.5 54.7 -63.6 -39.1 -14.4 -31.6 6.3 59 96 A H H X S+ 0 0 29 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 108.3 49.9 -56.8 -45.8 -16.5 -28.5 7.3 60 97 A E H X S+ 0 0 111 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.821 103.2 58.9 -66.7 -32.8 -18.9 -31.0 8.9 61 98 A L H X S+ 0 0 21 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.954 106.9 49.0 -58.5 -47.0 -16.1 -32.8 10.8 62 99 A Y H X S+ 0 0 5 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.922 110.4 48.2 -61.5 -45.6 -15.3 -29.5 12.5 63 100 A I H X S+ 0 0 62 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.959 114.0 48.5 -56.2 -51.8 -18.9 -28.7 13.5 64 101 A R H X S+ 0 0 80 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.907 111.5 50.0 -53.2 -44.8 -19.2 -32.2 14.8 65 102 A A H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.946 111.1 48.8 -60.8 -49.1 -15.9 -31.8 16.7 66 103 A F H X S+ 0 0 70 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.836 111.2 51.1 -60.5 -34.1 -17.0 -28.5 18.2 67 104 A Q H X S+ 0 0 103 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.980 112.6 43.3 -68.2 -54.5 -20.4 -30.1 19.2 68 105 A K H X S+ 0 0 66 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.899 116.5 50.2 -57.0 -41.4 -18.8 -33.1 21.0 69 106 A L H < S+ 0 0 5 -4,-2.7 3,-0.4 -5,-0.3 -1,-0.2 0.923 113.8 41.8 -64.0 -46.6 -16.2 -30.8 22.6 70 107 A T H < S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.797 110.9 58.9 -75.3 -25.1 -18.7 -28.2 23.9 71 108 A D H < S+ 0 0 122 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.735 82.0 98.4 -72.6 -24.1 -21.0 -31.0 25.0 72 109 A F S < S- 0 0 44 -4,-1.1 3,-0.1 -3,-0.4 -3,-0.0 -0.488 80.9-123.5 -66.2 131.9 -18.3 -32.4 27.3 73 110 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.293 38.0 -78.5 -73.3 164.7 -19.0 -31.2 30.8 74 111 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -49,-0.1 -0.173 48.5-110.3 -59.9 157.9 -16.4 -29.3 32.7 75 112 A I + 0 0 6 1,-0.1 3,-0.1 -54,-0.1 -50,-0.0 -0.825 45.6 158.4 -96.7 118.5 -13.6 -31.3 34.4 76 113 A K + 0 0 154 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.381 64.7 16.6-118.5 -1.6 -13.8 -31.4 38.2 77 114 A D S > S- 0 0 72 1,-0.1 4,-1.9 -56,-0.1 3,-0.4 -0.970 84.5 -90.8-160.1 174.0 -11.7 -34.6 38.8 78 115 A Q H > S+ 0 0 83 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.850 118.7 59.3 -58.7 -36.5 -9.3 -37.1 37.4 79 116 A A H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 105.6 47.3 -66.7 -38.6 -12.1 -39.4 36.2 80 117 A D H > S+ 0 0 43 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.973 110.3 52.4 -62.1 -53.4 -13.5 -36.6 34.0 81 118 A E H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.869 106.1 56.1 -51.8 -39.0 -10.1 -35.8 32.6 82 119 A A H X S+ 0 0 37 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.946 111.2 40.8 -61.3 -50.8 -9.6 -39.5 31.7 83 120 A Q H X S+ 0 0 124 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.886 109.8 59.7 -65.1 -38.9 -12.8 -39.7 29.6 84 121 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.920 102.8 53.9 -52.1 -43.2 -12.1 -36.3 28.1 85 122 A C H X S+ 0 0 4 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.876 103.9 55.1 -58.3 -41.3 -8.8 -37.9 26.8 86 123 A Q H X S+ 0 0 115 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.925 109.8 46.2 -58.6 -46.0 -10.8 -40.6 25.2 87 124 A L H X S+ 0 0 22 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.969 112.4 49.4 -59.3 -54.1 -12.8 -38.0 23.3 88 125 A V H X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.907 110.6 51.1 -54.9 -43.2 -9.7 -36.1 22.3 89 126 A R H X S+ 0 0 110 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.932 109.6 49.9 -58.2 -47.4 -8.1 -39.3 21.1 90 127 A Q H X S+ 0 0 82 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.922 111.8 48.8 -58.1 -46.3 -11.2 -40.2 19.0 91 128 A L H X S+ 0 0 15 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.926 106.2 55.2 -59.4 -46.8 -11.2 -36.7 17.4 92 129 A L H < S+ 0 0 26 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.895 113.8 43.0 -55.6 -38.8 -7.5 -36.8 16.6 93 130 A D H >< S+ 0 0 92 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.900 110.9 53.0 -72.6 -45.6 -8.2 -40.1 14.7 94 131 A D H 3< S+ 0 0 50 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.853 115.3 43.5 -55.2 -35.4 -11.4 -38.8 13.0 95 132 A H T >< S+ 0 0 14 -4,-2.5 3,-1.1 -5,-0.2 4,-0.3 0.189 82.1 104.6 -96.0 15.7 -9.4 -35.8 11.8 96 133 A K T < S+ 0 0 109 -3,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.832 82.9 44.4 -72.3 -28.7 -6.3 -37.7 10.7 97 134 A D T >> S+ 0 0 85 -3,-0.4 4,-2.4 -4,-0.3 3,-0.7 0.298 79.7 110.7 -92.4 5.6 -7.0 -37.5 6.9 98 135 A V H <> S+ 0 0 0 -3,-1.1 4,-2.5 1,-0.3 5,-0.2 0.886 74.7 51.4 -55.6 -49.3 -8.1 -33.8 6.9 99 136 A V H 3> S+ 0 0 24 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.3 0.860 113.5 47.5 -51.2 -38.0 -5.0 -32.4 4.9 100 137 A T H <> S+ 0 0 76 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.908 109.8 50.5 -76.5 -42.2 -5.7 -35.1 2.3 101 138 A L H X S+ 0 0 33 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.849 111.5 49.8 -59.9 -38.6 -9.4 -34.4 2.1 102 139 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.953 108.2 51.2 -66.4 -50.0 -8.7 -30.7 1.6 103 140 A A H X S+ 0 0 8 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.838 116.0 43.8 -57.7 -34.2 -6.2 -31.2 -1.1 104 141 A E H X S+ 0 0 77 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.931 111.3 50.9 -74.6 -50.7 -8.7 -33.4 -2.9 105 142 A G H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.877 112.6 48.2 -55.6 -40.0 -11.7 -31.1 -2.4 106 143 A L H < S+ 0 0 12 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.779 107.8 54.2 -75.1 -28.4 -9.8 -28.2 -3.7 107 144 A R H >< S+ 0 0 123 -4,-0.9 3,-1.6 -3,-0.3 4,-0.3 0.911 107.4 49.9 -69.2 -44.2 -8.5 -30.1 -6.8 108 145 A E H 3< S+ 0 0 99 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.797 115.3 48.3 -57.1 -24.7 -12.1 -31.0 -7.7 109 146 A S T >< S+ 0 0 3 -4,-0.7 3,-0.7 -5,-0.3 4,-0.3 0.248 77.7 109.4-105.0 9.4 -12.7 -27.3 -7.3 110 147 A R G X S+ 0 0 170 -3,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.874 73.3 55.2 -55.2 -48.1 -9.7 -25.9 -9.3 111 148 A K G 3 S+ 0 0 143 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.792 105.8 52.3 -59.9 -31.4 -11.7 -24.5 -12.2 112 149 A H G < S+ 0 0 83 -3,-0.7 2,-0.7 -64,-0.1 -1,-0.3 0.456 81.3 111.4 -88.8 -1.4 -13.9 -22.3 -10.0 113 150 A I < + 0 0 33 -3,-1.6 3,-0.1 -4,-0.3 -3,-0.0 -0.648 29.8 159.4 -79.1 115.1 -10.9 -20.7 -8.2 114 151 A E + 0 0 172 -2,-0.7 2,-0.7 1,-0.3 -1,-0.2 0.842 67.3 43.3 -99.5 -51.6 -10.7 -17.1 -9.2 115 152 A D > - 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