==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-NOV-11 3UTC . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.SPAN,K.WANG,W.WANG,Y.ZHANG,A.BACHER,W.EISENREICH,K.LI,C.SC . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 15.3 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 . 32 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 32.1 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 2 0 2 2 1 3 0 0 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 59 0, 0.0 287,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.3 2.5 -11.4 -11.4 2 2 A Q E -a 261 0A 89 258,-3.0 260,-3.0 285,-0.2 2,-0.5 -0.757 360.0-154.5 -88.5 129.5 0.1 -10.6 -8.5 3 3 A I E -ab 262 290A 0 286,-0.5 288,-2.8 -2,-0.5 2,-0.3 -0.933 11.6-168.8-102.2 120.6 -3.7 -10.7 -9.4 4 4 A L E -ab 263 291A 3 258,-2.7 260,-2.2 -2,-0.5 2,-0.5 -0.836 8.8-148.9-110.4 147.0 -5.9 -8.6 -7.2 5 5 A L E -ab 264 292A 16 286,-2.3 288,-3.0 -2,-0.3 260,-0.2 -0.973 17.0-127.4-117.7 127.5 -9.7 -8.7 -7.2 6 6 A A - 0 0 0 258,-2.8 201,-0.1 -2,-0.5 289,-0.1 -0.271 27.2-119.7 -70.2 151.9 -11.8 -5.6 -6.3 7 7 A N S S+ 0 0 54 287,-0.2 289,-0.4 1,-0.2 2,-0.2 -0.916 90.7 25.3-148.4 122.9 -14.4 -5.8 -3.7 8 8 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.508 88.4 145.2 -72.7 163.1 -17.4 -5.3 -4.1 9 9 A R + 0 0 58 -2,-0.2 258,-0.2 2,-0.1 263,-0.1 -0.941 37.9 20.1-152.7 164.6 -17.6 -6.2 -7.8 10 10 A G S S+ 0 0 8 256,-2.4 256,-0.1 -2,-0.3 193,-0.1 -0.205 94.6 32.3 73.5-159.6 -20.1 -7.8 -10.1 11 11 A F - 0 0 61 259,-0.6 258,-0.2 1,-0.1 2,-0.2 0.032 59.3-159.7 -45.8 131.0 -23.9 -8.2 -9.7 12 12 A C > - 0 0 21 256,-1.2 4,-2.3 1,-0.0 5,-0.2 -0.445 36.9 -97.4 -95.6 178.1 -25.8 -5.7 -7.7 13 13 A A H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 289,-0.4 0.862 121.6 53.0 -72.0 -31.9 -29.2 -6.4 -6.2 14 14 A G H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 110.9 46.6 -68.5 -41.2 -31.2 -4.9 -9.1 15 15 A V H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.934 110.5 51.7 -66.0 -46.2 -29.4 -7.0 -11.7 16 16 A D H X S+ 0 0 82 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.896 113.6 45.2 -57.8 -43.3 -29.8 -10.2 -9.7 17 17 A R H X S+ 0 0 15 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.923 111.8 51.5 -65.9 -41.5 -33.6 -9.5 -9.4 18 18 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.903 111.9 46.9 -66.3 -39.5 -34.0 -8.5 -13.1 19 19 A I H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.953 112.7 49.8 -68.3 -44.7 -32.3 -11.8 -14.2 20 20 A S H X S+ 0 0 31 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.835 104.7 58.5 -56.5 -40.0 -34.4 -13.8 -11.9 21 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.939 110.7 41.6 -57.3 -50.4 -37.5 -12.2 -13.1 22 22 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.940 115.2 49.9 -62.4 -50.7 -36.9 -13.3 -16.7 23 23 A E H X S+ 0 0 64 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.920 114.1 45.0 -54.6 -46.6 -35.7 -16.8 -15.7 24 24 A N H X S+ 0 0 38 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.828 111.0 52.5 -71.1 -36.7 -38.8 -17.4 -13.5 25 25 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.3 5,-0.4 0.944 110.7 48.3 -59.3 -48.8 -41.1 -16.1 -16.1 26 26 A L H X S+ 0 0 17 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.863 115.3 46.3 -57.3 -38.1 -39.6 -18.5 -18.6 27 27 A A H < S+ 0 0 81 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.795 116.9 42.5 -75.2 -32.1 -40.0 -21.3 -16.0 28 28 A I H < S+ 0 0 76 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.932 133.8 16.6 -78.4 -44.8 -43.5 -20.4 -15.1 29 29 A Y H < S- 0 0 118 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.492 98.2-128.4-110.7 -10.0 -44.8 -19.8 -18.7 30 30 A G < - 0 0 33 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.1 0.005 50.1 -10.2 81.1 165.0 -42.3 -21.3 -21.2 31 31 A A S S+ 0 0 70 23,-0.1 23,-0.1 -4,-0.1 22,-0.1 -0.398 100.6 51.6 -65.1 150.7 -40.6 -19.8 -24.2 32 32 A P + 0 0 67 0, 0.0 2,-0.5 0, 0.0 36,-0.4 0.681 55.7 164.0 -86.4 153.0 -41.0 -17.2 -25.7 33 33 A I E -e 54 0B 0 20,-1.1 22,-3.2 34,-0.1 2,-0.4 -0.999 30.9-137.6-120.3 128.5 -40.9 -14.4 -23.2 34 34 A Y E -ef 55 69B 37 34,-2.4 36,-2.3 -2,-0.5 2,-0.4 -0.732 16.8-167.0 -90.8 143.2 -40.3 -11.0 -24.7 35 35 A V E -ef 56 70B 0 20,-2.9 22,-2.7 -2,-0.4 2,-0.8 -0.984 19.0-134.8-129.3 125.4 -38.0 -8.5 -23.2 36 36 A R E S-ef 57 71B 33 34,-2.4 36,-0.9 -2,-0.4 22,-0.2 -0.668 78.5 -16.8 -81.4 110.2 -37.8 -4.8 -24.2 37 37 A H S S- 0 0 43 20,-3.5 20,-0.2 -2,-0.8 21,-0.1 0.236 113.0 -44.7 71.9 154.4 -34.1 -3.9 -24.6 38 38 A E - 0 0 51 1,-0.2 3,-0.1 18,-0.1 35,-0.1 -0.307 57.7-130.0 -45.8 128.9 -31.3 -6.1 -23.1 39 39 A V S S- 0 0 0 1,-0.2 34,-2.5 33,-0.2 35,-0.3 0.888 92.4 -1.8 -58.1 -40.0 -32.6 -6.9 -19.6 40 40 A V S S- 0 0 2 2,-0.2 2,-1.9 32,-0.2 -1,-0.2 -0.921 91.1 -98.8-137.8 158.9 -29.2 -5.7 -18.3 41 41 A H S S+ 0 0 18 -2,-0.3 181,-0.7 -3,-0.1 2,-0.4 -0.460 82.2 112.6 -83.3 67.3 -26.2 -4.5 -20.5 42 42 A N > - 0 0 0 -2,-1.9 4,-3.0 1,-0.1 5,-0.2 -0.946 54.4-155.0-142.2 117.8 -24.2 -7.7 -20.6 43 43 A R H > S+ 0 0 102 -2,-0.4 4,-3.5 1,-0.2 5,-0.3 0.865 96.9 49.4 -59.6 -40.6 -23.7 -9.8 -23.7 44 44 A Y H > S+ 0 0 108 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.922 113.1 45.3 -65.9 -45.2 -23.2 -13.0 -21.8 45 45 A V H > S+ 0 0 7 224,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.952 119.3 43.8 -60.3 -49.4 -26.3 -12.6 -19.6 46 46 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.963 114.4 46.8 -61.7 -54.6 -28.3 -11.6 -22.7 47 47 A D H X S+ 0 0 73 -4,-3.5 4,-1.7 -5,-0.2 5,-0.2 0.917 111.9 56.0 -55.6 -40.1 -26.9 -14.3 -25.0 48 48 A S H >X S+ 0 0 44 -4,-2.6 3,-1.5 -5,-0.3 4,-0.9 0.971 112.6 36.9 -50.9 -78.7 -27.6 -16.7 -22.1 49 49 A L H 3<>S+ 0 0 2 -4,-2.1 5,-2.3 1,-0.3 -1,-0.2 0.715 116.3 55.7 -39.4 -38.4 -31.3 -15.9 -21.7 50 50 A R H ><5S+ 0 0 116 -4,-2.6 3,-0.9 1,-0.2 -1,-0.3 0.753 104.4 51.1 -72.6 -31.8 -31.8 -15.6 -25.6 51 51 A E H <<5S+ 0 0 166 -4,-1.7 -1,-0.2 -3,-1.5 -2,-0.2 0.651 108.5 54.6 -85.7 -11.7 -30.4 -18.9 -26.3 52 52 A R T 3<5S- 0 0 132 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.140 130.8 -95.0-103.0 15.7 -33.0 -20.1 -23.7 53 53 A G T < 5S+ 0 0 20 -3,-0.9 -20,-1.1 1,-0.3 2,-0.3 0.703 78.5 136.2 81.1 20.4 -35.8 -18.4 -25.6 54 54 A A E < -e 33 0B 1 -5,-2.3 2,-0.5 -22,-0.2 -1,-0.3 -0.732 47.0-145.0 -71.0 145.9 -36.2 -15.0 -24.1 55 55 A I E -e 34 0B 66 -22,-3.2 -20,-2.9 -2,-0.3 2,-0.4 -0.967 6.3-149.8-118.9 119.2 -36.6 -12.7 -27.1 56 56 A F E +e 35 0B 30 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.737 22.0 171.1 -89.6 131.5 -35.1 -9.2 -26.8 57 57 A I E -e 36 0B 9 -22,-2.7 -20,-3.5 -2,-0.4 3,-0.1 -0.858 33.6-143.2-130.8 163.6 -36.8 -6.4 -28.9 58 58 A E S S+ 0 0 122 -2,-0.3 2,-0.4 1,-0.2 -22,-0.1 0.708 83.4 37.9-101.1 -17.9 -36.4 -2.6 -29.0 59 59 A Q S > S- 0 0 108 1,-0.1 3,-2.1 -22,-0.0 -1,-0.2 -0.993 70.3-130.3-140.0 139.6 -40.1 -1.6 -29.6 60 60 A I G > S+ 0 0 2 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.753 105.6 71.5 -54.7 -33.3 -43.5 -2.9 -28.3 61 61 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.772 92.1 58.4 -54.3 -28.5 -44.7 -3.0 -32.0 62 62 A E G < S+ 0 0 78 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.539 90.0 89.4 -78.7 -8.5 -42.3 -6.0 -32.4 63 63 A V S < S- 0 0 4 -3,-1.9 3,-0.1 -4,-0.2 2,-0.1 -0.785 78.9-123.5 -96.0 132.9 -44.2 -8.0 -29.7 64 64 A P > - 0 0 57 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 -0.348 31.7 -92.0 -69.1 150.4 -47.2 -10.1 -30.7 65 65 A D T 3 S+ 0 0 118 1,-0.2 24,-0.1 24,-0.1 22,-0.0 -0.272 112.8 24.6 -49.9 143.2 -50.8 -9.8 -29.2 66 66 A G T 3 S+ 0 0 51 22,-0.5 -1,-0.2 1,-0.2 23,-0.1 0.368 96.1 129.7 78.6 -7.3 -51.2 -12.2 -26.1 67 67 A A < - 0 0 15 -3,-1.4 23,-2.3 1,-0.1 2,-0.4 -0.218 61.5-115.3 -80.6 169.6 -47.5 -12.3 -25.3 68 68 A I E - g 0 90B 22 -36,-0.4 -34,-2.4 21,-0.2 2,-0.4 -0.898 32.4-168.0-103.7 133.8 -45.6 -11.7 -22.0 69 69 A L E -fg 34 91B 0 21,-3.1 23,-2.0 -2,-0.4 2,-0.4 -0.986 7.3-160.7-126.1 132.6 -43.4 -8.7 -22.0 70 70 A I E -fg 35 92B 0 -36,-2.3 -34,-2.4 -2,-0.4 2,-0.3 -0.952 15.0-137.3-111.6 135.3 -40.7 -7.8 -19.4 71 71 A F E -fg 36 93B 2 21,-1.7 23,-1.7 -2,-0.4 -34,-0.1 -0.730 33.7-107.5 -84.6 143.7 -39.4 -4.2 -19.0 72 72 A S > - 0 0 1 -36,-0.9 3,-1.6 -2,-0.3 -33,-0.2 -0.049 28.7-100.3 -69.6 169.8 -35.6 -4.1 -18.5 73 73 A A T 3 S+ 0 0 10 -34,-2.5 23,-2.4 1,-0.2 26,-0.2 0.757 118.0 69.1 -60.1 -22.7 -33.8 -3.2 -15.2 74 74 A H T 3 S- 0 0 23 -35,-0.3 -1,-0.2 21,-0.2 55,-0.1 0.663 103.1-130.8 -72.5 -18.9 -33.2 0.4 -16.6 75 75 A G < - 0 0 2 -3,-1.6 2,-0.3 54,-0.1 54,-0.2 -0.098 16.5-112.1 93.6 171.5 -36.9 1.2 -16.4 76 76 A V - 0 0 2 53,-0.2 53,-0.1 52,-0.1 50,-0.0 -0.945 24.9 -94.6-143.1 160.9 -39.3 2.7 -19.1 77 77 A S > - 0 0 23 -2,-0.3 4,-2.4 1,-0.1 56,-0.2 -0.223 36.3-110.0 -70.8 163.8 -41.2 5.9 -19.8 78 78 A Q H > S+ 0 0 72 54,-2.1 4,-3.1 51,-0.2 5,-0.2 0.890 120.5 57.5 -52.7 -41.1 -44.9 6.4 -18.9 79 79 A A H > S+ 0 0 66 53,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.902 107.0 45.3 -63.6 -45.4 -45.5 6.3 -22.7 80 80 A V H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.943 113.3 50.7 -61.7 -44.4 -44.0 2.8 -23.1 81 81 A R H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.934 113.6 46.1 -61.8 -41.4 -45.9 1.6 -20.0 82 82 A N H X S+ 0 0 85 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.901 107.8 55.4 -64.6 -41.8 -49.1 3.0 -21.6 83 83 A E H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 111.7 45.0 -60.4 -33.9 -48.4 1.5 -25.0 84 84 A A H ><>S+ 0 0 1 -4,-2.1 3,-0.9 2,-0.2 5,-0.8 0.893 112.9 50.4 -76.2 -39.0 -48.1 -1.9 -23.4 85 85 A K H 3<5S+ 0 0 174 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.902 107.7 53.3 -64.0 -40.3 -51.3 -1.3 -21.3 86 86 A S T 3<5S+ 0 0 100 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.543 107.8 68.5 -75.4 -3.5 -53.2 -0.3 -24.4 87 87 A R T < 5S- 0 0 68 -3,-0.9 -3,-0.1 -5,-0.2 -22,-0.0 -0.505 100.0 -99.3-106.2-176.7 -52.1 -3.6 -26.0 88 88 A D T 5S+ 0 0 97 -2,-0.2 -22,-0.5 2,-0.1 2,-0.3 0.048 77.2 129.9 -89.4 24.7 -53.0 -7.2 -25.3 89 89 A L < - 0 0 20 -5,-0.8 2,-0.5 -23,-0.1 -21,-0.2 -0.599 55.8-141.3 -97.8 140.1 -49.8 -7.8 -23.3 90 90 A T E -g 68 0B 70 -23,-2.3 -21,-3.1 -2,-0.3 2,-0.4 -0.854 34.2-161.9 -86.3 125.4 -49.0 -9.4 -19.8 91 91 A V E -g 69 0B 48 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.906 21.3-174.6-118.3 136.6 -46.3 -7.2 -18.4 92 92 A F E -g 70 0B 25 -23,-2.0 -21,-1.7 -2,-0.4 2,-0.6 -0.975 23.4-138.6-119.5 142.7 -43.8 -7.8 -15.6 93 93 A D E +g 71 0B 40 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.896 23.4 177.4-108.9 115.5 -41.6 -5.0 -14.6 94 94 A A + 0 0 0 -23,-1.7 -1,-0.1 -2,-0.6 -76,-0.1 0.281 34.3 137.7 -92.8 8.2 -37.9 -5.7 -13.9 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.261 65.5-104.9 -52.6 138.1 -37.0 -2.0 -13.4 96 96 A C >> - 0 0 17 -23,-2.4 4,-2.6 1,-0.1 3,-1.3 -0.447 20.4-124.8 -67.6 141.2 -34.7 -1.9 -10.3 97 97 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.807 112.8 58.8 -48.3 -35.2 -36.5 -0.5 -7.1 98 98 A L H 3> S+ 0 0 47 2,-0.2 4,-0.8 1,-0.2 -2,-0.0 0.771 108.1 44.1 -71.5 -28.1 -33.7 2.2 -7.0 99 99 A V H <> S+ 0 0 6 -3,-1.3 4,-2.6 2,-0.2 3,-0.5 0.882 109.4 55.8 -78.2 -46.3 -34.6 3.4 -10.4 100 100 A T H X S+ 0 0 42 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.898 102.1 58.9 -49.8 -40.5 -38.3 3.3 -9.6 101 101 A K H X S+ 0 0 108 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.894 107.4 45.0 -57.7 -40.8 -37.5 5.6 -6.6 102 102 A V H X S+ 0 0 2 -4,-0.8 4,-2.1 -3,-0.5 -1,-0.2 0.906 110.0 56.4 -69.8 -40.1 -36.1 8.3 -8.9 103 103 A H H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.931 104.6 52.5 -53.6 -47.9 -39.2 7.8 -11.3 104 104 A M H X S+ 0 0 102 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.891 107.4 52.4 -60.2 -36.7 -41.5 8.5 -8.4 105 105 A E H X S+ 0 0 46 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.921 110.1 46.4 -69.4 -40.6 -39.7 11.8 -7.7 106 106 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.955 111.4 51.6 -61.3 -49.9 -40.0 13.0 -11.2 107 107 A A H X S+ 0 0 25 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.919 109.7 51.3 -52.4 -45.2 -43.7 12.1 -11.4 108 108 A R H X S+ 0 0 66 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.950 110.9 47.1 -56.3 -49.0 -44.2 14.1 -8.2 109 109 A A H <>S+ 0 0 7 -4,-2.3 5,-1.9 1,-0.2 4,-0.3 0.919 111.2 53.4 -62.3 -41.5 -42.5 17.1 -9.6 110 110 A S H ><5S+ 0 0 6 -4,-3.0 3,-2.6 1,-0.2 -2,-0.2 0.965 106.3 50.2 -55.3 -60.4 -44.5 16.7 -12.8 111 111 A R H 3<5S+ 0 0 167 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.876 111.1 50.5 -46.0 -42.6 -47.9 16.7 -10.9 112 112 A R T 3<5S- 0 0 156 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.479 110.1-124.3 -76.5 -1.8 -46.9 19.9 -9.0 113 113 A G T < 5 + 0 0 22 -3,-2.6 2,-0.3 -4,-0.3 -3,-0.2 0.601 62.5 145.2 64.3 14.5 -45.9 21.6 -12.4 114 114 A E < - 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0 0 2 -47,-2.4 3,-0.6 -2,-0.3 29,-0.2 -0.397 37.7-126.5 -58.5 150.9 -29.1 8.7 -13.2 167 167 A T T 3 S+ 0 0 8 1,-0.2 30,-1.9 29,-0.2 33,-0.3 0.660 98.8 51.9 -83.5 -12.1 -28.1 5.8 -10.7 168 168 A T T 3 S+ 0 0 21 28,-0.2 -1,-0.2 32,-0.1 62,-0.2 0.169 78.9 124.8-117.7 18.5 -24.9 4.7 -12.4 169 169 A L S < S- 0 0 5 -3,-0.6 2,-0.3 1,-0.1 3,-0.0 -0.234 72.9 -83.8 -77.2 162.7 -22.9 8.0 -12.8 170 170 A S > - 0 0 11 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.527 33.6-144.7 -55.3 121.9 -19.3 8.9 -11.7 171 171 A V H > S+ 0 0 20 -2,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.941 98.6 47.9 -56.6 -45.1 -19.7 10.0 -8.1 172 172 A D H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.937 113.0 44.6 -69.7 -51.8 -16.9 12.6 -8.7 173 173 A D H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 111.6 52.9 -57.9 -39.7 -18.2 14.0 -11.9 174 174 A T H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.899 103.9 57.7 -66.9 -37.7 -21.8 14.2 -10.6 175 175 A S H X S+ 0 0 52 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 105.4 50.3 -56.5 -42.5 -20.5 16.1 -7.6 176 176 A D H X S+ 0 0 90 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.887 111.3 49.3 -61.2 -40.5 -19.0 18.8 -9.9 177 177 A V H X S+ 0 0 3 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.924 110.6 48.9 -70.4 -43.8 -22.4 19.1 -11.8 178 178 A I H X S+ 0 0 15 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.914 108.5 53.7 -59.1 -42.1 -24.4 19.5 -8.5 179 179 A D H X S+ 0 0 93 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.893 111.2 47.9 -60.4 -39.8 -21.9 22.2 -7.3 180 180 A A H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.926 109.9 50.6 -64.0 -50.1 -22.6 24.0 -10.6 181 181 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 7,-0.2 0.882 110.2 50.9 -54.5 -43.1 -26.4 23.6 -10.3 182 182 A R H < S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.3 47.1 -66.4 -36.5 -26.3 25.0 -6.7 183 183 A K H < S+ 0 0 171 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.858 118.9 40.2 -70.1 -39.7 -24.3 28.1 -7.8 184 184 A R H < S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.850 129.2 28.9 -74.3 -36.9 -26.6 28.8 -10.8 185 185 A F >< - 0 0 3 -4,-2.9 3,-2.4 -5,-0.2 -1,-0.2 -0.727 67.8-176.9-130.4 79.6 -29.8 28.0 -9.1 186 186 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.765 83.4 49.4 -53.0 -28.5 -29.5 28.8 -5.3 187 187 A K T 3 S+ 0 0 100 -29,-0.3 -26,-0.4 2,-0.1 -5,-0.1 0.343 77.8 131.7 -96.8 6.0 -33.0 27.5 -4.5 188 188 A I < - 0 0 6 -3,-2.4 2,-0.4 -7,-0.2 -26,-0.2 -0.331 46.8-145.2 -58.4 141.4 -32.8 24.2 -6.3 189 189 A V B +j 162 0C 83 -28,-2.3 -26,-1.8 310,-0.0 -1,-0.1 -0.905 32.1 141.3-111.8 133.5 -34.1 21.2 -4.2 190 190 A G - 0 0 8 -2,-0.4 310,-0.2 -28,-0.2 -26,-0.1 -0.872 52.8 -58.4-150.3-170.9 -32.6 17.7 -4.4 191 191 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.274 63.6 -97.2 -64.0 163.5 -31.5 14.6 -2.4 192 192 A R S S- 0 0 58 2,-0.1 -2,-0.0 307,-0.0 307,-0.0 0.913 110.1 -10.9 -49.5 -43.6 -28.9 15.2 0.3 193 193 A K S S- 0 0 119 1,-0.4 2,-0.3 3,-0.1 -15,-0.0 0.684 114.6 -59.4-123.5 -71.6 -26.2 14.0 -2.2 194 194 A D - 0 0 26 2,-0.2 -1,-0.4 -4,-0.1 -2,-0.1 -0.919 41.8 -99.2-161.9-174.5 -27.4 12.4 -5.4 195 195 A D S S+ 0 0 14 -2,-0.3 2,-0.2 -29,-0.2 -93,-0.1 0.192 70.5 133.8-102.8 15.2 -29.4 9.4 -6.6 196 196 A I - 0 0 13 1,-0.1 -28,-0.2 -28,-0.1 -29,-0.2 -0.494 58.1-122.0 -63.4 130.1 -26.3 7.3 -7.4 197 197 A C > - 0 0 24 -30,-1.9 4,-2.2 -2,-0.2 5,-0.2 -0.179 14.6-107.2 -81.1 171.1 -27.1 3.9 -5.9 198 198 A Y H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 117.9 54.2 -61.5 -39.1 -25.1 2.0 -3.3 199 199 A A H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 109.8 47.4 -69.1 -38.4 -23.8 -0.5 -5.8 200 200 A T H > S+ 0 0 7 -33,-0.3 4,-2.0 2,-0.2 5,-0.2 0.942 114.3 46.1 -67.8 -46.8 -22.4 2.3 -8.1 201 201 A T H X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.935 114.3 49.1 -58.4 -47.2 -20.7 4.1 -5.1 202 202 A N H X S+ 0 0 13 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.884 110.0 48.5 -65.3 -42.6 -19.3 0.9 -3.8 203 203 A R H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.852 113.1 49.3 -68.1 -35.0 -17.8 -0.4 -7.1 204 204 A Q H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 111.8 47.4 -64.5 -46.9 -16.2 3.0 -7.7 205 205 A E H X S+ 0 0 80 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.921 113.6 50.1 -60.5 -41.7 -14.8 3.1 -4.2 206 206 A A H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.896 110.1 48.3 -65.9 -39.0 -13.5 -0.5 -4.7 207 207 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.825 107.0 56.7 -75.5 -29.0 -11.8 0.2 -8.0 208 208 A R H X S+ 0 0 81 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.927 110.0 45.6 -60.2 -46.1 -10.1 3.3 -6.6 209 209 A A H X S+ 0 0 43 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.918 114.3 49.1 -64.5 -40.2 -8.6 1.0 -3.9 210 210 A L H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.9 0.925 108.9 51.0 -61.0 -48.9 -7.6 -1.6 -6.5 211 211 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.773 99.5 65.8 -68.5 -25.0 -6.0 1.0 -8.9 212 212 A E H 3< S+ 0 0 144 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.897 116.4 27.3 -58.4 -37.7 -4.0 2.3 -5.9 213 213 A Q H << S+ 0 0 107 -3,-0.9 2,-0.3 -4,-0.9 -2,-0.2 0.780 112.2 72.4 -96.2 -32.0 -2.2 -1.2 -5.9 214 214 A A < - 0 0 0 -4,-2.5 48,-0.2 -5,-0.1 3,-0.1 -0.666 57.3-156.0 -93.4 144.0 -2.4 -2.4 -9.5 215 215 A E S S+ 0 0 77 46,-2.2 26,-1.3 -2,-0.3 2,-0.4 0.799 88.9 29.9 -81.7 -32.0 -0.6 -1.2 -12.5 216 216 A V E S-cd 241 262A 4 45,-1.2 47,-3.0 24,-0.2 2,-0.4 -0.989 70.6-160.1-131.6 138.0 -3.2 -2.4 -14.9 217 217 A V E -cd 242 263A 0 24,-2.3 26,-2.2 -2,-0.4 2,-0.5 -0.980 0.8-162.3-120.9 129.4 -7.0 -2.8 -14.2 218 218 A L E -cd 243 264A 0 45,-2.7 47,-2.5 -2,-0.4 2,-0.6 -0.942 7.3-159.7-109.2 130.4 -9.3 -5.0 -16.3 219 219 A V E -cd 244 265A 0 24,-3.3 26,-2.5 -2,-0.5 2,-0.6 -0.953 10.9-142.4-113.6 115.0 -13.0 -4.3 -15.9 220 220 A V E +cd 245 266A 0 45,-3.0 47,-2.5 -2,-0.6 2,-0.3 -0.668 55.3 100.8 -77.1 117.8 -15.3 -7.1 -16.9 221 221 A G - 0 0 0 24,-2.7 -179,-0.1 -2,-0.6 2,-0.1 -0.866 69.6 -89.3 176.3 155.2 -18.4 -5.6 -18.6 222 222 A S > - 0 0 4 -181,-0.7 3,-2.0 -2,-0.3 7,-0.2 -0.400 39.8-110.9 -75.8 158.0 -20.0 -4.9 -22.0 223 223 A K T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.797 116.6 51.6 -57.6 -35.3 -19.3 -1.7 -24.0 224 224 A N T 3 S+ 0 0 75 4,-0.0 2,-0.9 -183,-0.0 -1,-0.3 0.182 80.2 109.0 -90.2 14.4 -22.8 -0.4 -23.5 225 225 A S <> - 0 0 1 -3,-2.0 4,-1.9 1,-0.2 5,-0.1 -0.850 51.9-166.3 -90.0 104.8 -22.7 -0.8 -19.7 226 226 A S H > S+ 0 0 11 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.902 86.8 49.3 -53.1 -51.7 -22.6 2.8 -18.4 227 227 A N H > S+ 0 0 18 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.878 109.3 52.4 -64.8 -35.9 -21.6 1.7 -14.9 228 228 A S H >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.907 106.9 53.8 -60.8 -42.5 -18.8 -0.6 -16.1 229 229 A N H 3X S+ 0 0 58 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.857 102.3 57.3 -63.0 -37.1 -17.4 2.3 -18.2 230 230 A R H 3X S+ 0 0 34 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.816 104.4 53.3 -62.4 -31.7 -17.2 4.5 -15.1 231 231 A L H <>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-0.6 0.925 111.9 52.0 -63.1 -45.4 -8.8 3.7 -13.0 236 236 A Q H ><5S+ 0 0 99 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.861 105.3 54.8 -58.2 -40.3 -7.5 5.5 -16.2 237 237 A R H 3<5S+ 0 0 149 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.714 100.4 59.7 -72.6 -19.7 -7.8 8.9 -14.5 238 238 A M T <<5S- 0 0 72 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.448 126.7-105.2 -82.8 2.0 -5.6 7.6 -11.7 239 239 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.527 79.5 130.4 89.1 10.6 -3.0 7.0 -14.5 240 240 A K < - 0 0 56 -5,-1.9 2,-0.4 -24,-0.0 -1,-0.3 -0.653 66.1-112.3 -89.6 149.1 -3.4 3.2 -14.7 241 241 A R E -c 216 0A 108 -26,-1.3 -24,-2.3 -2,-0.3 2,-0.4 -0.696 45.6-178.2 -71.1 131.3 -3.9 1.4 -18.0 242 242 A A E -c 217 0A 6 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.999 12.1-165.3-139.9 140.6 -7.5 0.1 -17.8 243 243 A F E -c 218 0A 40 -26,-2.2 -24,-3.3 -2,-0.4 2,-0.6 -0.988 16.7-142.1-129.3 134.9 -9.4 -2.0 -20.2 244 244 A L E +c 219 0A 23 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.832 33.4 177.2 -89.8 119.2 -13.2 -2.8 -20.5 245 245 A I E -c 220 0A 1 -26,-2.5 -24,-2.7 -2,-0.6 3,-0.1 -0.979 33.9-153.8-131.0 141.3 -13.5 -6.5 -21.6 246 246 A D S S- 0 0 11 -2,-0.4 2,-0.3 1,-0.2 -202,-0.1 0.815 79.6 -19.6 -76.9 -32.4 -16.5 -8.7 -22.2 247 247 A D S > S- 0 0 41 -26,-0.1 3,-2.0 30,-0.1 4,-0.3 -0.958 79.6 -75.1-165.9 179.1 -14.5 -11.8 -21.5 248 248 A A G > S+ 0 0 19 1,-0.3 3,-1.5 -2,-0.3 26,-0.0 0.776 116.1 68.0 -61.8 -27.9 -11.1 -13.6 -21.2 249 249 A K G 3 S+ 0 0 196 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.702 91.1 62.8 -66.3 -18.5 -10.7 -13.7 -25.0 250 250 A D G < S+ 0 0 54 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.593 76.0 110.3 -80.5 -15.1 -10.4 -9.9 -25.2 251 251 A I < - 0 0 12 -3,-1.5 2,-0.5 -4,-0.3 3,-0.0 -0.458 57.8-153.3 -67.7 127.8 -7.2 -9.9 -23.0 252 252 A Q >> - 0 0 114 -2,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.921 14.6-135.3-102.7 127.5 -4.1 -8.9 -25.2 253 253 A E H >> S+ 0 0 114 -2,-0.5 3,-1.3 1,-0.3 4,-1.0 0.830 102.6 64.3 -47.8 -41.4 -0.8 -10.3 -23.8 254 254 A E H 34 S+ 0 0 112 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.831 92.3 65.6 -55.3 -30.4 0.9 -7.0 -24.4 255 255 A W H <4 S+ 0 0 24 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.825 114.6 27.8 -64.5 -31.4 -1.4 -5.4 -21.7 256 256 A V H X< S+ 0 0 6 -3,-1.3 3,-1.6 -4,-0.5 -1,-0.2 0.355 85.4 129.6-116.8 7.3 0.1 -7.5 -19.0 257 257 A K T 3< S- 0 0 130 -4,-1.0 3,-0.1 -3,-0.5 -3,-0.0 -0.436 89.2 -3.4 -63.0 122.8 3.7 -8.2 -20.2 258 258 A E T 3 S+ 0 0 174 1,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.695 96.4 144.6 69.8 16.9 6.2 -7.4 -17.5 259 259 A V < - 0 0 20 -3,-1.6 -1,-0.2 1,-0.1 3,-0.2 -0.778 35.9-165.0 -88.4 129.1 3.4 -6.2 -15.2 260 260 A K S S+ 0 0 169 -2,-0.5 -258,-3.0 1,-0.2 2,-0.4 0.779 76.0 26.9 -85.9 -27.1 3.9 -7.0 -11.5 261 261 A C E -a 2 0A 9 -260,-0.2 -46,-2.2 26,-0.0 -45,-1.2 -0.954 63.3-179.4-140.7 119.1 0.4 -6.3 -10.3 262 262 A V E -ad 3 216A 0 -260,-3.0 -258,-2.7 -2,-0.4 2,-0.3 -0.965 12.8-154.3-119.2 134.6 -2.9 -6.6 -12.3 263 263 A G E -ad 4 217A 0 -47,-3.0 -45,-2.7 -2,-0.4 2,-0.4 -0.802 4.3-160.5-108.3 148.9 -6.3 -5.9 -10.8 264 264 A V E +ad 5 218A 0 -260,-2.2 -258,-2.8 -2,-0.3 2,-0.3 -0.989 17.1 159.4-127.9 135.2 -9.7 -7.3 -11.9 265 265 A T E - 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