==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-OCT-09 3KEF . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GROLL,T.GRAEWERT,I.SPAN,W.EISENREICH,A.BACHER . 618 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 36 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 1 2 0 4 0 0 2 2 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 8 6 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 4 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 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 55 0, 0.0 287,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.2 2.4 -11.2 -10.6 2 2 A Q E -a 261 0A 83 258,-2.7 260,-2.7 285,-0.2 2,-0.6 -0.696 360.0-151.1 -88.6 135.8 -0.1 -10.5 -7.8 3 3 A I E -ab 262 290A 0 286,-0.6 288,-3.4 -2,-0.4 2,-0.4 -0.932 14.4-174.4-109.7 119.0 -3.8 -10.6 -8.5 4 4 A L E -ab 263 291A 3 258,-2.4 260,-2.6 -2,-0.6 2,-0.5 -0.887 10.9-150.6-113.2 144.4 -6.0 -8.4 -6.4 5 5 A L E -ab 264 292A 7 286,-2.5 288,-2.7 -2,-0.4 260,-0.2 -0.961 18.0-124.5-117.0 129.5 -9.8 -8.4 -6.5 6 6 A A - 0 0 0 258,-2.5 201,-0.1 -2,-0.5 289,-0.1 -0.339 30.3-118.9 -67.3 151.1 -11.9 -5.3 -5.7 7 7 A N S S+ 0 0 45 287,-0.2 289,-0.5 1,-0.2 2,-0.1 -0.944 93.7 27.0-144.7 119.4 -14.5 -5.7 -2.9 8 8 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.522 88.4 147.5 -77.9 165.7 -17.4 -5.2 -3.5 9 9 A R + 0 0 56 -2,-0.1 258,-0.2 2,-0.1 263,-0.1 -0.953 38.0 14.1-153.6 163.9 -17.5 -6.1 -7.2 10 10 A G S S+ 0 0 6 256,-2.1 193,-0.1 -2,-0.3 256,-0.1 -0.166 93.4 37.6 70.6-157.7 -20.0 -7.6 -9.7 11 11 A F - 0 0 66 259,-0.7 2,-0.2 258,-0.1 258,-0.2 0.103 58.1-163.3 -36.8 129.3 -23.7 -8.2 -9.3 12 12 A C > - 0 0 20 256,-1.3 4,-1.8 1,-0.0 5,-0.2 -0.496 37.4 -98.2-103.4 178.0 -25.8 -5.7 -7.5 13 13 A A H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 289,-0.4 0.843 120.0 53.0 -71.4 -33.5 -29.3 -6.4 -6.1 14 14 A G H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 110.3 47.3 -69.6 -37.8 -31.2 -4.8 -9.1 15 15 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.918 110.3 50.7 -69.7 -44.2 -29.3 -6.9 -11.7 16 16 A D H X S+ 0 0 80 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.916 113.8 46.7 -61.5 -39.7 -29.7 -10.2 -9.9 17 17 A R H X S+ 0 0 19 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.937 111.3 50.5 -66.3 -47.1 -33.5 -9.5 -9.6 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.915 112.3 45.8 -58.9 -46.5 -33.8 -8.4 -13.2 19 19 A I H X S+ 0 0 12 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.906 111.9 52.4 -64.7 -39.6 -32.1 -11.5 -14.6 20 20 A S H X S+ 0 0 26 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.856 104.4 57.0 -64.5 -34.4 -34.1 -13.7 -12.3 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.920 111.0 42.5 -62.8 -43.0 -37.3 -12.2 -13.6 22 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.946 115.5 48.8 -69.0 -47.6 -36.4 -13.1 -17.1 23 23 A E H X S+ 0 0 97 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.914 114.0 45.9 -58.2 -45.3 -35.2 -16.6 -16.2 24 24 A N H X S+ 0 0 49 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.891 110.0 53.6 -66.7 -38.8 -38.3 -17.3 -14.1 25 25 A A H X>S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 5,-0.6 0.911 110.2 48.7 -61.3 -41.8 -40.6 -16.0 -16.8 26 26 A L H X5S+ 0 0 19 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.911 112.4 47.6 -63.6 -43.0 -38.9 -18.3 -19.3 27 27 A A H <5S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.852 119.4 39.3 -67.7 -34.7 -39.3 -21.3 -16.9 28 28 A I H <5S+ 0 0 95 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.919 133.6 18.6 -82.2 -47.7 -43.0 -20.5 -16.2 29 29 A Y H <5S- 0 0 116 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.577 99.1-139.4-101.3 -12.7 -44.3 -19.5 -19.6 30 30 A G << + 0 0 30 -4,-1.6 -1,-0.1 -5,-0.6 -3,-0.1 -0.016 47.0 1.4 74.7 172.3 -41.6 -21.0 -21.8 31 31 A A S S+ 0 0 66 21,-0.1 23,-0.1 -4,-0.1 22,-0.1 -0.428 99.7 48.5 -74.7 150.8 -40.1 -19.3 -24.8 32 32 A P + 0 0 64 0, 0.0 2,-0.4 0, 0.0 36,-0.4 0.561 57.8 166.7 -96.5 157.7 -40.4 -16.8 -26.2 33 33 A I E -e 54 0B 0 20,-1.4 22,-2.6 34,-0.1 2,-0.3 -0.997 26.8-140.2-125.2 124.0 -40.3 -14.0 -23.6 34 34 A Y E -ef 55 69B 33 34,-2.7 36,-2.0 -2,-0.4 2,-0.4 -0.675 16.3-169.6 -89.2 141.4 -39.9 -10.4 -24.9 35 35 A V E -ef 56 70B 0 20,-2.5 22,-2.4 -2,-0.3 2,-0.9 -0.996 22.1-131.3-131.1 127.6 -37.7 -8.0 -23.1 36 36 A R E S-ef 57 71B 28 34,-2.9 36,-1.3 -2,-0.4 22,-0.2 -0.714 80.3 -17.5 -82.4 110.9 -37.5 -4.2 -23.8 37 37 A H S S- 0 0 24 20,-3.4 20,-0.2 -2,-0.9 21,-0.1 0.225 112.7 -44.3 74.6 158.0 -33.8 -3.4 -24.1 38 38 A E - 0 0 48 1,-0.2 35,-0.1 18,-0.1 3,-0.1 -0.340 58.9-127.8 -52.6 130.8 -31.0 -5.7 -22.9 39 39 A V S S- 0 0 0 33,-0.2 34,-2.1 1,-0.2 2,-0.3 0.883 91.9 -2.9 -52.3 -40.4 -32.2 -6.7 -19.4 40 40 A V S S- 0 0 1 2,-0.2 2,-2.2 32,-0.1 6,-0.2 -0.952 89.8 -98.3-145.1 154.1 -28.9 -5.6 -18.1 41 41 A H S S+ 0 0 9 -2,-0.3 181,-0.8 -3,-0.1 2,-0.4 -0.397 82.2 112.7 -79.7 67.3 -25.9 -4.2 -20.0 42 42 A N > - 0 0 0 -2,-2.2 4,-2.7 1,-0.1 5,-0.2 -0.948 54.8-153.9-140.9 117.8 -23.9 -7.4 -20.2 43 43 A R H > S+ 0 0 102 -2,-0.4 4,-3.3 1,-0.2 5,-0.3 0.885 96.7 52.2 -54.8 -45.6 -23.2 -9.3 -23.4 44 44 A Y H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 112.4 44.9 -58.8 -49.2 -22.8 -12.7 -21.7 45 45 A V H > S+ 0 0 8 224,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.934 117.2 44.8 -61.0 -48.0 -26.1 -12.4 -19.8 46 46 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.945 113.7 48.6 -63.3 -49.3 -28.0 -11.2 -22.9 47 47 A D H X S+ 0 0 78 -4,-3.3 4,-1.9 -5,-0.2 -1,-0.2 0.901 112.9 49.6 -57.2 -42.7 -26.4 -13.8 -25.2 48 48 A S H X S+ 0 0 55 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.922 111.9 46.4 -63.7 -46.1 -27.2 -16.5 -22.7 49 49 A L H <>S+ 0 0 3 -4,-2.4 5,-2.5 1,-0.2 4,-0.4 0.870 109.8 54.6 -65.6 -35.9 -30.8 -15.4 -22.3 50 50 A R H ><5S+ 0 0 118 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.912 105.3 53.1 -63.0 -41.2 -31.3 -15.2 -26.0 51 51 A E H 3<5S+ 0 0 131 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 107.6 54.0 -62.6 -29.3 -30.1 -18.7 -26.4 52 52 A R T 3<5S- 0 0 149 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.501 133.0 -86.3 -84.9 -5.5 -32.8 -19.6 -23.8 53 53 A G T < 5S+ 0 0 18 -3,-1.5 -20,-1.4 -4,-0.4 2,-0.3 0.484 80.5 138.1 115.8 2.6 -35.6 -18.0 -25.8 54 54 A A E < -e 33 0B 1 -5,-2.5 2,-0.5 -22,-0.2 -1,-0.3 -0.662 36.8-156.3 -83.5 136.4 -35.6 -14.4 -24.7 55 55 A I E -e 34 0B 64 -22,-2.6 -20,-2.5 -2,-0.3 2,-0.6 -0.963 5.9-151.3-116.1 118.0 -36.1 -11.8 -27.5 56 56 A F E +e 35 0B 30 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.802 22.1 169.0 -95.7 122.3 -34.7 -8.4 -26.9 57 57 A I E -e 36 0B 9 -22,-2.4 -20,-3.4 -2,-0.6 3,-0.1 -0.813 32.5-148.8-125.4 164.8 -36.4 -5.5 -28.7 58 58 A E S S+ 0 0 97 -2,-0.3 2,-0.4 -22,-0.2 -1,-0.1 0.735 81.4 44.5-104.2 -30.8 -36.3 -1.7 -28.4 59 59 A Q S > S- 0 0 119 1,-0.1 3,-2.1 -23,-0.0 -1,-0.2 -0.919 73.0-131.1-120.7 145.4 -39.8 -0.7 -29.3 60 60 A I G > S+ 0 0 3 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.771 105.3 71.7 -59.9 -27.1 -43.2 -2.1 -28.2 61 61 A S G 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.0 23,-0.0 0.571 89.5 62.5 -66.9 -7.5 -44.2 -2.3 -31.9 62 62 A E G < S+ 0 0 95 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.511 88.6 88.5 -92.6 -7.7 -41.7 -5.1 -32.2 63 63 A V S < S- 0 0 4 -3,-2.1 3,-0.1 -4,-0.2 6,-0.1 -0.815 76.2-130.1 -99.3 127.3 -43.7 -7.2 -29.7 64 64 A P > - 0 0 60 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 -0.273 34.8 -91.3 -68.9 155.7 -46.6 -9.5 -30.9 65 65 A D T 3 S+ 0 0 107 1,-0.2 24,-0.2 24,-0.1 3,-0.1 -0.368 111.2 23.6 -67.2 147.2 -50.0 -9.4 -29.3 66 66 A G T 3 S+ 0 0 42 22,-4.3 -1,-0.2 1,-0.3 23,-0.2 0.415 96.2 131.7 78.5 -2.7 -50.6 -11.8 -26.5 67 67 A A < - 0 0 13 -3,-1.4 23,-2.2 21,-0.4 2,-0.5 -0.264 62.1-113.3 -79.1 167.2 -46.9 -11.9 -25.8 68 68 A I E - g 0 90B 26 -36,-0.4 -34,-2.7 21,-0.2 2,-0.4 -0.906 34.6-169.5-103.3 125.4 -45.1 -11.6 -22.5 69 69 A L E -fg 34 91B 0 21,-3.0 23,-2.2 -2,-0.5 2,-0.4 -0.944 8.2-165.0-120.2 138.7 -43.0 -8.4 -22.2 70 70 A I E -fg 35 92B 0 -36,-2.0 -34,-2.9 -2,-0.4 2,-0.3 -0.979 17.2-135.5-123.2 132.2 -40.5 -7.5 -19.5 71 71 A F E -fg 36 93B 1 21,-1.8 23,-1.6 -2,-0.4 -34,-0.1 -0.699 33.1-112.2 -83.7 139.4 -39.1 -4.0 -19.0 72 72 A S > - 0 0 0 -36,-1.3 3,-1.8 -2,-0.3 -33,-0.2 -0.108 29.0 -98.8 -67.5 169.4 -35.3 -4.0 -18.4 73 73 A A T 3 S+ 0 0 9 -34,-2.1 23,-2.4 1,-0.3 26,-0.2 0.706 118.2 68.1 -60.6 -22.3 -33.7 -3.0 -15.2 74 74 A H T 3 S- 0 0 21 -35,-0.3 -1,-0.3 21,-0.2 55,-0.2 0.631 103.9-127.6 -75.8 -15.0 -33.0 0.5 -16.5 75 75 A G < - 0 0 1 -3,-1.8 2,-0.3 54,-0.1 54,-0.2 -0.025 14.7-109.8 90.6 165.1 -36.7 1.4 -16.6 76 76 A V - 0 0 2 53,-0.2 53,-0.1 -5,-0.1 -5,-0.0 -0.942 25.9-103.2-135.8 157.4 -39.0 2.8 -19.2 77 77 A S > - 0 0 21 -2,-0.3 4,-2.3 1,-0.1 56,-0.2 -0.206 35.1-110.0 -71.6 167.3 -40.8 6.0 -19.9 78 78 A Q H > S+ 0 0 66 54,-2.2 4,-3.0 51,-0.2 5,-0.2 0.848 120.0 58.4 -67.2 -32.5 -44.5 6.5 -19.2 79 79 A A H > S+ 0 0 69 53,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.931 109.1 43.5 -61.8 -45.9 -45.1 6.6 -23.0 80 80 A V H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 114.9 49.5 -65.3 -43.5 -43.5 3.2 -23.4 81 81 A R H X S+ 0 0 48 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.885 113.6 45.7 -63.6 -40.5 -45.4 1.8 -20.3 82 82 A N H X S+ 0 0 79 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.864 108.6 55.7 -71.6 -35.7 -48.7 3.2 -21.6 83 83 A E H X S+ 0 0 76 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.910 110.3 46.3 -62.1 -41.0 -48.0 1.8 -25.2 84 84 A A H < S+ 0 0 1 -4,-2.0 5,-0.4 1,-0.2 3,-0.3 0.872 111.7 51.9 -67.8 -37.7 -47.6 -1.6 -23.6 85 85 A K H < S+ 0 0 141 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.882 107.3 51.3 -66.2 -39.7 -50.7 -1.2 -21.6 86 86 A S H < S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.700 104.8 76.1 -70.6 -18.8 -52.8 -0.2 -24.6 87 87 A R S < S- 0 0 60 -4,-0.8 2,-1.8 -3,-0.3 -22,-0.0 -0.464 98.9-103.7 -89.9 164.0 -51.5 -3.3 -26.3 88 88 A D S S+ 0 0 107 -2,-0.1 -22,-4.3 2,-0.0 -21,-0.4 -0.604 76.1 129.3 -86.5 77.1 -52.6 -6.9 -25.7 89 89 A L - 0 0 22 -2,-1.8 2,-0.6 -5,-0.4 -21,-0.2 -0.991 59.7-132.5-139.1 143.8 -49.5 -7.8 -23.6 90 90 A T E -g 68 0B 68 -23,-2.2 -21,-3.0 -2,-0.3 2,-0.4 -0.831 36.2-158.6 -91.4 121.2 -48.7 -9.4 -20.2 91 91 A V E -g 69 0B 50 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.873 21.1-177.9-113.6 137.6 -46.1 -7.1 -18.6 92 92 A F E -g 70 0B 17 -23,-2.2 -21,-1.8 -2,-0.4 2,-0.7 -0.996 22.0-141.2-126.0 130.7 -43.6 -7.8 -15.8 93 93 A D E +g 71 0B 46 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.838 24.0 173.4-100.6 111.9 -41.4 -4.9 -14.7 94 94 A A + 0 0 0 -23,-1.6 -76,-0.1 -2,-0.7 -1,-0.1 0.298 32.4 139.6 -96.2 10.9 -37.8 -5.6 -13.9 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.281 65.0-104.1 -53.4 133.6 -36.9 -2.0 -13.4 96 96 A C >> - 0 0 17 -23,-2.4 4,-2.5 1,-0.1 3,-1.9 -0.387 21.4-126.2 -63.4 137.5 -34.6 -1.7 -10.4 97 97 A P H 3> S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.827 111.4 56.4 -52.1 -33.5 -36.4 -0.5 -7.3 98 98 A L H 3> S+ 0 0 45 2,-0.2 4,-0.7 1,-0.2 -2,-0.1 0.682 108.2 46.1 -74.5 -18.6 -33.7 2.2 -7.0 99 99 A V H <> S+ 0 0 6 -3,-1.9 4,-2.1 2,-0.2 3,-0.4 0.850 110.1 53.8 -85.9 -41.2 -34.4 3.5 -10.5 100 100 A T H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.884 100.9 62.1 -57.7 -39.1 -38.2 3.4 -9.7 101 101 A K H X S+ 0 0 99 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.906 106.2 43.7 -53.4 -46.3 -37.5 5.6 -6.7 102 102 A V H X S+ 0 0 1 -4,-0.7 4,-2.0 -3,-0.4 3,-0.3 0.908 108.4 59.7 -66.8 -41.1 -36.2 8.4 -8.9 103 103 A H H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.904 102.9 52.2 -51.4 -47.1 -39.1 7.9 -11.3 104 104 A M H X S+ 0 0 95 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.855 106.7 51.9 -61.3 -37.9 -41.5 8.6 -8.5 105 105 A E H X S+ 0 0 54 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.893 111.2 47.8 -66.8 -38.9 -39.8 11.9 -7.6 106 106 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.926 110.7 51.0 -67.0 -43.4 -40.0 13.0 -11.2 107 107 A A H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.890 109.3 52.4 -59.9 -40.1 -43.6 12.0 -11.5 108 108 A R H X S+ 0 0 94 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.919 109.4 47.7 -62.6 -45.3 -44.3 14.0 -8.3 109 109 A A H X>S+ 0 0 5 -4,-2.1 5,-2.0 1,-0.2 4,-0.5 0.902 110.6 52.8 -63.0 -40.7 -42.6 17.1 -9.7 110 110 A S H ><5S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.916 106.4 52.1 -61.4 -44.7 -44.6 16.8 -13.0 111 111 A R H 3<5S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.871 110.6 48.7 -60.1 -36.7 -47.9 16.6 -11.1 112 112 A R H 3<5S- 0 0 133 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.528 109.6-125.4 -81.1 -5.8 -47.0 19.8 -9.3 113 113 A G T <<5 + 0 0 23 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.709 64.0 140.8 68.8 18.3 -46.0 21.5 -12.5 114 114 A E < - 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0 0 13 1,-0.1 -29,-0.2 -28,-0.1 -28,-0.2 -0.511 59.1-119.1 -66.9 128.3 -26.5 7.3 -7.2 197 197 A C > - 0 0 21 -30,-1.6 4,-2.4 -2,-0.3 5,-0.2 -0.174 15.3-108.2 -72.1 164.2 -27.2 3.9 -5.8 198 198 A Y H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 117.8 54.4 -55.9 -42.1 -25.3 2.0 -3.1 199 199 A A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 110.1 45.5 -62.1 -42.9 -23.8 -0.5 -5.6 200 200 A T H > S+ 0 0 5 -33,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 115.3 46.6 -66.9 -47.6 -22.4 2.3 -7.7 201 201 A T H X S+ 0 0 49 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.930 114.8 47.9 -60.0 -45.8 -21.0 4.2 -4.7 202 202 A N H X S+ 0 0 23 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.884 111.1 48.5 -64.8 -41.5 -19.5 1.0 -3.2 203 203 A R H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.856 111.7 50.1 -70.1 -32.1 -17.9 -0.2 -6.4 204 204 A Q H X S+ 0 0 3 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.893 111.5 48.1 -71.5 -37.3 -16.3 3.2 -7.1 205 205 A E H X S+ 0 0 81 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.913 113.9 49.5 -65.4 -41.3 -15.0 3.3 -3.5 206 206 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.858 109.4 48.3 -66.9 -39.5 -13.7 -0.3 -4.0 207 207 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.791 107.1 57.5 -74.5 -25.6 -11.9 0.4 -7.3 208 208 A R H X S+ 0 0 78 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.931 109.5 45.0 -67.0 -43.2 -10.3 3.4 -5.9 209 209 A A H < S+ 0 0 43 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.893 113.5 50.4 -65.5 -40.6 -8.8 1.2 -3.1 210 210 A L H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.6 0.917 107.0 55.0 -63.1 -44.6 -7.8 -1.4 -5.7 211 211 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.746 96.7 62.5 -63.4 -28.1 -6.1 1.2 -7.9 212 212 A E T 3< S+ 0 0 140 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.416 117.2 31.9 -80.7 6.5 -3.8 2.5 -5.2 213 213 A Q T <4 S+ 0 0 108 -3,-1.6 2,-0.2 1,-0.1 -2,-0.2 0.603 109.8 68.7-126.0 -37.6 -2.3 -1.0 -5.1 214 214 A A < - 0 0 1 -4,-2.5 48,-0.2 1,-0.1 3,-0.1 -0.600 58.3-155.4 -90.4 149.7 -2.5 -2.3 -8.7 215 215 A E S S+ 0 0 82 46,-2.8 26,-1.0 1,-0.3 2,-0.4 0.743 88.5 29.2 -89.0 -30.3 -0.6 -0.9 -11.6 216 216 A V E S-cd 241 262A 5 45,-1.1 47,-3.3 24,-0.2 2,-0.4 -0.986 72.3-157.7-132.4 141.3 -3.2 -2.1 -14.1 217 217 A V E -cd 242 263A 0 24,-2.4 26,-2.3 -2,-0.4 2,-0.5 -0.978 1.0-160.4-124.6 131.0 -6.9 -2.6 -13.5 218 218 A L E -cd 243 264A 0 45,-2.8 47,-2.5 -2,-0.4 2,-0.6 -0.944 6.7-161.4-110.2 125.4 -9.2 -4.8 -15.5 219 219 A V E -cd 244 265A 0 24,-3.3 26,-2.7 -2,-0.5 2,-0.6 -0.929 10.9-145.2-108.9 115.0 -13.0 -4.0 -15.3 220 220 A V E +cd 245 266A 0 45,-2.6 47,-2.9 -2,-0.6 2,-0.3 -0.689 55.2 99.8 -79.8 118.1 -15.2 -6.9 -16.3 221 221 A G - 0 0 0 24,-2.7 -179,-0.1 -2,-0.6 2,-0.1 -0.872 69.6 -87.7 172.2 157.1 -18.2 -5.3 -18.0 222 222 A S > - 0 0 4 -181,-0.8 3,-1.9 -2,-0.3 7,-0.2 -0.408 37.7-111.7 -82.2 157.4 -19.7 -4.5 -21.4 223 223 A K T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.1 -181,-0.1 0.739 115.8 51.5 -58.2 -27.1 -19.1 -1.4 -23.4 224 224 A N T 3 S+ 0 0 68 -183,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.305 81.1 110.1 -97.0 10.7 -22.6 -0.1 -22.9 225 225 A S <> - 0 0 2 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 -0.768 51.9-163.3 -88.8 112.0 -22.6 -0.5 -19.1 226 226 A S H > S+ 0 0 8 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.958 89.1 45.6 -58.4 -54.9 -22.6 3.0 -17.6 227 227 A N H > S+ 0 0 16 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.871 112.4 52.4 -60.0 -36.5 -21.5 1.9 -14.1 228 228 A S H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.930 108.0 50.9 -65.1 -44.0 -18.8 -0.4 -15.6 229 229 A N H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.869 106.2 55.6 -60.4 -38.0 -17.4 2.5 -17.6 230 230 A R H X S+ 0 0 37 -4,-2.0 4,-2.2 -62,-0.2 -1,-0.2 0.842 104.4 54.0 -66.3 -30.0 -17.2 4.7 -14.6 231 231 A L H X S+ 0 0 2 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.2 0.934 111.4 43.7 -67.8 -46.5 -15.1 2.1 -12.8 232 232 A A H X S+ 0 0 6 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.908 113.7 52.3 -63.3 -43.4 -12.5 2.0 -15.6 233 233 A E H X S+ 0 0 45 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 105.7 53.7 -60.2 -44.2 -12.5 5.8 -15.8 234 234 A L H X S+ 0 0 15 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.908 111.3 45.4 -59.9 -42.9 -11.9 6.2 -12.1 235 235 A A H ><>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 3,-0.6 0.894 111.3 52.8 -67.9 -39.8 -8.8 3.9 -12.3 236 236 A Q H ><5S+ 0 0 103 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.858 104.4 56.0 -64.2 -35.9 -7.6 5.7 -15.4 237 237 A R H 3<5S+ 0 0 136 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.736 101.0 59.2 -68.7 -21.7 -7.9 9.1 -13.7 238 238 A M T <<5S- 0 0 65 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.318 126.3-101.7 -88.6 7.9 -5.6 7.7 -10.9 239 239 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.640 81.3 128.5 83.6 16.5 -2.9 7.1 -13.6 240 240 A K < - 0 0 58 -5,-1.9 2,-0.3 -24,-0.0 -1,-0.3 -0.871 66.4-114.4-108.1 137.0 -3.4 3.4 -13.9 241 241 A R E -c 216 0A 110 -26,-1.0 -24,-2.4 -2,-0.4 2,-0.4 -0.543 44.5-176.2 -65.4 124.0 -3.9 1.6 -17.3 242 242 A A E -c 217 0A 8 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.988 10.8-165.3-129.1 137.9 -7.5 0.3 -17.0 243 243 A F E -c 218 0A 41 -26,-2.3 -24,-3.3 -2,-0.4 2,-0.6 -0.978 15.4-143.8-128.2 136.5 -9.4 -1.8 -19.5 244 244 A L E +c 219 0A 22 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.860 33.4 175.9 -95.1 119.5 -13.1 -2.6 -19.8 245 245 A I E -c 220 0A 0 -26,-2.7 -24,-2.7 -2,-0.6 3,-0.1 -0.958 36.2-152.9-131.2 148.4 -13.4 -6.2 -21.0 246 246 A D S S- 0 0 16 -2,-0.3 2,-0.3 1,-0.2 -202,-0.1 0.808 80.2 -12.6 -84.3 -33.9 -16.3 -8.6 -21.6 247 247 A D S > S- 0 0 35 -26,-0.1 3,-2.1 30,-0.1 4,-0.3 -0.965 78.3 -83.3-159.0 173.3 -14.3 -11.8 -21.0 248 248 A A G > S+ 0 0 17 -2,-0.3 3,-1.3 1,-0.3 26,-0.0 0.737 116.1 71.1 -55.1 -26.0 -10.8 -13.3 -20.5 249 249 A K G 3 S+ 0 0 183 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.741 89.9 60.9 -64.9 -23.7 -10.4 -13.5 -24.3 250 250 A D G < S+ 0 0 55 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.619 78.1 109.5 -79.9 -13.1 -10.1 -9.7 -24.4 251 251 A I < - 0 0 10 -3,-1.3 2,-0.4 -4,-0.3 3,-0.0 -0.490 57.1-153.9 -69.5 125.1 -7.0 -9.7 -22.3 252 252 A Q >> - 0 0 111 -2,-0.3 3,-1.5 1,-0.1 4,-0.6 -0.844 17.0-131.2-101.6 135.7 -3.9 -8.8 -24.2 253 253 A E G >4 S+ 0 0 144 -2,-0.4 3,-1.3 1,-0.3 4,-0.4 0.869 104.4 61.8 -50.1 -44.8 -0.5 -10.0 -23.0 254 254 A E G >4 S+ 0 0 92 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.784 91.8 67.9 -56.3 -28.8 1.1 -6.6 -23.3 255 255 A W G <4 S+ 0 0 25 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.862 113.7 27.7 -60.6 -37.5 -1.3 -5.2 -20.7 256 256 A V G X< S+ 0 0 11 -3,-1.3 3,-2.1 -4,-0.6 -1,-0.3 0.193 87.1 144.1-109.6 15.2 0.2 -7.3 -17.9 257 257 A K T < S- 0 0 132 -3,-0.9 3,-0.1 -4,-0.4 -3,-0.1 -0.378 86.2 -15.0 -58.1 116.3 3.7 -7.4 -19.5 258 258 A E T 3 S+ 0 0 170 -2,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.773 98.0 152.7 56.4 28.7 6.1 -7.3 -16.6 259 259 A V < - 0 0 17 -3,-2.1 -1,-0.2 1,-0.1 3,-0.2 -0.771 33.4-164.4 -90.7 131.2 3.4 -6.1 -14.3 260 260 A K S S+ 0 0 171 -2,-0.4 -258,-2.7 1,-0.3 2,-0.3 0.688 76.9 25.2 -88.4 -19.7 3.9 -6.9 -10.6 261 261 A C E -a 2 0A 12 -260,-0.2 -46,-2.8 26,-0.0 -45,-1.1 -0.891 63.1-178.7-150.9 116.2 0.3 -6.3 -9.5 262 262 A V E -ad 3 216A 0 -260,-2.7 -258,-2.4 -2,-0.3 2,-0.4 -0.922 14.6-150.1-114.2 138.5 -2.9 -6.4 -11.5 263 263 A G E -ad 4 217A 0 -47,-3.3 -45,-2.8 -2,-0.4 2,-0.4 -0.852 7.6-162.1-110.1 146.2 -6.3 -5.6 -10.1 264 264 A V E +ad 5 218A 0 -260,-2.6 -258,-2.5 -2,-0.4 2,-0.3 -0.988 17.0 156.1-129.9 135.1 -9.6 -7.0 -11.2 265 265 A T E - 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