==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUL-08 3DNF . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR I.REKITTKE . 563 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 16.0 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 . 0 0.0 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 . 51 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 2 0 4 5 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 10 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 0 176 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.3 42.5 40.5 2.6 2 2 A V + 0 0 94 255,-0.1 2,-0.3 2,-0.0 255,-0.1 -0.320 360.0 168.7 -64.4 135.0 45.7 39.7 0.7 3 3 A D E -a 257 0A 83 253,-0.5 255,-1.2 -2,-0.1 2,-0.5 -0.999 40.3-163.5-153.3 137.6 47.9 37.1 2.4 4 4 A I E -a 258 0A 63 -2,-0.3 2,-0.4 253,-0.2 255,-0.2 -0.938 42.9-168.8-117.4 104.1 50.9 34.8 1.9 5 5 A I E -a 259 0A 57 253,-2.4 255,-2.4 -2,-0.5 2,-0.6 -0.785 29.7-146.8-113.9 134.2 50.4 32.5 4.9 6 6 A I E -a 260 0A 48 -2,-0.4 255,-0.2 253,-0.2 3,-0.1 -0.860 38.1-117.7 -89.2 123.2 52.3 29.8 6.7 7 7 A A > - 0 0 7 253,-4.0 3,-1.5 -2,-0.6 196,-0.1 -0.300 30.4-105.7 -58.9 136.8 49.9 27.1 8.0 8 8 A E T 3 S+ 0 0 137 1,-0.2 194,-0.1 194,-0.1 -1,-0.1 -0.357 106.9 25.7 -59.2 146.1 49.7 26.7 11.7 9 9 A H T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.537 84.9 155.2 73.8 10.9 51.4 23.5 12.9 10 10 A A < - 0 0 4 -3,-1.5 -1,-0.3 250,-0.1 2,-0.2 -0.449 56.3 -8.4 -66.1 137.1 53.7 23.5 9.8 11 11 A G S S+ 0 0 0 251,-2.3 188,-0.1 205,-0.2 251,-0.1 -0.505 115.4 32.8 83.3-137.8 57.0 21.6 10.4 12 12 A F S S- 0 0 12 254,-0.8 253,-0.1 -2,-0.2 252,-0.1 -0.195 81.7-115.1 -60.3 144.2 58.2 20.3 13.8 13 13 A C > - 0 0 37 251,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.249 35.3 -93.0 -69.2 165.7 55.6 19.1 16.3 14 14 A F H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 122.8 49.8 -44.2 -57.8 54.9 20.9 19.6 15 15 A G H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.826 113.4 44.4 -57.3 -37.0 57.3 18.7 21.6 16 16 A V H > S+ 0 0 21 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.927 111.5 52.7 -78.6 -43.5 60.2 19.0 19.2 17 17 A K H X S+ 0 0 70 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 112.7 46.8 -52.5 -45.6 59.8 22.8 18.8 18 18 A R H X S+ 0 0 83 -4,-2.4 4,-3.0 -5,-0.3 -2,-0.2 0.921 110.0 51.7 -65.2 -46.2 59.8 23.0 22.6 19 19 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 111.0 48.6 -56.1 -44.3 62.9 20.8 23.0 20 20 A V H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.940 112.0 49.0 -62.1 -44.4 64.7 23.0 20.4 21 21 A K H X S+ 0 0 117 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.923 111.0 49.3 -57.9 -49.0 63.7 26.1 22.3 22 22 A L H X S+ 0 0 46 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.886 111.7 50.2 -60.5 -38.6 64.8 24.6 25.7 23 23 A A H X S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.2 3,-0.3 0.942 111.8 46.8 -64.3 -50.8 68.2 23.6 24.1 24 24 A E H >< S+ 0 0 60 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.885 112.1 50.1 -59.9 -42.3 68.8 27.1 22.6 25 25 A E H >< S+ 0 0 122 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.795 98.0 68.5 -70.6 -25.8 67.9 28.9 25.9 26 26 A S H 3< S+ 0 0 13 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.703 86.7 69.8 -64.1 -20.4 70.2 26.6 27.9 27 27 A L T X< S+ 0 0 46 -3,-1.0 3,-1.6 -4,-0.5 -1,-0.2 0.877 79.1 86.3 -70.3 -39.6 73.2 28.3 26.2 28 28 A K T < S- 0 0 163 -3,-0.7 3,-0.1 -4,-0.5 0, 0.0 -0.463 110.7 -1.1 -58.1 124.4 72.6 31.6 28.1 29 29 A E T 3 S+ 0 0 166 1,-0.2 2,-0.6 -2,-0.2 -1,-0.3 0.690 88.6 153.5 64.1 21.6 74.4 31.4 31.4 30 30 A S < - 0 0 40 -3,-1.6 -1,-0.2 1,-0.2 4,-0.1 -0.725 25.5-171.3 -76.3 121.8 75.7 27.8 30.8 31 31 A Q + 0 0 202 -2,-0.6 -1,-0.2 35,-0.2 2,-0.1 0.764 69.6 34.2 -86.2 -24.7 78.8 27.5 32.9 32 32 A G S S- 0 0 25 34,-0.5 2,-0.2 1,-0.1 35,-0.2 -0.340 106.3 -62.7-110.0-166.2 79.7 24.1 31.4 33 33 A K - 0 0 95 -2,-0.1 35,-2.8 31,-0.1 2,-0.5 -0.594 50.3-129.7 -79.4 145.6 79.4 22.4 28.0 34 34 A V E +de 55 68B 2 20,-0.7 22,-3.2 -2,-0.2 2,-0.4 -0.890 30.3 176.7-105.5 123.6 75.8 21.9 26.7 35 35 A Y E -de 56 69B 18 33,-2.9 35,-2.2 -2,-0.5 2,-0.4 -0.919 25.9-145.0-121.9 144.0 74.7 18.4 25.5 36 36 A T E -de 57 70B 3 20,-2.2 22,-2.7 -2,-0.4 2,-1.4 -0.821 41.1-107.6 -93.0 146.5 71.6 16.8 24.3 37 37 A L S S- 0 0 25 33,-2.7 35,-0.3 -2,-0.4 22,-0.1 -0.672 92.6 -30.1 -76.5 92.4 71.3 13.1 25.3 38 38 A G S S- 0 0 13 -2,-1.4 20,-0.4 20,-0.1 21,-0.1 -0.075 119.3 -29.6 69.9 178.9 72.0 11.8 21.8 39 39 A P - 0 0 54 0, 0.0 -2,-0.1 0, 0.0 17,-0.0 -0.353 61.5-129.0 -63.0 139.5 71.0 13.9 18.8 40 40 A I S S- 0 0 7 3,-0.1 33,-0.4 32,-0.1 2,-0.3 0.754 83.3 -9.9 -68.9 -26.4 67.9 16.0 19.6 41 41 A I S S- 0 0 27 2,-0.2 2,-1.2 31,-0.1 6,-0.1 -0.940 79.0 -91.9-152.7 172.2 66.1 14.7 16.5 42 42 A H S S+ 0 0 177 -2,-0.3 -2,-0.0 4,-0.0 0, 0.0 -0.787 88.8 100.8 -88.8 85.2 66.7 12.8 13.3 43 43 A N > - 0 0 17 -2,-1.2 4,-2.3 223,-0.0 3,-0.3 -0.603 55.7-161.6-163.8 103.7 67.5 15.7 11.0 44 44 A P H > S+ 0 0 107 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.834 89.0 55.2 -61.2 -37.6 71.3 16.1 10.6 45 45 A Q H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.872 110.9 43.8 -63.5 -41.9 71.0 19.8 9.4 46 46 A E H > S+ 0 0 5 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.881 113.4 50.8 -71.3 -40.1 69.1 20.8 12.5 47 47 A V H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 112.6 48.8 -60.9 -40.2 71.5 18.8 14.7 48 48 A N H X S+ 0 0 88 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.872 107.3 54.2 -64.5 -41.4 74.3 20.6 12.9 49 49 A R H X S+ 0 0 59 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.926 111.3 45.3 -60.8 -44.8 72.6 24.0 13.4 50 50 A L H >X>S+ 0 0 3 -4,-2.3 5,-2.6 2,-0.2 4,-1.0 0.882 109.3 55.5 -66.9 -38.6 72.5 23.4 17.2 51 51 A K H ><5S+ 0 0 98 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.913 103.4 55.2 -58.7 -46.3 76.1 22.1 17.3 52 52 A N H 3<5S+ 0 0 122 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.702 108.4 49.1 -57.3 -25.9 77.3 25.4 15.7 53 53 A L H <<5S- 0 0 90 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.615 130.5 -94.3 -88.0 -17.2 75.5 27.3 18.5 54 54 A G T <<5S+ 0 0 19 -4,-1.0 -20,-0.7 -3,-0.8 2,-0.7 0.593 85.1 126.7 114.1 15.5 77.2 25.1 21.2 55 55 A V E < -d 34 0B 2 -5,-2.6 -1,-0.3 -8,-0.1 -20,-0.2 -0.926 44.5-161.1-105.5 108.2 74.6 22.3 21.8 56 56 A F E -d 35 0B 58 -22,-3.2 -20,-2.2 -2,-0.7 2,-0.6 -0.783 18.5-128.6 -98.5 131.9 76.4 19.1 21.3 57 57 A P E -d 36 0B 33 0, 0.0 -20,-0.2 0, 0.0 -22,-0.0 -0.655 35.7-124.8 -74.6 117.7 74.8 15.7 20.7 58 58 A S - 0 0 17 -22,-2.7 -20,-0.1 -2,-0.6 3,-0.0 -0.359 20.7-166.0 -68.7 145.8 76.4 13.3 23.3 59 59 A Q - 0 0 189 -21,-0.1 -1,-0.1 -22,-0.1 2,-0.1 0.711 67.7 -37.6 -96.7 -33.6 78.1 10.1 22.1 60 60 A G S S- 0 0 46 -22,-0.0 3,-0.1 0, 0.0 -22,-0.1 -0.215 102.6 -35.2-156.0-114.8 78.4 8.3 25.4 61 61 A E S S+ 0 0 114 1,-0.1 -3,-0.0 -2,-0.1 0, 0.0 -0.284 86.2 124.4-125.3 42.1 79.0 9.3 29.0 62 62 A E + 0 0 70 2,-0.1 -1,-0.1 0, 0.0 2,-0.0 0.675 41.4 99.7 -85.3 -15.6 81.5 12.1 28.1 63 63 A F - 0 0 4 -3,-0.1 2,-0.3 1,-0.1 26,-0.1 -0.356 58.5-158.6 -70.7 146.7 79.7 15.0 29.9 64 64 A K > - 0 0 140 1,-0.1 3,-2.7 -31,-0.1 -31,-0.1 -0.792 34.0 -54.3-124.6 172.2 81.1 15.9 33.4 65 65 A E T 3 S+ 0 0 154 1,-0.3 24,-0.2 -2,-0.3 23,-0.2 -0.122 125.2 23.6 -44.5 129.0 80.1 17.6 36.6 66 66 A G T 3 S+ 0 0 42 22,-2.6 -34,-0.5 1,-0.4 -1,-0.3 0.186 95.5 120.7 95.0 -16.8 78.8 21.1 35.8 67 67 A D < - 0 0 8 -3,-2.7 23,-2.9 -35,-0.2 2,-0.4 -0.364 63.7-120.7 -72.2 161.6 77.9 20.2 32.2 68 68 A T E -ef 34 90B 3 -35,-2.8 -33,-2.9 21,-0.2 2,-0.4 -0.894 24.6-169.0-106.5 133.9 74.2 20.6 31.0 69 69 A V E -ef 35 91B 0 21,-2.3 23,-2.9 -2,-0.4 2,-0.6 -0.993 8.3-153.0-123.2 129.5 72.4 17.5 29.6 70 70 A I E -ef 36 92B 0 -35,-2.2 -33,-2.7 -2,-0.4 2,-0.3 -0.915 13.2-137.8-106.9 120.7 69.1 17.9 27.8 71 71 A I E - f 0 93B 0 21,-2.5 23,-1.1 -2,-0.6 -33,-0.1 -0.587 30.6-115.5 -74.4 131.3 66.7 14.8 27.9 72 72 A R > - 0 0 53 -35,-0.3 3,-2.3 -2,-0.3 -1,-0.1 -0.123 28.5 -97.4 -66.8 166.1 65.1 14.3 24.5 73 73 A S T 3 S+ 0 0 29 -33,-0.4 23,-2.6 1,-0.3 26,-0.2 0.765 121.8 62.2 -58.8 -27.6 61.4 14.6 23.8 74 74 A H T 3 S- 0 0 30 21,-0.2 -1,-0.3 1,-0.1 55,-0.2 0.627 100.2-146.7 -76.7 -6.5 60.9 10.9 24.1 75 75 A G < - 0 0 1 -3,-2.3 54,-0.2 54,-0.1 -1,-0.1 0.049 3.6-114.1 68.7-177.6 62.1 11.0 27.8 76 76 A I - 0 0 18 53,-0.1 53,-0.1 52,-0.1 5,-0.0 -0.959 38.9 -72.1-150.3 161.8 64.0 8.4 29.8 77 77 A P >> - 0 0 18 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.238 45.3-119.6 -57.3 145.9 63.4 6.2 32.9 78 78 A P H 3> S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.850 112.0 55.2 -62.7 -32.8 63.2 8.1 36.1 79 79 A E H 3> S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.789 107.4 50.4 -68.2 -26.2 66.2 6.2 37.7 80 80 A K H <> S+ 0 0 113 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.933 109.7 49.7 -75.2 -42.6 68.4 7.2 34.7 81 81 A E H X S+ 0 0 21 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.935 112.7 49.0 -58.6 -44.9 67.4 10.9 35.0 82 82 A E H X S+ 0 0 85 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 107.0 54.0 -61.6 -41.7 68.2 10.6 38.7 83 83 A A H X S+ 0 0 57 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.865 107.6 52.0 -58.6 -38.7 71.6 9.0 37.9 84 84 A L H <>S+ 0 0 5 -4,-2.2 5,-1.4 2,-0.2 3,-0.5 0.922 109.9 47.6 -66.6 -42.3 72.4 12.0 35.7 85 85 A R H ><5S+ 0 0 108 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.911 107.4 57.4 -61.2 -40.5 71.6 14.5 38.5 86 86 A K H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.755 97.7 61.6 -65.5 -23.3 73.7 12.4 40.9 87 87 A K T 3<5S- 0 0 73 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.542 121.8-107.4 -78.7 -5.8 76.7 12.9 38.5 88 88 A G T < 5S+ 0 0 33 -3,-2.1 -22,-2.6 1,-0.3 2,-0.3 0.699 70.1 146.6 87.0 22.2 76.4 16.7 39.1 89 89 A L < - 0 0 10 -5,-1.4 2,-0.9 -24,-0.2 -1,-0.3 -0.644 55.8-119.7 -88.5 145.1 75.0 17.5 35.7 90 90 A K E -f 68 0B 123 -23,-2.9 -21,-2.3 -2,-0.3 2,-0.5 -0.789 36.6-151.0 -82.2 111.1 72.5 20.3 35.1 91 91 A V E -f 69 0B 15 -2,-0.9 2,-0.6 -23,-0.2 -21,-0.2 -0.717 15.0-168.2 -96.0 124.1 69.6 18.4 33.8 92 92 A I E -f 70 0B 25 -23,-2.9 -21,-2.5 -2,-0.5 2,-1.2 -0.944 16.0-146.4-107.5 117.9 67.1 20.1 31.4 93 93 A D E +f 71 0B 48 -2,-0.6 -21,-0.1 -23,-0.2 -23,-0.1 -0.698 28.6 165.5 -92.8 97.8 64.1 17.9 30.9 94 94 A A + 0 0 0 -2,-1.2 -75,-0.2 -23,-1.1 -1,-0.2 0.155 23.8 143.5 -92.7 18.7 62.8 18.3 27.4 95 95 A T - 0 0 4 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.347 62.3-101.7 -53.0 132.1 60.5 15.3 27.5 96 96 A C >> - 0 0 13 -23,-2.6 4,-2.3 1,-0.1 3,-0.7 -0.382 19.8-128.2 -57.8 132.8 57.4 16.1 25.6 97 97 A P H 3> S+ 0 0 51 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.820 112.6 55.4 -51.7 -32.9 54.4 17.0 27.8 98 98 A Y H 3> S+ 0 0 83 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.861 107.6 48.2 -65.4 -34.3 52.4 14.4 25.8 99 99 A V H X> S+ 0 0 3 -3,-0.7 4,-1.9 2,-0.2 3,-0.8 0.933 108.9 53.0 -68.3 -42.8 55.0 11.8 26.8 100 100 A K H 3X S+ 0 0 49 -4,-2.3 4,-2.3 1,-0.3 -2,-0.2 0.830 103.1 59.7 -58.6 -35.7 54.8 13.0 30.4 101 101 A A H 3X S+ 0 0 47 -4,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.817 103.6 49.7 -63.9 -30.2 51.1 12.4 30.1 102 102 A V H S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 -1,-0.2 0.837 109.6 52.6 -57.3 -39.5 46.0 3.2 36.2 110 110 A T H ><5S+ 0 0 25 -4,-1.4 3,-1.7 3,-0.2 -1,-0.2 0.922 108.2 50.8 -64.5 -44.4 48.3 1.4 38.7 111 111 A R H 3<5S+ 0 0 174 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.836 108.7 52.1 -62.9 -30.3 46.8 3.3 41.5 112 112 A E T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.369 124.2-105.4 -86.4 -0.6 43.3 2.4 40.3 113 113 A G T < 5 + 0 0 48 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.671 68.1 145.3 85.8 27.1 44.4 -1.3 40.3 114 114 A Y < - 0 0 8 -5,-2.6 2,-0.5 45,-0.1 26,-0.4 -0.677 51.4-128.6 -95.6 142.4 44.8 -2.1 36.5 115 115 A F E -g 159 0C 13 43,-2.5 45,-2.8 -2,-0.3 2,-0.4 -0.801 44.1-125.1 -78.4 132.3 47.3 -4.4 34.9 116 116 A V E -gh 160 141C 2 24,-2.9 26,-2.2 -2,-0.5 2,-0.5 -0.686 26.5-169.7-100.1 132.5 48.8 -2.0 32.3 117 117 A V E -gh 161 142C 0 43,-3.4 45,-2.8 -2,-0.4 2,-0.6 -0.956 6.0-164.8-112.2 126.3 49.0 -2.5 28.5 118 118 A L E -gh 162 143C 3 24,-2.6 26,-2.9 -2,-0.5 2,-0.7 -0.958 13.1-147.3-112.1 113.3 51.1 0.0 26.6 119 119 A V E +gh 163 144C 0 43,-2.8 45,-2.9 -2,-0.6 2,-0.3 -0.789 55.7 80.9 -86.5 117.9 50.4 -0.2 22.9 120 120 A G S S- 0 0 2 24,-1.6 2,-0.6 -2,-0.7 -2,-0.1 -0.979 84.6 -45.5 169.4-173.5 53.6 0.7 21.1 121 121 A E > - 0 0 93 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.778 43.4-144.0 -95.2 117.1 57.0 -0.5 19.8 122 122 A K T 3 S+ 0 0 97 -2,-0.6 -1,-0.1 1,-0.3 22,-0.0 0.792 96.7 44.7 -48.2 -41.8 59.0 -2.5 22.5 123 123 A N T 3 S+ 0 0 136 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.449 84.9 118.0 -87.8 -0.1 62.4 -1.1 21.6 124 124 A H <> - 0 0 53 -3,-2.0 4,-2.4 1,-0.1 3,-0.3 -0.476 68.4-131.7 -76.3 135.1 61.4 2.5 21.3 125 125 A P H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.858 107.6 55.5 -52.2 -35.2 63.1 4.9 23.8 126 126 A E H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.960 110.0 45.1 -62.4 -44.8 59.6 6.4 24.6 127 127 A V H > S+ 0 0 0 -6,-0.3 4,-2.7 -3,-0.3 -1,-0.2 0.905 111.5 51.8 -65.9 -43.5 58.3 3.0 25.6 128 128 A I H X S+ 0 0 82 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.905 110.2 51.0 -59.1 -42.4 61.4 2.1 27.6 129 129 A G H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.930 109.8 48.7 -57.5 -46.3 60.9 5.4 29.4 130 130 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.3 3,-0.2 0.899 106.5 55.6 -68.4 -38.6 57.3 4.7 30.2 131 131 A L H X S+ 0 0 53 -4,-2.7 4,-2.7 1,-0.2 -1,-0.3 0.868 104.7 55.4 -56.5 -35.8 58.1 1.2 31.5 132 132 A G H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.871 108.7 47.0 -64.8 -38.9 60.5 2.9 33.9 133 133 A Y H X S+ 0 0 37 -4,-1.5 4,-1.8 -3,-0.2 -2,-0.2 0.891 110.8 51.3 -67.2 -43.3 57.7 5.1 35.2 134 134 A L H <>S+ 0 0 10 -4,-2.6 5,-3.1 1,-0.2 -2,-0.2 0.932 112.3 47.4 -58.4 -47.1 55.4 2.1 35.5 135 135 A R H ><5S+ 0 0 139 -4,-2.7 3,-1.9 3,-0.2 -2,-0.2 0.926 107.9 55.4 -58.2 -45.6 58.1 0.3 37.5 136 136 A A H 3<5S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.4 47.8 -64.3 -32.2 58.8 3.3 39.8 137 137 A a T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.187 120.2-108.9 -93.6 20.6 55.1 3.5 40.8 138 138 A N T < 5 + 0 0 152 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.840 69.8 147.0 58.1 39.2 55.0 -0.3 41.5 139 139 A G < - 0 0 18 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.470 36.5-145.6 -97.4 168.3 52.8 -1.0 38.5 140 140 A K + 0 0 131 -26,-0.4 -24,-2.9 -2,-0.2 2,-0.3 -0.988 36.1 114.1-135.7 146.7 52.8 -4.1 36.3 141 141 A G E -h 116 0C 25 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.989 41.4-115.9 172.3-177.7 52.2 -4.4 32.7 142 142 A I E -h 117 0C 39 -26,-2.2 -24,-2.6 -2,-0.3 2,-0.5 -0.888 24.2-109.3-139.6 164.1 53.4 -5.2 29.2 143 143 A V E -h 118 0C 15 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.834 24.7-155.8 -94.4 131.6 54.0 -3.7 25.8 144 144 A V E +h 119 0C 0 -26,-2.9 -24,-1.6 -2,-0.5 3,-0.1 -0.935 29.3 153.7-110.9 108.2 51.7 -4.7 23.0 145 145 A E S S+ 0 0 85 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.685 72.5 18.9-102.8 -33.0 53.3 -4.3 19.6 146 146 A T S > S- 0 0 71 1,-0.0 3,-2.1 29,-0.0 -1,-0.3 -0.932 88.3-103.2-130.9 164.2 51.3 -6.9 17.7 147 147 A L G > S+ 0 0 59 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.833 117.3 67.9 -58.5 -29.5 48.0 -8.6 18.5 148 148 A E G > S+ 0 0 173 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.771 88.9 67.2 -57.8 -27.3 49.9 -11.8 19.6 149 149 A D G X S+ 0 0 35 -3,-2.1 3,-0.5 1,-0.2 4,-0.4 0.588 79.6 79.7 -70.6 -12.6 51.3 -9.7 22.6 150 150 A I G X> + 0 0 12 -3,-1.9 4,-1.3 -4,-0.3 3,-0.9 0.734 64.7 91.4 -75.2 -16.4 47.9 -9.4 24.3 151 151 A G G <4 S+ 0 0 40 -3,-0.9 4,-0.4 1,-0.3 3,-0.4 0.814 84.2 50.7 -47.9 -48.6 47.9 -13.0 25.9 152 152 A E G X4 S+ 0 0 84 -3,-0.5 3,-1.2 1,-0.2 -1,-0.3 0.890 108.8 52.3 -58.1 -40.5 49.5 -12.0 29.2 153 153 A A G X4 S+ 0 0 0 -3,-0.9 3,-1.7 -4,-0.4 -1,-0.2 0.806 97.8 67.0 -67.6 -28.0 47.0 -9.1 29.7 154 154 A L G 3< S+ 0 0 49 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.616 86.5 69.4 -70.8 -12.0 44.1 -11.6 29.1 155 155 A K G < S+ 0 0 153 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 0.553 91.1 79.5 -75.8 -10.2 45.0 -13.3 32.4 156 156 A H < - 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