==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JAN-06 2FOR . COMPND 2 MOLECULE: GERANYLTRANSTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR G.MINASOV,J.S.BRUNZELLE,L.SHUVALOVA,F.R.COLLART,A.JOACHIMIAK . 564 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 359 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.8 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 0 3 0 0 0 1 1 5 3 1 1 2 0 0 0 0 2 1 1 3 0 0 0 1 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 2 A D > 0 0 136 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -29.2 -33.5 44.7 5.5 2 3 A F H > + 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.879 360.0 56.9 -64.8 -41.0 -31.4 43.5 2.5 3 4 A P H > S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.825 109.4 49.2 -58.9 -27.0 -28.2 45.1 3.9 4 5 A Q H > S+ 0 0 131 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.799 106.8 53.6 -77.6 -32.9 -28.9 42.9 7.0 5 6 A Q H X S+ 0 0 73 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.808 107.6 53.1 -68.6 -32.2 -29.4 39.8 4.9 6 7 A L H X S+ 0 0 21 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.945 108.1 47.7 -66.6 -48.4 -26.0 40.5 3.3 7 8 A E H X S+ 0 0 124 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.821 112.8 51.9 -60.1 -33.9 -24.3 40.7 6.7 8 9 A A H X S+ 0 0 57 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.922 110.2 45.8 -69.1 -47.6 -26.1 37.5 7.6 9 10 A C H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.784 110.9 55.4 -67.7 -26.1 -24.9 35.6 4.4 10 11 A V H X S+ 0 0 31 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.959 108.3 46.0 -68.0 -51.8 -21.3 37.0 5.0 11 12 A K H X S+ 0 0 158 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.843 116.2 48.6 -58.5 -34.5 -21.1 35.6 8.6 12 13 A Q H X S+ 0 0 48 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.920 109.0 49.4 -71.5 -48.2 -22.5 32.3 7.2 13 14 A A H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.841 111.2 52.1 -59.9 -37.8 -20.1 32.1 4.2 14 15 A N H X S+ 0 0 40 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.915 108.3 49.9 -64.6 -46.6 -17.3 32.7 6.7 15 16 A Q H X S+ 0 0 144 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.947 112.1 48.7 -54.2 -49.6 -18.5 29.9 8.9 16 17 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.927 112.5 48.4 -54.8 -50.5 -18.7 27.7 5.8 17 18 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-0.4 0.895 111.6 47.9 -57.9 -47.5 -15.2 28.7 4.8 18 19 A S H X S+ 0 0 45 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.873 104.0 63.2 -63.1 -38.0 -13.7 28.1 8.3 19 20 A R H < S+ 0 0 138 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.872 113.4 34.0 -52.1 -41.2 -15.5 24.7 8.3 20 21 A F H < S+ 0 0 19 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.703 123.5 43.8 -90.8 -23.3 -13.4 23.6 5.4 21 22 A I H >< S+ 0 0 1 -4,-1.8 3,-1.8 -5,-0.2 -3,-0.2 0.892 103.0 63.0 -87.4 -44.8 -10.2 25.5 6.2 22 23 A A T 3< S+ 0 0 56 -4,-3.0 -3,-0.1 1,-0.3 -2,-0.1 0.765 101.1 48.3 -54.5 -37.1 -9.9 24.8 10.0 23 24 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.441 84.6 114.8 -88.8 5.7 -9.5 21.0 9.9 24 25 A L S < S- 0 0 29 -3,-1.8 3,-0.4 1,-0.1 2,-0.1 -0.313 72.8-108.2 -66.4 151.2 -6.8 21.1 7.3 25 26 A P S S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 411,-0.0 -0.347 96.4 42.5 -79.3 171.0 -3.4 19.9 8.4 26 27 A F > + 0 0 33 1,-0.1 3,-1.2 2,-0.1 6,-0.4 0.806 63.3 161.7 65.7 33.0 -0.4 22.2 9.1 27 28 A Q T 3 + 0 0 46 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.723 68.9 58.5 -53.2 -24.9 -2.6 24.8 10.8 28 29 A N T 3 S+ 0 0 152 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 -0.115 85.9 100.2-103.1 38.7 0.5 26.3 12.4 29 30 A T S <> S- 0 0 9 -3,-1.2 4,-2.6 1,-0.1 3,-0.4 -0.936 78.5-122.2-122.0 141.0 2.4 27.1 9.1 30 31 A P H > S+ 0 0 43 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.878 111.4 57.5 -41.9 -48.3 2.6 30.5 7.4 31 32 A V H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.914 111.6 41.1 -55.7 -46.6 1.1 29.0 4.2 32 33 A V H > S+ 0 0 0 -6,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.895 111.8 54.5 -70.5 -38.7 -2.1 28.0 6.0 33 34 A E H X S+ 0 0 82 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.894 109.2 51.4 -59.6 -34.0 -2.1 31.2 8.1 34 35 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.884 105.8 52.5 -69.8 -40.3 -2.1 32.9 4.6 35 36 A M H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 5,-0.2 0.885 112.7 46.5 -62.9 -38.7 -5.0 30.9 3.3 36 37 A Q H X>S+ 0 0 57 -4,-2.1 4,-2.1 2,-0.2 5,-0.5 0.913 113.0 47.5 -69.4 -44.3 -7.1 31.9 6.4 37 38 A Y H X5S+ 0 0 35 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.906 117.1 43.9 -62.8 -42.7 -6.1 35.5 6.2 38 39 A G H <5S+ 0 0 9 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.795 119.5 39.6 -75.6 -30.8 -6.9 35.6 2.4 39 40 A A H <5S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.904 123.8 31.4 -85.4 -44.2 -10.2 33.7 2.5 40 41 A L H <5S+ 0 0 32 -4,-2.1 2,-0.6 -5,-0.2 -3,-0.2 0.796 91.5 88.2 -89.8 -36.7 -11.9 35.0 5.7 41 42 A L S < + 0 0 5 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 0.789 43.3 154.0 57.4 36.2 -19.4 37.3 -0.3 46 47 A L H > + 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.799 68.2 53.4 -64.6 -32.4 -21.7 37.9 -3.3 47 48 A R H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.949 111.5 45.6 -69.2 -50.8 -20.8 34.6 -5.0 48 49 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.878 109.6 56.7 -54.8 -37.6 -21.7 32.7 -1.9 49 50 A F H X S+ 0 0 6 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.925 106.7 49.5 -59.4 -43.8 -24.9 34.9 -1.7 50 51 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.852 112.3 47.0 -62.0 -37.3 -25.7 33.6 -5.2 51 52 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.956 115.9 44.4 -68.6 -52.1 -25.2 30.0 -4.3 52 53 A Y H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.895 116.7 46.2 -60.7 -42.6 -27.2 30.3 -1.1 53 54 A A H X S+ 0 0 11 -4,-3.0 4,-1.2 -5,-0.2 -1,-0.2 0.898 114.9 44.9 -69.5 -42.3 -30.0 32.3 -2.8 54 55 A T H < S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.2 3,-0.3 0.943 116.3 46.8 -67.7 -45.0 -30.3 30.0 -5.8 55 56 A G H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-1.7 0.914 108.5 54.6 -60.3 -46.9 -30.2 26.8 -3.7 56 57 A H H ><5S+ 0 0 84 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.792 96.5 66.9 -59.8 -29.0 -32.8 28.1 -1.2 57 58 A M T 3<5S+ 0 0 25 -4,-1.2 211,-0.3 -3,-0.3 -1,-0.3 0.736 107.4 40.7 -61.3 -25.4 -35.2 28.8 -4.1 58 59 A F T < 5S- 0 0 44 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.248 121.8-107.7-106.9 10.8 -35.3 25.0 -4.5 59 60 A G T < 5 + 0 0 66 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.706 61.2 160.9 71.8 23.5 -35.4 24.3 -0.7 60 61 A V < - 0 0 19 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.561 43.8-106.7 -76.3 136.4 -31.9 23.0 -0.5 61 62 A S > - 0 0 71 -2,-0.2 4,-2.1 1,-0.1 -1,-0.1 -0.196 13.6-128.9 -61.6 154.7 -30.5 23.0 3.0 62 63 A T H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.932 108.7 59.7 -68.4 -46.6 -27.8 25.6 4.1 63 64 A N H 4 S+ 0 0 108 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.876 111.1 43.1 -49.3 -42.1 -25.6 22.9 5.6 64 65 A T H >4 S+ 0 0 7 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.921 111.3 53.1 -68.5 -47.5 -25.5 21.4 2.0 65 66 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 5,-0.2 0.689 89.2 79.7 -64.6 -19.2 -25.0 24.8 0.3 66 67 A D H 3X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.793 90.0 57.2 -55.4 -29.6 -22.0 25.6 2.6 67 68 A A H <> S+ 0 0 2 -3,-1.6 4,-2.7 -4,-0.3 -2,-0.2 0.991 112.4 33.4 -69.3 -65.0 -20.0 23.3 0.2 68 69 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.804 118.9 56.0 -62.0 -28.7 -20.6 25.1 -3.2 69 70 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.959 112.9 40.2 -66.4 -47.9 -20.7 28.4 -1.4 70 71 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.877 113.4 55.3 -66.1 -40.8 -17.2 27.8 0.2 71 72 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.921 109.5 44.9 -63.1 -44.3 -15.9 26.3 -3.1 72 73 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.874 113.5 50.9 -66.9 -34.5 -16.7 29.3 -5.2 73 74 A E H X S+ 0 0 1 -4,-1.7 4,-3.7 2,-0.2 -2,-0.2 0.862 106.2 55.1 -72.4 -33.7 -15.4 31.7 -2.6 74 75 A C H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.895 109.6 47.2 -61.6 -43.0 -12.1 29.7 -2.4 75 76 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.959 116.3 44.5 -61.8 -49.0 -11.8 30.2 -6.2 76 77 A H H X S+ 0 0 26 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.937 114.6 48.8 -59.1 -50.3 -12.5 33.9 -5.8 77 78 A A H X S+ 0 0 1 -4,-3.7 4,-2.0 1,-0.2 3,-0.2 0.917 110.4 49.9 -56.9 -47.0 -10.2 34.2 -2.8 78 79 A Y H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.903 107.6 55.2 -63.6 -38.8 -7.3 32.5 -4.5 79 80 A S H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.860 108.4 48.2 -61.9 -37.1 -7.7 34.8 -7.6 80 81 A L H X S+ 0 0 25 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.886 109.2 52.3 -70.3 -40.2 -7.4 37.9 -5.5 81 82 A I H < S+ 0 0 6 -4,-2.0 4,-0.5 2,-0.2 20,-0.2 0.935 117.0 39.1 -60.9 -46.6 -4.3 36.6 -3.6 82 83 A H H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 6,-0.2 0.913 114.3 53.5 -69.9 -44.6 -2.6 35.9 -6.9 83 84 A D H 3< S+ 0 0 13 -4,-2.7 6,-3.0 1,-0.2 7,-0.5 0.816 102.4 60.0 -60.7 -32.0 -3.9 39.1 -8.7 84 85 A D T 3< S+ 0 0 5 -4,-2.2 7,-2.7 5,-0.2 -1,-0.2 0.675 80.6 113.3 -69.4 -20.8 -2.5 41.3 -5.8 85 86 A L S X >S- 0 0 1 -3,-1.2 5,-2.0 -4,-0.5 3,-1.8 -0.165 81.5-113.9 -52.9 145.0 1.1 40.1 -6.5 86 87 A P T 3 5S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 307,-0.1 0.816 116.6 58.2 -50.3 -37.1 3.6 42.7 -7.8 87 88 A A T 3 5S+ 0 0 37 305,-0.1 306,-0.3 2,-0.1 -2,-0.1 0.740 119.4 29.1 -68.3 -23.5 3.9 40.9 -11.1 88 89 A M T < 5S- 0 0 18 -3,-1.8 -4,-0.2 -6,-0.2 -5,-0.1 0.547 139.4 -21.5-101.9-108.8 0.2 41.2 -11.6 89 90 A D T 5S- 0 0 66 -6,-3.0 -5,-0.2 -7,-0.2 -4,-0.1 0.720 78.1-141.8 -79.0 -20.3 -2.0 44.1 -10.2 90 91 A D < + 0 0 90 -5,-2.0 2,-0.5 -7,-0.5 -5,-0.2 0.990 29.5 178.0 59.4 71.4 0.6 44.9 -7.5 91 92 A D - 0 0 49 -7,-2.7 11,-0.2 1,-0.1 -1,-0.2 -0.930 27.9-178.7-113.3 123.4 -1.7 45.7 -4.5 92 93 A D S S+ 0 0 104 -2,-0.5 7,-2.1 6,-0.1 2,-0.3 0.760 77.4 41.6 -82.2 -30.0 -0.3 46.6 -1.0 93 94 A L E +A 98 0A 118 5,-0.3 2,-0.3 9,-0.0 -1,-0.1 -0.879 56.9 163.9-124.3 153.6 -3.9 46.9 0.3 94 95 A R E > S+A 97 0A 75 3,-2.4 3,-2.8 -2,-0.3 -3,-0.0 -0.921 73.5 4.0-161.8 141.1 -7.2 45.1 -0.0 95 96 A R T 3 S- 0 0 77 1,-0.3 -52,-0.1 -2,-0.3 -2,-0.0 0.803 130.7 -60.7 50.1 31.7 -10.4 45.2 2.0 96 97 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -54,-0.0 -54,-0.0 0.583 122.1 89.8 74.2 13.7 -8.7 48.0 4.0 97 98 A L E < S-A 94 0A 72 -3,-2.8 -3,-2.4 -56,-0.1 -1,-0.2 -0.903 88.3 -78.8-136.1 159.6 -5.9 45.7 5.1 98 99 A P E -A 93 0A 58 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.296 54.4-112.1 -56.4 144.7 -2.4 44.7 3.9 99 100 A T > - 0 0 4 -7,-2.1 4,-2.4 -8,-0.1 5,-0.2 -0.175 28.9-100.1 -72.5 170.7 -2.5 42.1 1.1 100 101 A C H > S+ 0 0 8 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.923 120.7 47.3 -59.4 -48.3 -1.3 38.5 1.6 101 102 A H H > S+ 0 0 17 -20,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.850 112.9 50.0 -66.2 -34.8 2.1 38.9 -0.1 102 103 A V H 4 S+ 0 0 75 -11,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.946 119.7 36.5 -67.3 -46.1 2.8 42.1 1.9 103 104 A K H < S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.891 137.2 17.0 -74.9 -39.9 1.9 40.4 5.2 104 105 A F H X S- 0 0 41 -4,-3.4 4,-0.5 -5,-0.2 -3,-0.2 0.400 110.0-106.5-116.0 -1.7 3.3 36.9 4.6 105 106 A G H X - 0 0 32 -4,-1.6 4,-1.8 -5,-0.4 -1,-0.2 0.018 36.5 -79.9 90.2 157.2 5.6 37.4 1.7 106 107 A E H > S+ 0 0 66 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.880 123.3 59.1 -61.8 -41.5 5.2 36.4 -2.0 107 108 A A H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.946 110.1 43.0 -56.2 -50.7 6.2 32.7 -1.5 108 109 A N H X S+ 0 0 31 -4,-0.5 4,-3.3 1,-0.2 -1,-0.2 0.881 113.5 51.6 -60.5 -43.6 3.3 32.1 1.0 109 110 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.902 110.4 49.2 -62.7 -43.2 0.9 34.1 -1.1 110 111 A I H X S+ 0 0 2 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.970 116.4 41.9 -59.6 -52.4 1.7 32.1 -4.2 111 112 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.892 112.0 53.8 -62.9 -44.0 1.3 28.8 -2.3 112 113 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.881 109.1 48.6 -61.0 -39.6 -1.8 29.8 -0.4 113 114 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.937 112.3 49.4 -66.4 -44.0 -3.6 30.8 -3.6 114 115 A D H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.941 112.7 47.0 -58.1 -45.1 -2.6 27.4 -5.2 115 116 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 321,-0.3 0.809 108.4 55.6 -67.8 -35.5 -3.8 25.5 -2.1 116 117 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 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