==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 17-SEP-12 4H4D . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.SPAN,W.EISENREICH,J.JAUCH,A.BACHER,M.GROLL . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 68.0 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 . 30 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.9 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 0 0 2 2 0 4 0 0 2 2 2 0 4 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,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.8 2.2 -11.1 -11.0 2 2 A Q E -a 261 0A 78 258,-2.8 260,-2.7 285,-0.2 2,-0.5 -0.735 360.0-152.6 -88.4 134.0 -0.2 -10.5 -8.2 3 3 A I E -ab 262 290A 0 286,-0.5 288,-2.7 -2,-0.4 2,-0.4 -0.944 12.3-169.4-104.3 124.3 -4.0 -10.6 -9.1 4 4 A L E -ab 263 291A 1 258,-2.7 260,-2.8 -2,-0.5 2,-0.5 -0.926 8.9-150.4-114.1 141.8 -6.3 -8.5 -6.9 5 5 A L E -ab 264 292A 12 286,-2.5 288,-2.8 -2,-0.4 260,-0.2 -0.927 16.7-129.4-112.1 130.6 -10.1 -8.6 -7.0 6 6 A A - 0 0 0 258,-2.4 201,-0.1 -2,-0.5 289,-0.1 -0.456 26.2-120.9 -74.4 148.6 -12.2 -5.5 -6.1 7 7 A N S S+ 0 0 48 287,-0.2 289,-0.4 1,-0.2 2,-0.2 -0.951 91.3 30.8-143.0 129.3 -15.0 -5.8 -3.6 8 8 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.526 86.3 142.7 -71.2 161.6 -17.8 -5.2 -4.2 9 9 A R + 0 0 48 -2,-0.2 258,-0.2 2,-0.1 263,-0.1 -0.939 38.8 19.3-150.9 166.6 -17.9 -6.1 -7.8 10 10 A G S S+ 0 0 7 256,-2.5 256,-0.1 -2,-0.3 193,-0.1 -0.264 93.4 30.8 71.7-157.0 -20.4 -7.6 -10.1 11 11 A F - 0 0 66 259,-0.6 258,-0.2 258,-0.1 2,-0.2 0.056 58.9-159.6 -53.9 136.4 -24.1 -8.1 -9.8 12 12 A C > - 0 0 21 256,-1.6 4,-2.4 1,-0.1 5,-0.2 -0.509 36.6 -96.1 -95.5 176.3 -26.2 -5.6 -7.9 13 13 A A H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 289,-0.4 0.858 121.3 51.7 -64.2 -42.2 -29.7 -6.3 -6.5 14 14 A G H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 111.1 46.6 -62.5 -38.4 -31.6 -4.8 -9.4 15 15 A V H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.940 110.4 52.0 -69.3 -45.0 -29.7 -6.8 -12.0 16 16 A D H X S+ 0 0 87 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.930 114.1 44.7 -61.0 -41.2 -30.1 -10.1 -10.1 17 17 A R H X S+ 0 0 17 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.915 111.7 52.2 -63.5 -49.6 -33.9 -9.5 -9.9 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.918 110.8 46.4 -57.8 -44.2 -34.2 -8.4 -13.5 19 19 A I H X S+ 0 0 12 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.915 110.9 52.4 -62.2 -42.9 -32.5 -11.5 -14.8 20 20 A S H X S+ 0 0 33 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.834 105.3 56.8 -61.4 -37.1 -34.6 -13.7 -12.6 21 21 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.930 111.2 42.2 -59.4 -46.7 -37.8 -12.0 -13.9 22 22 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.931 116.7 47.4 -69.2 -40.3 -36.9 -13.0 -17.5 23 23 A E H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 114.6 46.1 -65.9 -44.3 -35.7 -16.5 -16.6 24 24 A N H X S+ 0 0 46 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.894 110.2 53.2 -69.6 -35.3 -38.8 -17.2 -14.5 25 25 A A H X>S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.6 0.932 110.7 48.1 -66.6 -39.7 -41.1 -15.8 -17.2 26 26 A L H X5S+ 0 0 16 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.912 113.4 47.3 -59.1 -39.0 -39.4 -18.2 -19.7 27 27 A A H <5S+ 0 0 87 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.916 120.1 38.6 -77.5 -35.2 -39.8 -21.2 -17.3 28 28 A I H <5S+ 0 0 81 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.933 133.1 18.8 -77.3 -49.3 -43.5 -20.3 -16.6 29 29 A Y H <5S- 0 0 120 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.549 98.5-134.4 -99.0 -17.8 -44.8 -19.2 -20.0 30 30 A G << - 0 0 30 -4,-1.7 -1,-0.1 -5,-0.6 -3,-0.1 -0.012 47.0 -5.6 81.9 168.0 -42.3 -20.6 -22.4 31 31 A A S S+ 0 0 68 21,-0.1 23,-0.1 -4,-0.1 22,-0.1 -0.489 101.0 49.9 -72.5 147.0 -40.6 -19.0 -25.4 32 32 A P + 0 0 68 0, 0.0 2,-0.5 0, 0.0 36,-0.4 0.576 58.6 168.8 -91.8 148.4 -40.9 -16.3 -26.8 33 33 A I E -e 54 0B 0 20,-1.9 22,-2.6 34,-0.1 2,-0.3 -0.997 27.5-140.0-115.3 123.2 -40.8 -13.7 -24.0 34 34 A Y E -ef 55 69B 32 34,-2.7 36,-2.1 -2,-0.5 2,-0.4 -0.614 16.3-166.9 -85.2 138.2 -40.4 -10.2 -25.3 35 35 A V E -ef 56 70B 0 20,-2.7 22,-2.9 -2,-0.3 2,-1.0 -0.997 20.6-134.0-126.4 125.5 -38.1 -7.8 -23.5 36 36 A R E S-ef 57 71B 25 34,-2.8 36,-1.8 -2,-0.4 22,-0.2 -0.768 80.6 -16.9 -81.4 106.5 -38.1 -4.1 -24.1 37 37 A H S S- 0 0 25 20,-2.6 20,-0.1 -2,-1.0 36,-0.1 0.350 111.4 -45.7 78.0 155.6 -34.3 -3.3 -24.4 38 38 A E - 0 0 45 1,-0.2 35,-0.1 18,-0.1 3,-0.1 -0.238 58.8-129.3 -42.3 124.8 -31.4 -5.6 -23.3 39 39 A V S S- 0 0 0 1,-0.2 34,-2.2 33,-0.2 2,-0.3 0.870 91.9 -3.2 -52.9 -45.0 -32.7 -6.7 -19.7 40 40 A V S S- 0 0 2 2,-0.2 2,-1.9 32,-0.1 -1,-0.2 -0.917 88.5-101.4-136.9 161.6 -29.2 -5.6 -18.5 41 41 A H S S+ 0 0 8 -2,-0.3 181,-0.8 -3,-0.1 2,-0.4 -0.477 80.8 114.4 -88.3 68.2 -26.3 -4.3 -20.6 42 42 A N > - 0 0 0 -2,-1.9 4,-2.7 179,-0.1 5,-0.2 -0.950 53.7-155.3-139.5 122.2 -24.3 -7.5 -20.6 43 43 A R H > S+ 0 0 108 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.857 95.1 53.2 -66.4 -39.8 -23.7 -9.4 -23.9 44 44 A Y H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 113.4 42.2 -60.6 -44.5 -23.2 -12.7 -22.1 45 45 A V H > S+ 0 0 10 224,-0.2 4,-2.4 2,-0.2 5,-0.2 0.956 117.3 46.8 -66.3 -47.1 -26.4 -12.5 -20.2 46 46 A V H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.948 111.1 51.4 -63.5 -42.8 -28.4 -11.2 -23.3 47 47 A D H X S+ 0 0 67 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.910 112.4 46.0 -64.9 -39.3 -27.0 -13.8 -25.7 48 48 A S H X S+ 0 0 36 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.933 112.7 48.7 -73.5 -39.6 -27.9 -16.7 -23.4 49 49 A L H <>S+ 0 0 3 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.913 110.3 53.3 -63.3 -38.9 -31.4 -15.4 -22.7 50 50 A R H ><5S+ 0 0 118 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.926 107.8 50.1 -60.1 -43.1 -31.9 -14.9 -26.5 51 51 A E H 3<5S+ 0 0 168 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 108.2 54.2 -62.8 -32.4 -30.9 -18.6 -27.0 52 52 A R T 3<5S- 0 0 129 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.430 133.8 -83.7 -82.5 -0.9 -33.4 -19.6 -24.3 53 53 A G T < 5S+ 0 0 15 -3,-1.6 -20,-1.9 1,-0.4 2,-0.4 0.516 82.4 135.1 117.9 -6.0 -36.4 -17.7 -26.1 54 54 A A E < -e 33 0B 1 -5,-2.4 2,-0.5 -22,-0.2 -1,-0.4 -0.718 37.6-158.3 -73.8 142.0 -36.2 -14.1 -25.0 55 55 A I E -e 34 0B 67 -22,-2.6 -20,-2.7 -2,-0.4 2,-0.4 -0.972 7.4-149.0-120.9 119.5 -36.6 -11.6 -27.9 56 56 A F E +e 35 0B 29 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.737 24.4 169.3 -94.5 123.3 -35.2 -8.1 -27.2 57 57 A I E -e 36 0B 7 -22,-2.9 -20,-2.6 -2,-0.4 3,-0.1 -0.894 31.2-154.0-129.3 161.4 -37.0 -5.2 -28.9 58 58 A E S S+ 0 0 84 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.744 79.3 48.4-105.0 -34.4 -36.9 -1.4 -28.7 59 59 A Q S > S- 0 0 116 1,-0.1 3,-2.0 -23,-0.0 -1,-0.2 -0.919 72.8-134.2-115.9 136.6 -40.3 -0.4 -29.8 60 60 A I G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.804 103.7 69.7 -60.0 -25.7 -43.6 -1.8 -28.6 61 61 A S G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.507 88.9 64.6 -72.4 -2.0 -44.8 -2.0 -32.2 62 62 A E G < S+ 0 0 101 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.474 88.6 87.8 -86.6 -11.7 -42.3 -4.8 -32.7 63 63 A V S < S- 0 0 4 -3,-2.0 3,-0.1 -4,-0.2 6,-0.1 -0.806 77.1-131.1 -94.5 127.4 -44.3 -6.9 -30.3 64 64 A P > - 0 0 60 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 -0.336 33.8 -89.3 -75.1 155.2 -47.2 -9.1 -31.5 65 65 A D T 3 S+ 0 0 106 1,-0.2 24,-0.2 24,-0.1 22,-0.0 -0.248 111.9 27.2 -54.4 148.6 -50.7 -9.2 -29.9 66 66 A G T 3 S+ 0 0 52 22,-3.9 -1,-0.2 1,-0.2 23,-0.2 0.357 94.1 134.7 76.4 -4.0 -51.1 -11.7 -27.0 67 67 A A < - 0 0 13 -3,-1.4 23,-2.8 21,-0.4 2,-0.5 -0.244 58.9-117.9 -71.0 162.1 -47.4 -11.6 -26.1 68 68 A I E - g 0 90B 19 -36,-0.4 -34,-2.7 21,-0.2 2,-0.4 -0.882 33.8-170.7 -95.0 128.6 -45.6 -11.4 -22.7 69 69 A L E -fg 34 91B 0 21,-2.8 23,-3.0 -2,-0.5 2,-0.4 -0.971 9.6-166.4-126.0 131.9 -43.5 -8.3 -22.5 70 70 A I E -fg 35 92B 0 -36,-2.1 -34,-2.8 -2,-0.4 2,-0.3 -0.986 18.9-134.8-117.2 130.4 -41.0 -7.4 -19.8 71 71 A F E -fg 36 93B 1 21,-2.2 23,-2.0 -2,-0.4 -34,-0.1 -0.691 33.2-109.3 -81.2 141.9 -39.6 -3.9 -19.4 72 72 A S > - 0 0 0 -36,-1.8 3,-1.9 -2,-0.3 -33,-0.2 -0.109 29.4-100.5 -65.5 171.5 -35.7 -3.9 -18.9 73 73 A A T 3 S+ 0 0 9 -34,-2.2 23,-2.5 1,-0.3 26,-0.2 0.703 117.5 67.7 -65.8 -22.4 -34.1 -2.9 -15.5 74 74 A H T 3 S- 0 0 24 -35,-0.2 -1,-0.3 21,-0.2 55,-0.2 0.579 104.4-128.1 -75.9 -16.0 -33.3 0.6 -16.8 75 75 A G < - 0 0 0 -3,-1.9 2,-0.3 54,-0.1 54,-0.2 -0.018 15.2-111.4 92.9 171.5 -37.0 1.5 -16.9 76 76 A V - 0 0 0 53,-0.2 53,-0.1 52,-0.1 -5,-0.0 -0.918 27.6 -96.5-138.4 160.3 -39.2 3.0 -19.6 77 77 A S > - 0 0 22 -2,-0.3 4,-2.5 1,-0.1 56,-0.2 -0.227 36.1-112.0 -69.4 164.5 -41.1 6.2 -20.3 78 78 A Q H > S+ 0 0 70 54,-2.2 4,-3.1 51,-0.3 5,-0.2 0.880 119.8 59.4 -65.3 -30.9 -44.8 6.6 -19.4 79 79 A A H > S+ 0 0 72 53,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.933 107.4 45.0 -64.0 -40.2 -45.5 6.8 -23.2 80 80 A V H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.943 114.5 49.3 -65.8 -47.6 -43.9 3.3 -23.6 81 81 A R H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 113.2 45.4 -57.9 -45.2 -45.8 2.0 -20.6 82 82 A N H X S+ 0 0 81 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.890 109.3 55.6 -72.6 -28.9 -49.2 3.4 -21.8 83 83 A E H X S+ 0 0 78 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.952 111.5 45.1 -66.6 -43.9 -48.5 2.1 -25.4 84 84 A A H < S+ 0 0 1 -4,-2.6 5,-0.4 1,-0.2 3,-0.3 0.913 111.1 53.6 -62.3 -42.1 -48.1 -1.4 -23.8 85 85 A K H < S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.832 109.9 47.0 -57.2 -36.2 -51.2 -0.9 -21.6 86 86 A S H < S+ 0 0 100 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.721 104.1 75.8 -86.9 -18.6 -53.4 -0.1 -24.7 87 87 A R S < S- 0 0 66 -4,-1.2 2,-1.4 -3,-0.3 -22,-0.0 -0.352 100.0 -98.5 -85.6 169.4 -52.1 -3.0 -26.7 88 88 A D S S+ 0 0 104 -2,-0.1 -22,-3.9 2,-0.0 -21,-0.4 -0.654 78.7 124.4 -93.0 80.5 -53.1 -6.7 -26.1 89 89 A L - 0 0 23 -2,-1.4 2,-0.6 -5,-0.4 -21,-0.2 -0.975 61.9-129.7-141.0 145.7 -50.0 -7.7 -24.0 90 90 A T E -g 68 0B 67 -23,-2.8 -21,-2.8 -2,-0.3 2,-0.4 -0.922 37.8-157.2 -96.4 121.8 -49.2 -9.2 -20.6 91 91 A V E -g 69 0B 52 -2,-0.6 2,-0.3 -23,-0.2 -21,-0.2 -0.850 20.3-179.3-110.4 131.4 -46.6 -6.9 -19.0 92 92 A F E -g 70 0B 23 -23,-3.0 -21,-2.2 -2,-0.4 2,-0.6 -0.931 20.6-141.8-121.2 148.2 -44.1 -7.5 -16.3 93 93 A D E +g 71 0B 44 -2,-0.3 -21,-0.1 -23,-0.2 -23,-0.1 -0.924 22.0 176.4-116.1 113.1 -41.8 -4.7 -15.1 94 94 A A + 0 0 0 -23,-2.0 -76,-0.1 -2,-0.6 -22,-0.1 0.338 33.8 142.2 -92.9 11.8 -38.1 -5.5 -14.3 95 95 A T - 0 0 4 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.190 60.8-111.2 -47.6 130.3 -37.4 -1.8 -13.6 96 96 A C >> - 0 0 18 -23,-2.5 4,-2.3 1,-0.2 3,-1.9 -0.449 19.5-126.6 -65.8 144.0 -35.0 -1.7 -10.7 97 97 A P H 3> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.806 109.9 60.3 -59.4 -26.4 -36.7 -0.2 -7.6 98 98 A L H 34 S+ 0 0 46 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.664 107.8 46.0 -80.4 -10.7 -33.9 2.4 -7.2 99 99 A V H X> S+ 0 0 6 -3,-1.9 4,-2.3 -26,-0.2 3,-0.6 0.846 108.6 54.8 -84.4 -46.5 -34.9 3.7 -10.8 100 100 A T H 3X S+ 0 0 50 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.888 100.8 60.5 -52.8 -41.1 -38.6 3.7 -10.0 101 101 A K H 3X S+ 0 0 110 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.911 107.2 45.3 -56.2 -39.2 -37.8 5.9 -7.0 102 102 A V H <> S+ 0 0 1 -3,-0.6 4,-2.0 -4,-0.5 3,-0.4 0.933 109.1 56.7 -68.3 -45.1 -36.4 8.6 -9.3 103 103 A H H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.896 101.9 54.9 -55.4 -44.3 -39.3 8.2 -11.7 104 104 A M H X S+ 0 0 114 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.862 107.2 50.8 -62.1 -33.4 -41.9 9.0 -9.0 105 105 A E H X S+ 0 0 47 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.903 110.2 48.6 -70.2 -38.9 -40.2 12.3 -8.2 106 106 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.926 110.7 51.6 -66.9 -38.7 -40.2 13.3 -11.8 107 107 A A H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.880 107.9 52.5 -63.7 -35.9 -43.9 12.4 -12.2 108 108 A R H X S+ 0 0 76 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.914 109.1 48.5 -67.5 -44.4 -44.8 14.5 -9.1 109 109 A A H X>S+ 0 0 8 -4,-2.0 5,-2.3 1,-0.2 4,-0.6 0.906 109.9 53.7 -64.0 -37.9 -43.0 17.6 -10.5 110 110 A S H ><5S+ 0 0 9 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.932 105.4 52.0 -58.8 -44.6 -44.8 17.1 -13.8 111 111 A R H 3<5S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.821 111.8 48.5 -61.1 -35.9 -48.2 17.1 -12.1 112 112 A R H 3<5S- 0 0 146 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.498 109.2-123.0 -82.6 -8.5 -47.3 20.3 -10.4 113 113 A G T <<5 + 0 0 16 -3,-1.3 2,-0.4 -4,-0.6 -3,-0.2 0.766 65.7 139.5 70.9 24.8 -46.1 22.0 -13.6 114 114 A E < - 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0 0 0 -47,-2.4 3,-0.6 -2,-0.3 29,-0.2 -0.444 36.8-125.2 -64.2 151.0 -29.2 8.9 -13.3 167 167 A T T 3 S+ 0 0 9 1,-0.2 30,-2.1 29,-0.2 33,-0.3 0.641 99.5 48.8 -78.0 -16.8 -28.4 6.0 -11.0 168 168 A T T 3 S+ 0 0 18 28,-0.2 -1,-0.2 32,-0.1 62,-0.2 0.085 79.8 127.5-118.5 17.6 -25.0 4.9 -12.5 169 169 A L S < S- 0 0 5 -3,-0.6 2,-0.4 1,-0.1 3,-0.1 -0.254 71.5 -83.5 -74.8 167.8 -23.0 8.2 -12.9 170 170 A S > - 0 0 10 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.502 34.6-145.8 -62.6 125.1 -19.5 9.1 -11.7 171 171 A V H > S+ 0 0 23 -2,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.953 98.2 47.9 -61.7 -44.2 -19.9 10.1 -8.0 172 172 A D H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 113.5 44.4 -67.1 -47.1 -17.1 12.7 -8.4 173 173 A D H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 111.2 54.5 -67.9 -33.4 -18.4 14.3 -11.7 174 174 A T H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.906 103.3 55.7 -67.3 -37.4 -22.0 14.4 -10.4 175 175 A S H X S+ 0 0 49 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.901 106.7 51.6 -56.6 -43.9 -20.8 16.4 -7.3 176 176 A D H X S+ 0 0 86 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.893 110.3 48.5 -62.2 -40.3 -19.3 18.9 -9.7 177 177 A V H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.946 111.9 48.8 -66.0 -42.3 -22.6 19.2 -11.6 178 178 A I H X S+ 0 0 15 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.893 107.5 54.1 -63.6 -41.0 -24.6 19.7 -8.4 179 179 A D H X S+ 0 0 90 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.926 111.1 46.9 -64.8 -38.7 -22.3 22.3 -7.1 180 180 A A H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.924 110.4 52.5 -62.7 -47.7 -22.9 24.2 -10.4 181 181 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.910 110.1 47.9 -49.7 -47.1 -26.7 23.7 -10.1 182 182 A R H < S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.2 49.7 -73.9 -30.9 -26.7 25.2 -6.6 183 183 A K H < S+ 0 0 170 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.886 119.5 36.6 -67.8 -38.3 -24.6 28.2 -7.6 184 184 A R H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.859 130.7 29.4 -81.9 -35.9 -26.7 29.0 -10.6 185 185 A F >< - 0 0 4 -4,-3.0 3,-2.4 -5,-0.2 -1,-0.3 -0.756 68.1-179.4-127.5 80.9 -30.1 28.1 -9.0 186 186 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.734 80.2 51.7 -63.9 -24.3 -29.8 28.7 -5.3 187 187 A K T 3 S+ 0 0 115 -29,-0.3 -26,-0.4 2,-0.1 -5,-0.1 0.388 79.1 130.6 -91.3 8.5 -33.4 27.6 -4.5 188 188 A I < - 0 0 5 -3,-2.4 2,-0.4 -7,-0.2 -26,-0.2 -0.275 45.9-147.5 -65.5 144.6 -33.1 24.2 -6.3 189 189 A V B +j 162 0C 81 -28,-2.2 -26,-2.0 310,-0.0 -1,-0.1 -0.905 29.7 141.6-116.3 137.5 -34.3 21.3 -4.3 190 190 A G - 0 0 6 -2,-0.4 310,-0.2 -28,-0.2 -26,-0.1 -0.846 52.0 -61.6-147.9-171.2 -33.0 17.7 -4.5 191 191 A P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.098 64.9 -90.0 -67.5 179.0 -32.1 14.6 -2.4 192 192 A R S S- 0 0 54 2,-0.1 -2,-0.0 307,-0.0 307,-0.0 0.893 112.2 -11.5 -62.1 -37.6 -29.5 15.0 0.3 193 193 A K S S- 0 0 121 1,-0.4 2,-0.2 3,-0.1 -15,-0.0 0.547 110.9 -65.9-124.2 -77.5 -26.8 13.9 -2.2 194 194 A D - 0 0 23 2,-0.2 -1,-0.4 -4,-0.1 -2,-0.1 -0.859 43.8 -92.0-164.0-173.1 -28.0 12.5 -5.6 195 195 A D S S+ 0 0 14 -2,-0.2 2,-0.2 -29,-0.2 -93,-0.1 0.206 72.4 133.4-100.3 8.7 -29.8 9.4 -7.0 196 196 A I - 0 0 15 1,-0.1 -28,-0.2 -28,-0.1 -2,-0.2 -0.457 58.4-123.1 -62.0 130.2 -26.6 7.5 -7.6 197 197 A C > - 0 0 22 -30,-2.1 4,-2.5 -2,-0.2 5,-0.2 -0.236 14.6-106.1 -81.2 167.3 -27.4 4.0 -6.2 198 198 A Y H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 117.9 54.4 -55.9 -34.9 -25.6 2.1 -3.5 199 199 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.3 46.1 -73.7 -37.5 -24.1 -0.3 -6.1 200 200 A T H > S+ 0 0 7 -33,-0.3 4,-2.3 2,-0.2 5,-0.2 0.948 115.2 47.0 -69.1 -46.6 -22.6 2.4 -8.2 201 201 A T H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 115.6 45.9 -57.8 -46.3 -21.1 4.2 -5.2 202 202 A N H X S+ 0 0 14 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.904 112.4 48.7 -72.4 -35.9 -19.8 1.0 -3.7 203 203 A R H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.902 112.2 49.8 -73.0 -33.7 -18.2 -0.3 -7.0 204 204 A Q H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.920 111.4 48.3 -67.1 -41.9 -16.6 3.1 -7.6 205 205 A E H X S+ 0 0 79 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.924 113.1 50.2 -62.8 -41.2 -15.1 3.2 -4.0 206 206 A A H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.877 109.1 47.7 -67.2 -38.1 -13.9 -0.4 -4.6 207 207 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.842 108.2 57.9 -74.9 -27.3 -12.2 0.3 -7.9 208 208 A R H X S+ 0 0 89 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.963 109.9 43.6 -60.8 -46.0 -10.5 3.4 -6.3 209 209 A A H X S+ 0 0 44 -4,-2.2 4,-0.9 1,-0.2 3,-0.2 0.930 115.3 50.1 -66.0 -38.6 -9.0 1.1 -3.6 210 210 A L H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-1.0 0.942 108.3 50.5 -65.9 -42.9 -8.0 -1.4 -6.3 211 211 A A H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.743 99.5 66.0 -72.2 -20.2 -6.4 1.1 -8.6 212 212 A E H 3< S+ 0 0 146 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.850 115.6 28.8 -66.7 -33.5 -4.3 2.4 -5.7 213 213 A Q H << S+ 0 0 109 -3,-1.0 2,-0.3 -4,-0.9 -2,-0.2 0.775 112.2 72.2 -90.8 -38.1 -2.5 -1.0 -5.6 214 214 A A < - 0 0 0 -4,-2.5 48,-0.2 1,-0.1 3,-0.1 -0.593 56.7-156.8 -89.3 144.9 -2.7 -2.2 -9.2 215 215 A E S S+ 0 0 81 46,-2.3 26,-1.5 -2,-0.3 2,-0.4 0.776 89.2 28.0 -79.2 -32.7 -0.9 -0.9 -12.3 216 216 A V E S-cd 241 262A 3 45,-1.1 47,-3.0 24,-0.2 2,-0.4 -0.996 71.3-159.8-134.4 137.6 -3.5 -2.2 -14.7 217 217 A V E -cd 242 263A 0 24,-2.5 26,-2.2 -2,-0.4 2,-0.5 -0.972 2.1-159.5-122.7 130.6 -7.2 -2.6 -14.0 218 218 A L E -cd 243 264A 0 45,-2.9 47,-2.5 -2,-0.4 2,-0.6 -0.940 7.0-162.4-105.7 125.1 -9.5 -4.9 -16.1 219 219 A V E -cd 244 265A 0 24,-2.9 26,-2.7 -2,-0.5 2,-0.7 -0.953 11.5-144.1-109.0 115.7 -13.2 -4.1 -15.8 220 220 A V E +cd 245 266A 0 45,-2.5 47,-2.7 -2,-0.6 2,-0.3 -0.713 53.9 102.2 -80.2 117.1 -15.5 -6.9 -16.9 221 221 A G - 0 0 0 24,-2.5 -179,-0.1 -2,-0.7 26,-0.1 -0.841 68.7 -88.1 179.1 163.6 -18.6 -5.3 -18.6 222 222 A S > - 0 0 4 -181,-0.8 3,-1.9 -2,-0.3 7,-0.2 -0.297 38.6-110.9 -83.1 158.5 -20.1 -4.6 -22.0 223 223 A K T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.806 116.4 52.5 -61.6 -29.3 -19.4 -1.4 -24.0 224 224 A N T 3 S+ 0 0 69 -183,-0.0 2,-0.8 4,-0.0 -1,-0.3 0.336 80.7 109.1 -92.8 12.2 -22.9 -0.1 -23.5 225 225 A S <> - 0 0 2 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 -0.765 50.5-166.6 -89.2 107.7 -22.8 -0.5 -19.7 226 226 A S H > S+ 0 0 10 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.928 87.5 48.6 -56.4 -52.3 -22.7 3.0 -18.2 227 227 A N H > S+ 0 0 18 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.874 111.6 50.7 -60.9 -39.1 -21.8 1.9 -14.7 228 228 A S H >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.923 107.5 52.0 -64.8 -41.9 -19.0 -0.4 -16.1 229 229 A N H 3X S+ 0 0 53 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.897 103.8 59.6 -61.7 -33.9 -17.5 2.4 -18.2 230 230 A R H 3X S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.845 103.8 51.4 -59.3 -34.8 -17.4 4.6 -15.0 231 231 A L H S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 3,-0.4 0.896 112.2 52.3 -69.5 -39.0 -9.0 3.9 -12.8 236 236 A Q H ><5S+ 0 0 99 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.906 104.9 53.8 -58.7 -41.3 -7.8 5.8 -15.9 237 237 A R H 3<5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 102.0 60.2 -69.2 -24.1 -8.1 9.1 -14.3 238 238 A M T 3<5S- 0 0 73 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.398 125.8-104.2 -80.3 1.6 -5.8 7.7 -11.4 239 239 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.581 80.9 127.5 88.7 14.7 -3.2 7.1 -14.1 240 240 A K < - 0 0 55 -5,-2.0 2,-0.3 -24,-0.0 -1,-0.3 -0.732 66.8-111.4-100.8 152.6 -3.6 3.4 -14.4 241 241 A R E -c 216 0A 110 -26,-1.5 -24,-2.5 -2,-0.3 2,-0.4 -0.638 44.5-178.1 -76.7 133.7 -4.1 1.6 -17.7 242 242 A A E -c 217 0A 8 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -1.000 12.4-166.0-141.0 137.6 -7.7 0.2 -17.6 243 243 A F E -c 218 0A 39 -26,-2.2 -24,-2.9 -2,-0.4 2,-0.6 -0.991 16.4-143.3-127.8 133.3 -9.6 -1.8 -20.1 244 244 A L E +c 219 0A 21 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.849 34.4 177.8 -90.1 123.9 -13.3 -2.6 -20.3 245 245 A I E -c 220 0A 1 -26,-2.7 -24,-2.5 -2,-0.6 3,-0.1 -0.953 36.2-150.5-134.4 144.4 -13.6 -6.2 -21.5 246 246 A D S S- 0 0 8 -2,-0.3 2,-0.3 1,-0.2 -202,-0.1 0.839 80.1 -21.4 -75.5 -38.0 -16.5 -8.6 -22.2 247 247 A D S > S- 0 0 43 -26,-0.1 3,-1.8 30,-0.1 -1,-0.2 -0.946 78.3 -76.2-165.2 175.2 -14.5 -11.7 -21.4 248 248 A A G > S+ 0 0 15 -2,-0.3 3,-1.6 1,-0.3 26,-0.0 0.765 117.1 67.7 -60.5 -28.8 -11.1 -13.3 -21.1 249 249 A K G 3 S+ 0 0 194 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.722 91.2 63.7 -64.0 -23.8 -10.6 -13.6 -24.8 250 250 A D G < S+ 0 0 55 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.613 76.5 109.1 -69.0 -19.0 -10.4 -9.7 -25.0 251 251 A I < - 0 0 11 -3,-1.6 2,-0.4 -4,-0.2 3,-0.0 -0.529 58.3-153.5 -72.2 120.1 -7.2 -9.6 -22.9 252 252 A Q > - 0 0 120 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.831 16.1-132.5 -90.4 132.1 -4.2 -8.6 -25.1 253 253 A E G >> S+ 0 0 113 -2,-0.4 3,-1.5 1,-0.3 4,-1.4 0.839 101.9 64.9 -58.1 -32.7 -0.9 -10.0 -23.6 254 254 A E G 34 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.769 90.7 67.1 -56.4 -29.3 0.9 -6.6 -24.0 255 255 A W G <4 S+ 0 0 27 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.783 116.6 22.9 -66.6 -29.1 -1.5 -5.1 -21.4 256 256 A V T X4 S+ 0 0 6 -3,-1.5 3,-2.0 -4,-0.4 -2,-0.2 0.426 84.9 129.5-120.2 -1.7 -0.1 -7.2 -18.6 257 257 A K T 3< S- 0 0 130 -4,-1.4 3,-0.1 1,-0.3 29,-0.1 -0.342 90.6 -3.7 -56.1 121.6 3.4 -8.2 -19.8 258 258 A E T 3 S+ 0 0 176 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.667 96.9 141.7 73.3 11.4 5.9 -7.4 -17.0 259 259 A V < - 0 0 20 -3,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.753 39.5-159.5 -86.1 132.8 3.2 -5.9 -14.9 260 260 A K S S+ 0 0 172 -2,-0.4 -258,-2.8 1,-0.2 2,-0.4 0.733 75.5 27.7 -84.4 -28.9 3.6 -6.7 -11.1 261 261 A C E -a 2 0A 10 -260,-0.2 -46,-2.3 26,-0.0 -45,-1.1 -0.951 63.4-176.8-142.0 117.5 -0.0 -6.1 -9.9 262 262 A V E -ad 3 216A 0 -260,-2.7 -258,-2.7 -2,-0.4 2,-0.4 -0.955 12.1-153.6-113.4 135.7 -3.2 -6.4 -12.0 263 263 A G E -ad 4 217A 0 -47,-3.0 -45,-2.9 -2,-0.4 2,-0.4 -0.855 6.0-164.1-108.5 144.7 -6.6 -5.6 -10.6 264 264 A V E +ad 5 218A 0 -260,-2.8 -258,-2.4 -2,-0.4 2,-0.3 -0.994 16.3 157.8-125.7 133.3 -9.9 -7.1 -11.8 265 265 A T E - 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