==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-OCT-10 3AQ2 . COMPND 2 MOLECULE: 6B PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM VITIS; . AUTHOR M.M.WANG,Y.A.YUAN . 376 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 0 0 0 2 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 8 0 4 4 2 0 0 2 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 2 0 0 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 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 1 A M 0 0 149 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 169.8 37.5 -19.2 0.1 2 2 A T > - 0 0 63 1,-0.1 3,-2.1 37,-0.0 4,-0.3 -0.509 360.0-107.7 -85.5 156.5 34.6 -21.2 1.7 3 3 A V G > S+ 0 0 2 37,-0.4 3,-2.6 1,-0.3 -1,-0.1 0.830 112.9 67.6 -53.9 -40.2 30.9 -20.1 1.4 4 4 A P G 3 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 37,-0.0 0.709 90.4 66.7 -55.6 -18.0 30.6 -18.9 5.0 5 5 A T G < S+ 0 0 65 -3,-2.1 2,-0.5 2,-0.1 -2,-0.2 0.690 83.9 92.8 -71.0 -19.4 33.0 -16.1 4.0 6 6 A W < - 0 0 20 -3,-2.6 2,-0.7 -4,-0.3 176,-0.1 -0.683 65.7-154.2 -83.5 122.2 30.3 -14.7 1.7 7 7 A Q - 0 0 154 -2,-0.5 70,-0.1 1,-0.0 -2,-0.1 -0.860 28.0-118.5 -92.2 115.5 28.0 -12.0 3.2 8 8 A V - 0 0 39 -2,-0.7 2,-0.8 68,-0.2 176,-0.2 -0.238 25.6-119.1 -51.0 138.4 24.7 -12.2 1.3 9 9 A R E -a 184 0A 72 174,-2.0 176,-2.3 173,-0.1 2,-1.0 -0.772 22.4-153.3 -85.2 111.7 24.0 -8.9 -0.5 10 10 A D E +a 185 0A 80 -2,-0.8 3,-0.3 174,-0.2 176,-0.2 -0.769 24.8 166.5 -88.2 102.3 20.8 -7.5 1.0 11 11 A L > + 0 0 11 174,-2.9 3,-2.2 -2,-1.0 176,-0.4 0.156 35.6 116.8-103.5 17.6 19.4 -5.4 -1.8 12 12 A R T 3 S+ 0 0 41 1,-0.3 -1,-0.2 174,-0.2 174,-0.1 0.700 78.1 49.4 -62.0 -21.3 15.9 -4.9 -0.4 13 13 A R T 3 S+ 0 0 230 -3,-0.3 2,-0.8 1,-0.1 -1,-0.3 0.268 88.8 90.2-101.3 9.7 16.4 -1.2 -0.1 14 14 A I < + 0 0 35 -3,-2.2 173,-0.3 1,-0.1 -1,-0.1 -0.881 49.4 157.3-103.7 99.9 17.7 -0.9 -3.7 15 15 A L + 0 0 72 -2,-0.8 176,-3.1 175,-0.1 2,-0.5 0.493 35.3 95.4-112.7 -6.8 14.4 -0.3 -5.5 16 16 A R B > S-g 191 0B 109 174,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.770 71.5-135.2 -87.7 131.1 15.3 1.4 -8.7 17 17 A V H > S+ 0 0 15 174,-2.7 4,-2.4 -2,-0.5 5,-0.2 0.885 101.5 47.2 -52.2 -51.7 15.6 -1.1 -11.6 18 18 A S H > S+ 0 0 38 174,-0.4 4,-1.7 173,-0.2 -1,-0.2 0.920 115.1 46.3 -61.9 -42.9 18.8 0.3 -13.1 19 19 A E H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 111.4 52.2 -64.4 -44.0 20.6 0.5 -9.7 20 20 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.928 107.2 51.8 -60.6 -43.2 19.4 -3.0 -8.7 21 21 A S H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 110.1 49.4 -59.7 -42.1 20.8 -4.5 -11.9 22 22 A Q H X S+ 0 0 125 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.909 111.2 48.8 -64.3 -44.4 24.2 -2.9 -11.3 23 23 A H H X S+ 0 0 81 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.873 111.2 50.3 -63.0 -39.2 24.3 -4.2 -7.7 24 24 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.912 109.0 52.0 -65.0 -42.1 23.3 -7.7 -8.9 25 25 A R H X S+ 0 0 199 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.929 113.1 44.3 -57.9 -47.1 26.1 -7.6 -11.5 26 26 A Q H X S+ 0 0 105 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.850 110.3 54.7 -68.2 -38.1 28.7 -6.7 -8.9 27 27 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.918 109.0 48.6 -62.2 -43.0 27.4 -9.2 -6.4 28 28 A R H X S+ 0 0 56 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.930 112.7 47.4 -62.3 -47.2 27.8 -12.0 -8.9 29 29 A T H X S+ 0 0 53 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.906 112.8 48.8 -60.5 -43.8 31.3 -10.9 -9.8 30 30 A D H X S+ 0 0 47 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.843 111.0 50.9 -66.4 -37.3 32.3 -10.6 -6.1 31 31 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.954 114.0 43.2 -62.1 -52.6 30.9 -14.1 -5.4 32 32 A R H X S+ 0 0 78 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.892 112.1 54.9 -60.2 -42.5 32.8 -15.6 -8.3 33 33 A S H < S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 117.0 34.2 -61.3 -40.7 36.0 -13.7 -7.4 34 34 A T H < S+ 0 0 49 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.719 127.9 34.0 -90.2 -23.8 36.1 -14.9 -3.8 35 35 A L H < S- 0 0 8 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.499 100.9-127.4-115.0 -7.8 34.7 -18.5 -4.2 36 36 A S < - 0 0 46 -4,-2.0 -1,-0.2 -5,-0.2 22,-0.1 -0.005 35.5 -68.3 83.0 174.3 36.0 -19.6 -7.6 37 37 A Q S S+ 0 0 45 1,-0.2 21,-1.8 20,-0.1 22,-0.5 0.650 124.2 50.9 -71.8 -19.5 34.3 -21.1 -10.7 38 38 A L E S-H 57 0C 29 19,-0.2 2,-0.6 -3,-0.2 19,-0.2 -0.964 72.7-174.4-127.9 113.0 33.5 -24.3 -8.8 39 39 A V E -H 56 0C 5 17,-2.2 17,-3.0 -2,-0.5 2,-0.2 -0.899 10.0-175.3-121.5 106.2 31.8 -24.0 -5.4 40 40 A Y E +H 55 0C 57 -2,-0.6 -37,-0.4 15,-0.2 15,-0.2 -0.624 16.2 159.3 -83.8 156.2 31.1 -26.8 -3.0 41 41 A F + 0 0 9 13,-0.6 2,-0.5 1,-0.3 -1,-0.1 0.563 40.5 75.5-151.4 -34.7 29.1 -25.7 0.0 42 42 A N S S- 0 0 22 12,-0.4 10,-3.1 137,-0.1 -1,-0.3 -0.844 71.2-126.4-103.1 128.3 27.3 -28.5 1.9 43 43 A R B -J 51 0D 107 -2,-0.5 8,-0.3 8,-0.3 6,-0.1 -0.395 31.5-107.7 -69.1 139.4 29.1 -30.9 4.2 44 44 A S - 0 0 9 6,-2.9 6,-0.1 3,-0.6 -1,-0.1 -0.379 11.1-148.8 -65.0 144.2 28.4 -34.6 3.5 45 45 A V S S+ 0 0 126 2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.621 102.4 52.6 -83.7 -15.8 26.3 -36.6 6.0 46 46 A V S S+ 0 0 125 1,-0.3 -1,-0.1 4,-0.1 6,-0.0 0.907 130.1 13.7 -84.9 -51.1 28.4 -39.6 5.1 47 47 A N S > S- 0 0 64 3,-0.1 3,-2.2 1,-0.1 -3,-0.6 -0.843 75.9-164.2-124.7 97.9 31.8 -37.9 5.8 48 48 A P T 3 S+ 0 0 80 0, 0.0 -5,-0.1 0, 0.0 4,-0.1 0.489 85.8 56.1 -60.0 -11.2 31.0 -34.6 7.7 49 49 A N T 3 S+ 0 0 133 -6,-0.1 2,-0.2 2,-0.1 -4,-0.1 0.608 103.4 61.6 -96.4 -17.2 34.4 -33.1 7.1 50 50 A E S < S- 0 0 117 -3,-2.2 -6,-2.9 -6,-0.1 2,-0.2 -0.641 90.7-103.0-103.2 164.9 34.2 -33.5 3.2 51 51 A Y B -J 43 0D 74 -8,-0.3 -8,-0.3 -2,-0.2 -2,-0.1 -0.503 30.4-119.1 -82.6 156.0 31.6 -31.8 0.9 52 52 A D - 0 0 3 -10,-3.1 120,-0.2 -2,-0.2 -1,-0.1 -0.024 42.7 -87.3 -74.9-167.6 28.7 -33.6 -0.6 53 53 A D S S+ 0 0 69 118,-2.4 2,-0.4 -13,-0.1 119,-0.2 0.535 92.2 104.0 -87.6 -4.3 28.3 -34.0 -4.4 54 54 A E + 0 0 0 117,-0.4 -13,-0.6 -12,-0.2 -12,-0.4 -0.630 45.1 174.3 -86.2 130.6 26.5 -30.7 -5.2 55 55 A Y E -H 40 0C 5 -2,-0.4 83,-1.5 -15,-0.2 2,-0.3 -0.986 26.9-126.1-136.9 144.2 28.5 -27.8 -6.7 56 56 A L E -HI 39 137C 0 -17,-3.0 -17,-2.2 -2,-0.3 2,-0.7 -0.707 11.5-145.4 -85.7 142.1 27.8 -24.4 -8.0 57 57 A L E -H 38 0C 29 79,-1.8 79,-0.2 -2,-0.3 -19,-0.2 -0.931 19.2-178.8-103.1 105.8 28.9 -23.4 -11.5 58 58 A S + 0 0 0 -21,-1.8 2,-1.0 -2,-0.7 -26,-0.1 0.541 62.3 86.2 -92.5 -7.1 29.7 -19.7 -11.0 59 59 A D S S+ 0 0 46 -22,-0.5 2,-0.3 -27,-0.1 -1,-0.2 -0.366 82.5 76.7 -83.4 51.2 30.7 -19.0 -14.6 60 60 A Q S S- 0 0 55 -2,-1.0 2,-0.1 -3,-0.1 266,-0.0 -0.942 89.2 -87.2-148.5 170.0 27.0 -18.3 -15.5 61 61 A R - 0 0 91 -2,-0.3 75,-0.3 1,-0.1 2,-0.1 -0.358 51.8 -91.5 -74.5 159.5 24.5 -15.5 -15.0 62 62 A L - 0 0 16 73,-0.1 2,-0.3 -2,-0.1 73,-0.2 -0.367 37.9-160.1 -62.8 146.6 22.4 -15.2 -11.9 63 63 A T E -B 134 0A 5 71,-2.6 71,-3.0 -2,-0.1 2,-0.4 -0.855 14.5-122.6-122.8 170.2 18.9 -16.9 -11.8 64 64 A Y E -BC 133 93A 17 29,-2.8 29,-2.0 -2,-0.3 2,-0.6 -0.908 14.4-164.9-125.5 133.7 16.1 -16.0 -9.5 65 65 A V E -B 132 0A 0 67,-2.7 67,-2.4 -2,-0.4 2,-0.2 -0.975 28.5-139.8-113.1 113.3 13.9 -17.9 -7.0 66 66 A Y E +B 131 0A 4 -2,-0.6 2,-0.3 25,-0.3 65,-0.3 -0.537 33.5 156.7 -80.7 138.4 10.9 -15.8 -6.2 67 67 A V E -B 130 0A 0 63,-2.3 63,-2.8 -2,-0.2 2,-0.1 -0.897 42.2 -94.4-149.0 170.1 9.7 -15.7 -2.6 68 68 A D > - 0 0 43 -2,-0.3 4,-2.5 60,-0.2 5,-0.1 -0.439 47.6-102.1 -84.6 169.9 7.7 -13.6 0.0 69 69 A E H > S+ 0 0 91 57,-0.3 4,-2.3 2,-0.2 5,-0.2 0.893 120.4 52.4 -68.1 -35.6 9.5 -11.2 2.3 70 70 A V H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.951 113.5 44.2 -62.3 -46.2 9.5 -13.4 5.4 71 71 A T H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.890 110.1 56.5 -64.0 -40.1 11.0 -16.3 3.3 72 72 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.931 110.6 43.9 -56.3 -46.5 13.5 -13.9 1.7 73 73 A Q H X S+ 0 0 90 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.936 115.2 47.9 -66.7 -48.0 14.8 -12.9 5.2 74 74 A L H X S+ 0 0 67 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.926 119.6 38.5 -57.4 -47.8 14.9 -16.4 6.5 75 75 A C H X>S+ 0 0 0 -4,-3.0 5,-1.9 -5,-0.2 4,-0.9 0.918 116.9 48.9 -76.0 -45.1 16.7 -17.8 3.5 76 76 A G H ><5S+ 0 0 6 -4,-3.0 3,-0.5 -5,-0.3 -68,-0.2 0.926 114.8 43.4 -56.8 -48.9 19.0 -14.8 2.9 77 77 A L H 3<5S+ 0 0 125 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.676 123.3 37.4 -72.6 -17.1 20.2 -14.5 6.5 78 78 A N H 3<5S- 0 0 95 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.333 105.4-113.7-123.7 6.1 20.7 -18.3 6.9 79 79 A R T <<5 + 0 0 73 -4,-0.9 101,-2.3 -3,-0.5 2,-0.3 0.949 66.8 143.5 56.7 54.0 22.0 -19.5 3.5 80 80 A L E < -K 179 0E 34 -5,-1.9 99,-0.2 99,-0.3 -1,-0.2 -0.911 39.8-156.7-121.4 151.0 18.9 -21.5 2.7 81 81 A L E -K 178 0E 0 97,-2.4 97,-2.5 -2,-0.3 2,-0.2 -0.998 18.3-143.1-124.1 130.7 17.0 -22.3 -0.4 82 82 A P E -K 177 0E 0 0, 0.0 95,-0.2 0, 0.0 2,-0.2 -0.554 15.0-117.4 -87.4 154.1 13.2 -23.2 -0.3 83 83 A S - 0 0 0 93,-2.2 36,-2.5 -2,-0.2 7,-0.3 -0.599 24.3-176.4 -73.2 150.9 11.3 -25.7 -2.4 84 84 A N + 0 0 0 5,-2.5 37,-0.4 -2,-0.2 6,-0.2 0.085 67.4 42.8-133.3 20.0 8.6 -24.1 -4.4 85 85 A S B > S-L 89 0F 4 4,-1.1 4,-0.9 28,-0.1 3,-0.2 -0.961 94.2 -86.6-156.3 158.2 7.1 -27.2 -5.9 86 86 A P T >4 S+ 0 0 53 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 -0.087 104.8 45.7 -66.8 174.8 6.3 -30.7 -4.6 87 87 A A T 34 S- 0 0 41 1,-0.2 73,-1.8 29,-0.1 74,-0.3 0.864 134.1 -68.8 55.3 37.1 8.9 -33.6 -4.5 88 88 A F T 34 S+ 0 0 82 -3,-0.2 2,-0.3 1,-0.2 87,-0.2 0.764 87.7 164.5 57.3 34.5 11.4 -31.1 -3.0 89 89 A G B << -L 85 0F 0 -3,-0.9 -5,-2.5 -4,-0.9 -4,-1.1 -0.591 26.7-163.8 -85.6 140.0 11.7 -29.1 -6.3 90 90 A T E - D 0 158A 3 68,-2.1 68,-2.5 -7,-0.3 2,-0.5 -0.976 8.8-160.9-121.2 117.7 13.1 -25.6 -6.5 91 91 A V E + D 0 157A 1 -2,-0.5 2,-0.3 66,-0.2 -25,-0.3 -0.844 12.0 179.0 -99.8 126.3 12.3 -23.8 -9.7 92 92 A A E - D 0 156A 0 64,-2.3 64,-3.0 -2,-0.5 2,-0.3 -0.874 8.5-156.8-121.0 156.2 14.5 -20.8 -10.7 93 93 A T E -CD 64 155A 0 -29,-2.0 -29,-2.8 -2,-0.3 62,-0.2 -0.977 27.5-138.3-134.8 151.9 14.3 -18.5 -13.8 94 94 A A S S+ 0 0 15 60,-2.7 61,-0.1 -2,-0.3 -1,-0.1 0.599 75.7 110.9 -73.7 -15.2 16.6 -16.3 -15.8 95 95 A M S S- 0 0 0 59,-0.5 -2,-0.2 -31,-0.1 -31,-0.1 -0.513 70.6-134.9 -63.8 116.8 13.6 -13.8 -15.9 96 96 A P > - 0 0 13 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.272 21.5-100.6 -76.3 164.2 14.9 -10.9 -13.7 97 97 A P T 3 S+ 0 0 5 0, 0.0 93,-0.2 0, 0.0 3,-0.1 0.658 120.7 49.5 -60.1 -17.1 12.7 -9.2 -11.1 98 98 A W T 3 S+ 0 0 82 1,-0.1 3,-0.1 -81,-0.1 -81,-0.0 0.365 86.2 87.5 -99.5 1.7 12.0 -6.2 -13.3 99 99 A L S < S+ 0 0 10 -3,-2.2 2,-0.3 1,-0.1 -1,-0.1 0.928 100.9 8.8 -69.0 -44.2 11.0 -8.2 -16.4 100 100 A L S S- 0 0 29 -4,-0.5 -1,-0.1 -3,-0.1 0, 0.0 -0.900 88.4 -92.2-132.1 157.8 7.3 -8.5 -15.5 101 101 A D > - 0 0 82 -2,-0.3 4,-2.8 1,-0.1 3,-0.4 -0.403 43.7-112.1 -63.7 147.7 5.0 -7.1 -12.9 102 102 A P H > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.814 118.9 56.6 -54.5 -30.0 4.8 -9.4 -9.8 103 103 A Q H > S+ 0 0 140 2,-0.2 4,-1.4 1,-0.2 23,-0.0 0.923 110.2 43.5 -66.9 -41.9 1.2 -10.1 -10.6 104 104 A E H > S+ 0 0 106 -3,-0.4 4,-1.7 2,-0.2 3,-0.2 0.922 112.9 52.2 -66.9 -45.6 2.2 -11.3 -14.1 105 105 A M H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.897 104.9 56.7 -58.6 -39.2 5.1 -13.3 -12.8 106 106 A N H X S+ 0 0 10 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.897 103.8 53.5 -61.6 -38.1 2.8 -15.0 -10.3 107 107 A A H X S+ 0 0 61 -4,-1.4 4,-1.3 -3,-0.2 -1,-0.2 0.910 111.9 44.4 -60.8 -42.9 0.6 -16.2 -13.2 108 108 A I H X S+ 0 0 43 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.910 112.2 52.6 -68.4 -41.3 3.7 -17.8 -14.9 109 109 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.875 105.6 54.5 -61.5 -39.4 4.9 -19.3 -11.6 110 110 A Q H < S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.4 45.9 -61.9 -37.7 1.6 -20.9 -10.9 111 111 A Q H < S+ 0 0 174 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.762 117.3 45.6 -74.6 -23.9 1.7 -22.6 -14.3 112 112 A S H < S+ 0 0 10 -4,-1.4 2,-0.4 1,-0.1 -2,-0.2 0.687 112.8 45.7 -91.3 -24.3 5.4 -23.6 -13.7 113 113 A C < - 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