==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-11 3TMQ . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1095 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 774 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 3.7 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 0.2 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 . 67 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 3 1 0 6 1 6 2 4 0 0 0 8 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 16 4 8 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 . 2 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 12 1 0 0 0 0 0 4 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 0 100 0, 0.0 12,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 148.5 91.4 66.3 23.2 2 2 A N - 0 0 94 10,-0.1 2,-0.6 190,-0.1 10,-0.2 -0.842 360.0-147.5-103.2 135.0 89.3 68.9 25.1 3 3 A V E -A 11 0A 2 8,-3.2 8,-2.6 -2,-0.4 2,-0.4 -0.910 9.0-145.7-107.8 114.1 87.5 71.7 23.2 4 4 A A E +A 10 0A 56 -2,-0.6 6,-0.2 6,-0.2 156,-0.0 -0.675 25.5 168.1 -76.5 124.3 87.1 75.0 25.1 5 5 A I E - 0 0 16 4,-2.7 5,-0.2 1,-0.5 -1,-0.2 0.798 60.6 -32.2-108.0 -43.3 83.8 76.6 24.1 6 6 A S E > S-A 9 0A 32 3,-1.5 3,-2.7 83,-0.1 -1,-0.5 -0.933 90.8 -48.7-166.0 172.4 83.4 79.5 26.6 7 7 A P T 3 S+ 0 0 132 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.380 129.6 6.1 -57.6 123.0 84.3 80.2 30.3 8 8 A G T 3 S+ 0 0 74 -2,-0.1 2,-0.4 1,-0.1 -4,-0.0 0.487 111.6 96.7 80.6 5.5 83.2 77.2 32.3 9 9 A V E < +A 6 0A 12 -3,-2.7 -4,-2.7 40,-0.1 -3,-1.5 -0.892 39.7 153.8-131.6 104.8 82.2 75.1 29.2 10 10 A T E -A 4 0A 60 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.998 28.1-147.6-127.3 130.9 84.8 72.6 27.9 11 11 A A E +A 3 0A 0 -8,-2.6 -8,-3.2 -2,-0.4 2,-0.3 -0.856 30.9 144.2-102.7 132.2 83.8 69.4 25.9 12 12 A G > - 0 0 0 -2,-0.4 3,-1.6 220,-0.4 -10,-0.1 -0.967 54.8-116.5-164.4 150.9 85.8 66.2 26.1 13 13 A N T 3 S+ 0 0 39 -12,-0.4 4,-0.1 178,-0.3 -11,-0.1 0.662 117.0 41.0 -67.0 -19.3 85.3 62.5 26.1 14 14 A S T 3 S+ 0 0 95 2,-0.1 -1,-0.3 218,-0.0 3,-0.1 0.382 104.3 87.0-103.7 3.2 86.7 62.0 29.7 15 15 A L S < S- 0 0 46 -3,-1.6 3,-0.1 1,-0.1 -3,-0.1 -0.511 96.9 -77.1 -99.5 164.4 84.9 65.1 31.0 16 16 A P - 0 0 77 0, 0.0 -4,-0.3 0, 0.0 -1,-0.1 -0.378 67.7 -95.5 -56.8 139.4 81.4 65.6 32.5 17 17 A F - 0 0 4 248,-0.1 2,-0.4 -6,-0.1 216,-0.3 -0.244 33.2-137.2 -66.1 148.7 79.1 65.7 29.5 18 18 A V E -b 233 0B 0 214,-2.0 216,-2.2 30,-0.1 2,-0.6 -0.871 13.7-133.1-100.2 136.7 78.1 69.1 28.0 19 19 A L E -bc 234 50B 0 30,-2.9 32,-2.7 -2,-0.4 2,-0.8 -0.843 15.6-170.7 -90.8 120.4 74.4 69.7 27.0 20 20 A F E +bc 235 51B 0 214,-3.2 216,-2.2 -2,-0.6 2,-0.4 -0.920 36.7 159.4-100.5 95.9 74.0 71.2 23.6 21 21 A G E +bc 236 52B 0 30,-1.9 32,-1.7 -2,-0.8 2,-0.2 -0.936 3.4 86.3-131.9 146.3 70.3 71.8 24.1 22 22 A G E -bc 237 53B 0 214,-2.6 216,-2.8 -2,-0.4 2,-0.3 -0.774 64.5 -32.8 177.2-131.6 67.5 73.9 22.7 23 23 A I E - 0 0 4 30,-2.2 32,-0.2 214,-0.2 3,-0.1 -0.853 41.7-122.9-122.8 159.3 64.9 74.2 20.0 24 24 A N E S+ 0 0 12 214,-0.3 31,-1.2 -2,-0.3 2,-0.3 0.966 89.1 8.3 -66.8 -48.9 64.8 73.0 16.4 25 25 A V E S- c 0 55B 7 29,-0.2 2,-0.5 222,-0.1 -1,-0.2 -0.989 71.5-114.8-143.9 137.1 64.1 76.4 14.7 26 26 A L + 0 0 0 29,-2.9 44,-2.2 -2,-0.3 45,-0.2 -0.618 40.3 157.6 -69.3 119.1 64.0 80.1 15.7 27 27 A E - 0 0 60 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.692 65.4 -7.8-108.4 -41.8 60.4 81.5 15.2 28 28 A S > - 0 0 52 1,-0.1 4,-1.9 47,-0.0 -1,-0.4 -0.990 59.9-116.0-155.0 158.8 60.4 84.5 17.5 29 29 A L H > S+ 0 0 67 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.930 110.1 49.0 -61.0 -49.6 62.5 86.3 20.2 30 30 A D H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 111.9 46.8 -65.8 -41.4 60.1 85.8 23.1 31 31 A F H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.939 113.9 49.5 -63.6 -47.1 59.6 82.1 22.7 32 32 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.946 112.7 46.9 -54.6 -50.8 63.3 81.5 22.2 33 33 A L H X S+ 0 0 14 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.921 113.1 49.9 -59.5 -43.1 64.1 83.5 25.4 34 34 A D H X S+ 0 0 112 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.932 115.3 41.2 -64.8 -45.6 61.4 81.7 27.3 35 35 A V H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 3,-0.5 0.941 115.4 50.6 -69.0 -45.0 62.6 78.2 26.3 36 36 A C H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.931 106.8 56.8 -56.6 -44.6 66.3 79.1 26.7 37 37 A G H X S+ 0 0 22 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.834 105.7 49.4 -53.5 -39.1 65.4 80.5 30.2 38 38 A E H X S+ 0 0 37 -4,-1.3 4,-2.3 -3,-0.5 -1,-0.2 0.880 111.5 49.0 -71.7 -38.5 64.0 77.1 31.2 39 39 A Y H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.891 111.4 49.6 -61.8 -45.3 67.1 75.2 30.0 40 40 A V H X S+ 0 0 11 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.898 112.5 47.6 -62.5 -42.8 69.4 77.7 31.8 41 41 A A H X S+ 0 0 56 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.934 115.4 44.5 -61.2 -47.9 67.4 77.3 35.1 42 42 A V H X S+ 0 0 22 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.940 115.7 45.2 -68.5 -46.9 67.4 73.5 34.9 43 43 A T H X>S+ 0 0 7 -4,-2.8 5,-2.3 2,-0.2 4,-2.1 0.891 114.0 49.8 -64.2 -38.5 71.1 73.1 33.9 44 44 A R H <5S+ 0 0 183 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.935 112.0 48.6 -64.7 -46.6 72.2 75.6 36.6 45 45 A K H <5S+ 0 0 143 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.939 119.3 37.8 -56.3 -50.0 70.2 73.7 39.2 46 46 A L H <5S- 0 0 38 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.693 110.3-120.8 -78.2 -20.6 71.6 70.3 38.2 47 47 A G T <5 + 0 0 53 -4,-2.1 -3,-0.2 1,-0.2 -4,-0.1 0.916 57.8 149.0 79.5 48.7 75.1 71.6 37.5 48 48 A I < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.1 -30,-0.1 -0.957 51.5-116.4-114.7 126.4 75.4 70.6 33.8 49 49 A P - 0 0 39 0, 0.0 -30,-2.9 0, 0.0 2,-0.4 -0.410 42.0-155.6 -62.9 143.0 77.5 72.7 31.4 50 50 A F E -c 19 0B 13 -32,-0.2 2,-0.4 -30,-0.1 -30,-0.2 -0.979 29.3-179.3-139.5 131.7 75.2 74.2 28.8 51 51 A V E -c 20 0B 0 -32,-2.7 -30,-1.9 -2,-0.4 2,-0.4 -0.999 31.2-130.1-123.3 124.3 75.3 75.5 25.2 52 52 A F E -cd 21 90B 0 37,-2.6 39,-2.3 -2,-0.4 2,-0.4 -0.635 25.5-160.8 -81.3 127.4 72.0 76.8 23.8 53 53 A K E +cd 22 91B 2 -32,-1.7 -30,-2.2 -2,-0.4 2,-0.3 -0.852 23.7 139.8-110.0 140.3 71.0 75.5 20.3 54 54 A A E - 0 0 0 37,-1.5 2,-0.4 -2,-0.4 39,-0.3 -0.922 41.1-121.8-163.6 153.2 68.6 76.7 17.6 55 55 A S E -c 25 0B 0 -31,-1.2 -29,-2.9 -2,-0.3 3,-0.1 -0.832 6.2-159.5 -94.5 136.8 68.6 76.9 13.8 56 56 A F S S+ 0 0 0 -2,-0.4 15,-2.8 37,-0.4 2,-0.3 0.722 84.0 13.7 -79.4 -21.7 68.1 80.3 12.1 57 57 A D - 0 0 17 36,-0.2 2,-0.7 13,-0.2 -1,-0.3 -0.989 59.8-145.1-151.4 139.4 67.0 78.5 8.9 58 58 A K > + 0 0 12 10,-1.9 3,-0.6 -2,-0.3 -33,-0.0 -0.929 26.1 175.6-101.0 102.7 66.0 75.0 7.9 59 59 A A T 3 S+ 0 0 6 -2,-0.7 616,-1.9 1,-0.2 617,-0.4 0.445 70.3 49.9 -91.1 -0.2 67.5 75.0 4.4 60 60 A N T 3 + 0 0 42 614,-0.2 -1,-0.2 615,-0.1 614,-0.1 -0.009 65.4 150.7-131.0 27.3 66.7 71.4 3.7 61 61 A R < - 0 0 22 -3,-0.6 614,-0.1 1,-0.1 150,-0.1 -0.323 49.5-129.4 -57.2 148.2 62.9 70.9 4.5 62 62 A S S S+ 0 0 8 148,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.966 91.2 51.7 -65.2 -48.1 61.5 68.1 2.2 63 63 A S S > S- 0 0 15 147,-0.5 3,-1.5 1,-0.1 -1,-0.1 -0.723 73.0-141.7 -97.0 137.8 58.6 70.3 1.1 64 64 A I T 3 S+ 0 0 47 -2,-0.4 -1,-0.1 639,-0.3 -3,-0.1 0.705 105.1 61.0 -57.0 -21.6 58.8 73.8 -0.3 65 65 A H T 3 S+ 0 0 140 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.567 84.7 101.3 -87.0 -8.3 55.6 74.5 1.8 66 66 A S S < S- 0 0 31 -3,-1.5 2,-0.1 1,-0.1 -5,-0.1 -0.340 83.8 -88.8 -85.6 160.8 57.2 73.7 5.2 67 67 A Y - 0 0 49 179,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.405 35.4-177.2 -71.8 137.0 58.4 76.2 7.8 68 68 A R - 0 0 64 1,-0.2 -10,-1.9 -2,-0.1 3,-0.3 0.538 38.0-116.3-108.9 -15.7 62.0 77.5 7.4 69 69 A G - 0 0 17 -12,-0.2 -1,-0.2 1,-0.2 -42,-0.2 -0.215 45.0 -55.2 96.9 171.6 62.5 79.8 10.4 70 70 A V S S- 0 0 45 -44,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.668 79.6-128.3 -64.3 -21.4 63.1 83.5 10.8 71 71 A G > - 0 0 20 -15,-2.8 4,-2.3 -3,-0.3 5,-0.2 -0.202 33.1 -55.9 94.0 174.6 66.3 83.5 8.7 72 72 A L H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 125.7 44.5 -59.8 -58.7 69.9 84.7 9.1 73 73 A D H > S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.926 121.2 37.3 -58.9 -53.2 69.4 88.4 9.9 74 74 A E H > S+ 0 0 97 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.878 115.3 57.0 -66.4 -33.8 66.6 88.1 12.4 75 75 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.896 104.3 50.8 -63.9 -42.8 68.1 84.9 13.8 76 76 A L H X S+ 0 0 24 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.829 108.7 52.6 -65.8 -33.7 71.4 86.5 14.6 77 77 A K H X S+ 0 0 125 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.879 108.6 50.0 -68.5 -38.7 69.6 89.3 16.5 78 78 A I H X S+ 0 0 12 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.961 110.5 50.4 -62.7 -48.7 67.7 86.7 18.6 79 79 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.865 108.5 51.8 -58.1 -39.4 71.0 85.0 19.4 80 80 A A H X S+ 0 0 44 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.921 112.1 46.3 -63.4 -44.2 72.6 88.4 20.4 81 81 A E H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 111.9 52.0 -62.1 -40.6 69.6 89.0 22.8 82 82 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 6,-0.5 0.931 111.8 46.3 -61.2 -46.8 69.8 85.4 24.1 83 83 A K H X S+ 0 0 58 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.899 114.9 45.4 -60.4 -45.9 73.6 85.8 24.9 84 84 A A H < S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.4 47.5 -67.5 -39.1 73.2 89.3 26.6 85 85 A R H < S+ 0 0 155 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.804 131.9 13.3 -74.4 -33.4 70.2 88.2 28.6 86 86 A F H < S- 0 0 53 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.579 86.4-128.5-121.2 -17.7 71.6 84.9 30.0 87 87 A G < + 0 0 65 -4,-2.3 -4,-0.2 -5,-0.4 -3,-0.1 0.798 59.2 144.7 68.3 28.0 75.3 84.8 29.3 88 88 A V - 0 0 10 -6,-0.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.757 51.2-121.6 -97.9 141.0 75.0 81.4 27.6 89 89 A P - 0 0 10 0, 0.0 -37,-2.6 0, 0.0 2,-0.3 -0.482 32.3-144.3 -73.3 159.0 77.1 80.3 24.6 90 90 A V E -d 52 0B 0 -39,-0.2 18,-2.2 16,-0.2 19,-1.2 -0.912 12.8-156.9-130.6 155.2 75.1 79.3 21.5 91 91 A I E +de 53 109B 0 -39,-2.3 -37,-1.5 -2,-0.3 2,-0.3 -0.995 18.8 164.9-129.6 131.5 75.4 76.9 18.7 92 92 A T E - e 0 110B 0 17,-1.6 19,-2.5 -2,-0.4 2,-0.2 -0.966 32.0-109.8-141.6 164.0 73.8 77.1 15.3 93 93 A D E - e 0 111B 13 -2,-0.3 2,-0.4 -39,-0.3 -37,-0.4 -0.645 20.9-146.9 -97.2 152.2 74.1 75.5 11.9 94 94 A V - 0 0 0 17,-2.3 32,-0.1 -2,-0.2 3,-0.1 -0.976 14.3-179.8-123.2 127.6 75.5 77.1 8.7 95 95 A H + 0 0 24 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.584 66.9 38.0-107.2 -19.1 74.3 76.3 5.1 96 96 A E S >> S- 0 0 94 1,-0.1 3,-1.7 26,-0.1 4,-0.5 -0.996 77.7-119.8-135.4 147.1 76.4 78.4 2.8 97 97 A A G >4 S+ 0 0 39 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.855 111.6 55.8 -46.5 -47.5 80.1 79.4 2.8 98 98 A E G 34 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.662 98.8 62.6 -69.9 -17.0 79.3 83.1 3.0 99 99 A Q G <> S+ 0 0 23 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.686 84.2 79.6 -74.3 -20.4 77.2 82.7 6.2 100 100 A A H S+ 0 0 69 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.904 115.2 44.7 -62.3 -50.1 81.8 84.7 9.1 102 102 A P H >> S+ 0 0 58 0, 0.0 4,-0.6 0, 0.0 3,-0.6 0.941 114.5 50.7 -64.2 -38.7 78.7 86.6 10.0 103 103 A V H >X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 3,-1.7 0.935 105.8 56.4 -59.5 -43.3 77.5 83.7 12.1 104 104 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.1 0.708 93.2 67.4 -64.5 -26.3 80.8 83.5 13.9 105 105 A E H << S+ 0 0 84 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.829 122.0 16.8 -60.4 -30.6 80.6 87.1 15.1 106 106 A I H << S+ 0 0 45 -3,-1.7 -2,-0.2 -4,-0.6 -16,-0.2 0.819 112.0 74.4-108.9 -48.3 77.6 85.9 17.3 107 107 A A < - 0 0 0 -4,-3.0 -16,-0.2 -5,-0.2 3,-0.1 -0.383 58.1-153.4 -74.5 151.0 77.6 82.1 17.6 108 108 A D S S+ 0 0 24 -18,-2.2 2,-0.3 1,-0.3 -17,-0.2 0.580 84.2 27.2-100.8 -15.0 80.1 80.3 19.9 109 109 A V E S-e 91 0B 0 -19,-1.2 -17,-1.6 22,-0.1 2,-0.4 -0.972 72.9-147.7-143.5 138.8 80.0 77.0 18.0 110 110 A L E -ef 92 133B 0 22,-2.4 24,-2.5 -2,-0.3 2,-0.4 -0.910 14.6-148.5-109.8 134.8 79.3 76.5 14.3 111 111 A Q E -ef 93 134B 3 -19,-2.5 -17,-2.3 -2,-0.4 24,-0.2 -0.858 6.6-145.5-111.2 136.6 77.6 73.4 13.0 112 112 A V E - f 0 135B 0 22,-2.7 24,-2.2 -2,-0.4 5,-0.1 -0.876 31.6-120.5 -92.0 119.4 78.0 71.5 9.7 113 113 A P >> - 0 0 12 0, 0.0 3,-1.1 0, 0.0 4,-0.6 -0.261 20.1-115.4 -63.4 147.7 74.6 70.0 8.6 114 114 A A G >4 S+ 0 0 9 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.871 113.1 46.8 -49.9 -50.0 74.5 66.2 8.1 115 115 A F G 34 S+ 0 0 12 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.748 116.0 47.2 -67.6 -21.7 73.8 66.2 4.3 116 116 A L G X4 S+ 0 0 5 -3,-1.1 3,-2.0 1,-0.2 -1,-0.2 0.347 74.2 106.0-104.4 2.5 76.5 68.8 3.7 117 117 A A T << S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.675 81.1 52.2 -62.3 -17.7 79.4 67.4 5.7 118 118 A R T 3 S+ 0 0 38 -3,-0.3 2,-1.0 -4,-0.2 -1,-0.3 0.528 79.7 110.0 -89.4 -6.1 81.3 66.2 2.5 119 119 A Q <> - 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0 0 1 -2,-0.4 3,-2.1 1,-0.1 4,-0.4 -0.414 28.1-114.5 -72.7 151.0 80.5 55.3 8.1 143 143 A P G > S+ 0 0 0 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.759 112.5 59.7 -61.7 -24.7 82.0 56.3 11.5 144 144 A T G 3 S+ 0 0 3 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.382 96.7 62.3 -83.8 0.5 85.6 55.7 10.3 145 145 A Q G X> S+ 0 0 8 -3,-2.1 3,-1.4 1,-0.1 4,-0.5 0.507 75.7 86.9-101.9 -5.8 85.3 58.3 7.5 146 146 A L H X> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.4 3,-1.2 0.835 71.9 78.2 -60.4 -29.9 84.8 61.3 9.7 147 147 A K H 3> S+ 0 0 55 1,-0.3 4,-2.3 -4,-0.2 -1,-0.3 0.824 88.3 56.9 -44.8 -38.2 88.5 61.7 9.9 148 148 A H H <> S+ 0 0 13 -3,-1.4 4,-1.4 2,-0.2 471,-0.3 0.836 104.8 49.7 -68.1 -34.3 88.5 63.2 6.4 149 149 A V H <>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 3,-0.9 0.938 115.2 49.6 -65.4 -45.0 89.1 71.7 9.2 154 154 A G H ><5S+ 0 0 38 -4,-2.8 3,-2.5 1,-0.2 -1,-0.2 0.878 99.4 65.5 -58.1 -43.4 92.7 71.0 10.3 155 155 A E H 3<5S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 106.8 43.3 -54.8 -28.3 94.1 71.9 6.8 156 156 A V T <<5S- 0 0 49 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.136 128.6 -91.9-105.9 20.5 92.9 75.5 7.4 157 157 A G T < 5S+ 0 0 71 -3,-2.5 2,-0.7 1,-0.2 -3,-0.2 0.578 85.5 122.4 89.6 11.8 94.1 75.8 11.0 158 158 A N < + 0 0 8 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.897 19.6 162.4-111.9 107.9 91.1 74.7 13.1 159 159 A D + 0 0 73 -2,-0.7 2,-0.9 1,-0.1 -1,-0.1 0.179 51.7 97.8-106.4 16.3 91.7 71.8 15.4 160 160 A R + 0 0 95 -29,-0.1 -27,-2.6 -33,-0.1 2,-0.4 -0.637 53.4 146.9-102.3 74.3 88.7 72.4 17.6 161 161 A V E -g 133 0B 1 -2,-0.9 2,-0.3 -29,-0.2 -27,-0.2 -0.917 29.0-166.6-118.1 131.2 86.3 69.9 16.0 162 162 A M E -g 134 0B 0 -29,-3.1 -27,-2.5 -2,-0.4 2,-0.5 -0.861 14.4-138.7-115.2 153.2 83.6 67.8 17.6 163 163 A L E -gh 135 194B 0 30,-2.8 32,-3.2 -2,-0.3 2,-0.6 -0.945 14.4-158.9-121.9 121.8 81.8 64.8 16.0 164 164 A C E -gh 136 195B 0 -29,-2.9 -27,-2.9 -2,-0.5 2,-0.3 -0.890 7.3-147.1-116.4 114.3 78.0 64.3 16.4 165 165 A E E + h 0 196B 1 30,-2.8 32,-3.0 -2,-0.6 36,-0.2 -0.568 27.6 159.3 -70.4 128.8 76.2 61.1 16.0 166 166 A R - 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0 0 6 -2,-0.4 2,-1.0 -10,-0.2 -280,-0.4 -0.914 13.1-152.6 -98.5 116.0 72.0 46.6 17.5 460 178 B D > - 0 0 6 -2,-0.7 3,-1.9 1,-0.2 4,-0.3 -0.744 3.6-163.6 -86.1 103.5 69.0 48.9 17.4 461 179 B M T > S+ 0 0 1 -2,-1.0 3,-0.7 -284,-0.5 4,-0.4 0.714 85.3 66.1 -65.9 -16.4 68.6 50.0 21.1 462 180 B L T 3> S+ 0 0 6 1,-0.2 4,-1.0 2,-0.1 -1,-0.3 0.647 87.4 71.6 -72.0 -16.9 64.9 51.2 20.3 463 181 B G H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.707 79.4 71.8 -78.4 -19.8 63.9 47.5 19.7 464 182 B F H <> S+ 0 0 4 -3,-0.7 4,-2.2 -4,-0.3 -1,-0.2 0.951 103.3 41.7 -58.5 -51.6 64.1 46.4 23.4 465 183 B R H > S+ 0 0 49 -4,-0.4 4,-3.0 2,-0.2 5,-0.3 0.858 112.9 54.4 -65.3 -38.1 60.9 48.4 24.2 466 184 B Q H X S+ 0 0 46 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.939 109.2 48.3 -61.5 -45.0 59.2 47.3 21.0 467 185 B M H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 7,-0.3 0.950 116.7 42.6 -58.5 -50.5 59.9 43.6 21.9 468 186 B A H ><>S+ 0 0 15 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.910 117.1 44.6 -61.9 -50.1 58.6 44.1 25.4 469 187 B E H ><5S+ 0 0 86 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.850 111.4 50.2 -73.3 -36.0 55.5 46.2 24.6 470 188 B T H 3<5S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.600 112.1 49.8 -79.9 -6.5 54.2 44.2 21.6 471 189 B T T <<5S- 0 0 21 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.129 121.5 -96.4-114.8 19.4 54.4 40.9 23.6 472 190 B G T < 5S- 0 0 72 -3,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.672 85.6 -49.6 71.2 17.8 52.6 41.9 26.8 473 191 B G S + u 0 509G 0 -32,-2.9 4,-1.1 -2,-0.6 31,-0.2 -0.721 16.9 174.4 -85.6 94.2 73.2 38.8 23.8 480 198 B V H > S+ 0 0 0 29,-1.6 4,-0.5 -2,-1.2 -1,-0.2 0.859 71.2 58.7 -72.0 -31.4 76.3 41.0 23.6 481 199 B T H >4 S+ 0 0 2 28,-0.8 3,-1.0 1,-0.2 -1,-0.2 0.951 111.3 35.9 -64.4 -54.0 78.5 38.1 22.3 482 200 B H H >4 S+ 0 0 40 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.695 108.9 65.5 -78.4 -18.0 76.7 37.2 19.1 483 201 B S H 3< S+ 0 0 3 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.610 94.2 63.3 -67.7 -19.5 75.8 40.9 18.4 484 202 B L T << + 0 0 38 -3,-1.0 2,-1.6 -4,-0.5 -1,-0.2 0.128 63.5 108.1 -95.9 13.1 79.5 41.4 18.0 485 203 B Q < + 0 0 62 -3,-1.1 2,-0.2 -29,-0.0 -1,-0.1 -0.445 65.2 114.8 -78.6 56.1 79.7 39.1 15.0 486 204 B C S S- 0 0 29 -2,-1.6 2,-0.2 -30,-0.2 -30,-0.1 -0.594 77.9 -79.4-120.0 176.0 80.1 42.5 13.3 487 205 B R - 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