==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-MAR-12 4E02 . 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 . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 74.6 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 . 32 10.4 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 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 . 1 2 0 0 0 1 2 0 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 . 0 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 40 A L 0 0 158 0, 0.0 5,-0.3 0, 0.0 307,-0.1 0.000 360.0 360.0 360.0 162.3 4.8 -21.9 24.4 2 41 A T B > -A 5 0A 15 3,-3.7 3,-1.9 1,-0.1 2,-0.2 -0.657 360.0 -32.6-131.3-174.4 3.6 -21.6 20.8 3 42 A P T 3 S- 0 0 39 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.257 122.6 -30.8 -55.3 115.8 1.4 -19.0 19.1 4 43 A T T 3 S+ 0 0 137 -2,-0.2 2,-0.4 1,-0.1 0, 0.0 0.685 128.8 95.4 52.3 21.0 -1.3 -17.6 21.5 5 44 A M B < -A 2 0A 3 -3,-1.9 -3,-3.7 2,-0.0 2,-0.5 -1.000 62.9-151.3-147.3 131.9 -1.0 -21.1 23.1 6 45 A M - 0 0 90 -2,-0.4 2,-0.8 -5,-0.3 0, 0.0 -0.911 9.1-146.7-114.7 133.9 1.1 -22.4 25.9 7 46 A L - 0 0 10 -2,-0.5 2,-0.2 130,-0.0 127,-0.0 -0.868 31.5-128.9 -94.2 106.6 2.3 -26.0 26.4 8 47 A Y - 0 0 54 -2,-0.8 13,-0.0 1,-0.1 9,-0.0 -0.356 25.1-175.0 -61.2 123.0 2.2 -26.5 30.2 9 48 A S + 0 0 74 -2,-0.2 -1,-0.1 141,-0.1 141,-0.1 0.362 39.2 135.3 -97.2 4.2 5.5 -27.8 31.6 10 49 A G - 0 0 41 7,-0.1 2,-0.3 1,-0.1 11,-0.0 0.104 36.5-159.6 -55.4 163.4 4.1 -28.2 35.1 11 50 A R + 0 0 174 138,-0.0 2,-0.3 6,-0.0 -1,-0.1 -0.997 14.8 164.9-147.7 145.0 4.7 -31.1 37.5 12 51 A S - 0 0 52 -2,-0.3 3,-0.4 1,-0.1 6,-0.1 -0.895 32.2-150.7-163.7 129.4 2.9 -32.6 40.5 13 52 A Q S S+ 0 0 202 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.746 106.3 55.0 -73.5 -23.0 2.9 -35.9 42.4 14 53 A D S S- 0 0 130 1,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.689 113.7-122.7 -78.9 -19.3 -0.7 -35.2 43.4 15 54 A G >> + 0 0 12 -3,-0.4 3,-1.1 3,-0.0 4,-0.9 0.581 69.0 137.1 89.0 12.4 -1.5 -34.9 39.7 16 55 A S H 3> + 0 0 63 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.741 65.3 65.1 -60.9 -25.2 -3.0 -31.4 40.0 17 56 A H H 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.815 96.2 55.7 -69.6 -31.2 -1.1 -30.4 36.9 18 57 A L H <> S+ 0 0 16 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.863 108.2 48.3 -67.6 -36.8 -3.2 -32.8 34.8 19 58 A L H X S+ 0 0 41 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.896 111.7 48.5 -70.0 -41.9 -6.4 -31.1 36.0 20 59 A K H X S+ 0 0 97 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.924 113.9 47.3 -64.8 -42.4 -5.0 -27.6 35.3 21 60 A S H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.939 112.4 49.1 -62.1 -48.7 -3.9 -28.7 31.8 22 61 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.891 109.8 50.6 -59.9 -43.0 -7.3 -30.4 31.1 23 62 A R H X S+ 0 0 126 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.870 108.1 55.1 -63.1 -35.7 -9.2 -27.4 32.2 24 63 A Y H X S+ 0 0 18 -4,-1.8 4,-2.6 1,-0.2 3,-0.3 0.943 109.0 46.0 -61.7 -48.0 -7.0 -25.3 29.9 25 64 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.895 108.8 56.8 -58.2 -42.6 -7.9 -27.5 26.9 26 65 A Q H < S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.0 40.4 -60.1 -35.4 -11.6 -27.4 27.8 27 66 A Q H X S+ 0 0 127 -4,-1.6 4,-0.6 -3,-0.3 -1,-0.2 0.902 123.2 39.4 -75.7 -43.0 -11.4 -23.6 27.7 28 67 A E H X S+ 0 0 30 -4,-2.6 4,-1.8 -5,-0.2 5,-0.2 0.839 104.0 60.2 -83.8 -39.5 -9.3 -23.4 24.5 29 68 A L H X S+ 0 0 7 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.917 101.0 51.0 -66.6 -45.2 -10.4 -26.2 22.2 30 69 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.905 110.2 51.9 -59.5 -39.5 -14.1 -25.2 21.6 31 70 A V H X S+ 0 0 75 -4,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.918 112.3 44.4 -62.1 -44.4 -13.0 -21.6 20.7 32 71 A R H X S+ 0 0 27 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.881 112.9 50.2 -70.1 -38.4 -10.5 -22.7 18.1 33 72 A I H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.901 107.6 55.6 -63.9 -40.3 -12.8 -25.3 16.6 34 73 A A H X S+ 0 0 36 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.905 105.5 52.1 -57.9 -42.1 -15.4 -22.5 16.4 35 74 A H H X S+ 0 0 107 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.882 108.4 50.7 -60.0 -39.3 -13.0 -20.4 14.4 36 75 A R H X S+ 0 0 13 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.908 108.6 51.4 -65.4 -40.2 -12.4 -23.3 12.0 37 76 A I H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 107.8 52.4 -62.9 -41.2 -16.2 -23.7 11.5 38 77 A K H X S+ 0 0 140 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.894 105.0 56.8 -61.0 -40.1 -16.4 -20.0 10.7 39 78 A G H X S+ 0 0 18 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.914 108.5 46.2 -52.9 -46.6 -13.7 -20.6 8.1 40 79 A F H >< S+ 0 0 5 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.909 108.9 55.2 -64.6 -40.8 -15.9 -23.2 6.5 41 80 A R H 3< S+ 0 0 194 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 109.6 47.4 -63.3 -26.6 -19.0 -20.9 6.6 42 81 A S H 3< S+ 0 0 87 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.506 83.0 116.2 -95.5 -9.1 -17.0 -18.2 4.7 43 82 A L S << S- 0 0 17 -3,-0.9 5,-0.1 -4,-0.6 -3,-0.0 -0.318 87.2 -83.1 -54.4 144.0 -15.7 -20.4 2.0 44 83 A P >> - 0 0 30 0, 0.0 4,-2.5 0, 0.0 3,-1.2 -0.274 45.2-116.6 -47.4 130.6 -17.0 -19.5 -1.4 45 84 A F H 3> S+ 0 0 168 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.803 111.4 53.1 -37.6 -50.5 -20.4 -21.1 -1.8 46 85 A I H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.823 113.3 43.1 -68.9 -30.7 -19.4 -23.4 -4.7 47 86 A I H X4 S+ 0 0 0 -3,-1.2 3,-1.8 1,-0.2 6,-0.2 0.907 110.9 54.8 -74.5 -45.0 -16.5 -24.8 -2.8 48 87 A G H 3< S+ 0 0 15 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.727 101.8 60.5 -62.9 -22.1 -18.4 -25.2 0.4 49 88 A C T 3< S+ 0 0 61 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.567 75.2 114.8 -81.0 -13.4 -21.0 -27.2 -1.5 50 89 A N S <> S- 0 0 40 -3,-1.8 4,-2.9 -4,-0.2 5,-0.2 -0.401 71.9-131.4 -56.5 132.2 -18.4 -29.9 -2.5 51 90 A P H > S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.847 105.7 48.9 -62.0 -33.7 -19.4 -33.1 -0.7 52 91 A T H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.902 112.5 47.9 -71.7 -39.5 -15.9 -33.8 0.7 53 92 A I H > S+ 0 0 0 -6,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 111.1 52.2 -64.1 -41.0 -15.7 -30.2 2.0 54 93 A L H X S+ 0 0 70 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.913 106.6 53.6 -59.7 -43.4 -19.1 -30.6 3.5 55 94 A H H X S+ 0 0 81 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.917 112.1 43.5 -56.6 -46.1 -18.0 -33.8 5.2 56 95 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.916 111.4 54.4 -68.4 -40.8 -15.0 -32.0 6.8 57 96 A H H X S+ 0 0 32 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.955 110.4 47.5 -55.4 -49.8 -17.2 -29.1 7.7 58 97 A E H X S+ 0 0 85 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.854 105.8 58.4 -60.0 -38.5 -19.6 -31.5 9.5 59 98 A L H X S+ 0 0 20 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.939 108.1 46.0 -56.3 -48.6 -16.6 -33.2 11.3 60 99 A Y H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.865 110.4 53.1 -63.6 -38.2 -15.7 -29.9 12.9 61 100 A I H X S+ 0 0 61 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.931 110.5 47.9 -61.9 -44.7 -19.3 -29.2 13.8 62 101 A R H X S+ 0 0 105 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.894 110.2 52.2 -59.9 -42.7 -19.4 -32.6 15.5 63 102 A A H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.940 109.6 49.4 -59.9 -45.6 -16.1 -31.9 17.3 64 103 A F H X S+ 0 0 71 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.908 111.3 49.8 -60.1 -41.4 -17.5 -28.6 18.6 65 104 A Q H X S+ 0 0 100 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.916 113.4 44.8 -65.3 -43.8 -20.7 -30.3 19.8 66 105 A K H X S+ 0 0 71 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.901 114.0 49.7 -67.3 -40.4 -18.8 -33.1 21.6 67 106 A L H < S+ 0 0 7 -4,-2.8 3,-0.3 -5,-0.2 -2,-0.2 0.906 115.6 41.8 -66.8 -40.8 -16.3 -30.6 23.1 68 107 A T H < S+ 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.790 110.2 57.8 -80.2 -26.4 -19.0 -28.3 24.4 69 108 A D H < S+ 0 0 129 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.707 84.5 99.1 -71.1 -22.5 -21.3 -31.1 25.6 70 109 A F S < S- 0 0 42 -4,-1.0 3,-0.1 -3,-0.3 12,-0.0 -0.514 80.1-120.8 -70.5 129.6 -18.5 -32.4 27.9 71 110 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.286 40.0 -77.8 -70.4 158.3 -19.0 -31.2 31.5 72 111 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -49,-0.1 -0.274 51.6-112.6 -54.3 133.6 -16.5 -29.0 33.3 73 112 A I + 0 0 7 1,-0.2 3,-0.1 -3,-0.1 -50,-0.0 -0.573 50.1 154.5 -71.9 124.7 -13.5 -31.1 34.6 74 113 A K + 0 0 137 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.591 59.9 17.6-122.5 -23.8 -13.4 -31.2 38.4 75 114 A D S > S- 0 0 76 -56,-0.0 4,-2.2 1,-0.0 -1,-0.2 -0.865 84.5 -91.3-145.5 175.1 -11.6 -34.4 39.2 76 115 A Q H > S+ 0 0 86 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.840 121.2 58.4 -62.9 -34.0 -9.2 -37.1 37.8 77 116 A A H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 109.0 44.5 -60.2 -44.6 -12.2 -39.2 36.7 78 117 A D H > S+ 0 0 39 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.930 113.6 50.3 -62.5 -46.3 -13.5 -36.4 34.5 79 118 A E H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.891 107.7 54.2 -61.3 -41.3 -10.0 -35.6 33.2 80 119 A A H X S+ 0 0 38 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.905 110.6 45.0 -60.0 -45.3 -9.5 -39.3 32.3 81 120 A Q H X S+ 0 0 121 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.868 107.4 58.9 -68.8 -37.1 -12.7 -39.4 30.2 82 121 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.902 101.5 55.6 -55.9 -40.1 -11.9 -36.1 28.6 83 122 A C H X S+ 0 0 9 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.874 103.3 55.1 -62.5 -38.3 -8.7 -37.7 27.3 84 123 A Q H X S+ 0 0 117 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.912 109.2 47.1 -56.5 -45.1 -10.8 -40.5 25.7 85 124 A L H X S+ 0 0 18 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.950 111.8 50.3 -62.2 -47.6 -12.7 -37.7 23.8 86 125 A V H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.897 110.9 49.3 -58.4 -41.2 -9.5 -36.0 22.8 87 126 A R H X S+ 0 0 126 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.904 109.8 51.4 -63.8 -44.9 -8.1 -39.3 21.5 88 127 A Q H X S+ 0 0 92 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.925 112.3 46.1 -56.9 -46.7 -11.3 -40.0 19.5 89 128 A L H X S+ 0 0 23 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.915 109.3 53.6 -65.8 -44.8 -11.2 -36.6 17.9 90 129 A L H < S+ 0 0 26 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.931 116.1 41.5 -53.3 -45.1 -7.4 -36.8 17.1 91 130 A D H >< S+ 0 0 97 -4,-2.1 3,-1.5 1,-0.2 4,-0.2 0.908 111.6 53.2 -69.0 -45.1 -8.2 -40.2 15.3 92 131 A D H 3< S+ 0 0 71 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.799 115.6 42.6 -61.8 -28.2 -11.5 -39.0 13.6 93 132 A H T >< S+ 0 0 14 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.3 0.199 79.3 108.2-103.4 13.3 -9.6 -36.1 12.1 94 133 A K T < S+ 0 0 107 -3,-1.5 3,-0.2 1,-0.3 4,-0.2 0.753 82.9 44.4 -69.1 -22.3 -6.4 -37.8 11.0 95 134 A D T 3> S+ 0 0 80 -3,-0.3 4,-2.3 -4,-0.2 -1,-0.3 0.174 78.3 111.7-104.4 18.9 -7.2 -37.6 7.3 96 135 A V H <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.876 74.6 52.7 -63.4 -40.2 -8.4 -34.0 7.3 97 136 A V H > S+ 0 0 32 -4,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.947 112.5 46.4 -60.5 -44.4 -5.5 -32.7 5.2 98 137 A T H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.895 112.2 49.6 -63.3 -43.5 -6.1 -35.3 2.6 99 138 A L H X S+ 0 0 49 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.891 112.9 46.7 -65.4 -41.2 -9.8 -34.7 2.5 100 139 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.924 110.1 53.8 -66.3 -43.7 -9.4 -31.0 2.1 101 140 A A H X S+ 0 0 1 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.940 116.1 39.2 -53.9 -48.9 -6.7 -31.5 -0.6 102 141 A E H X S+ 0 0 78 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.912 115.2 51.4 -68.1 -45.2 -9.2 -33.7 -2.6 103 142 A G H X S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.841 116.5 41.5 -62.4 -32.1 -12.3 -31.5 -1.8 104 143 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.656 90.1 91.0 -90.3 -17.7 -10.5 -28.4 -3.0 105 144 A R H < S+ 0 0 97 -4,-1.1 4,-0.2 -3,-0.3 -1,-0.2 0.880 105.6 11.8 -48.6 -55.2 -8.7 -29.9 -6.0 106 145 A E H >< S+ 0 0 92 -4,-0.6 3,-2.2 -3,-0.1 4,-0.3 0.907 122.2 60.8 -91.8 -50.3 -11.4 -29.1 -8.6 107 146 A S H >X S+ 0 0 11 -4,-0.5 3,-1.0 1,-0.3 4,-0.6 0.722 96.3 63.8 -52.8 -26.4 -13.8 -26.7 -6.8 108 147 A R T 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.2 3,-0.1 0.785 88.1 70.5 -69.9 -24.2 -11.0 -24.2 -6.3 109 148 A K T <4 S+ 0 0 134 -3,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.624 89.9 64.2 -69.9 -13.2 -10.7 -23.7 -10.1 110 149 A H T <4 S+ 0 0 116 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.962 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