==== 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 24-OCT-09 3KE9 . 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 . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 69.5 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 . 66 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 2 0 2 1 2 1 0 2 2 3 2 1 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 60 0, 0.0 287,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.8 2.5 -11.6 -11.6 2 2 A Q E -a 261 0A 92 258,-2.6 260,-2.5 285,-0.2 2,-0.6 -0.745 360.0-149.5 -94.1 137.2 0.1 -10.9 -8.8 3 3 A I E -ab 262 290A 0 286,-0.6 288,-3.6 -2,-0.4 2,-0.4 -0.933 11.9-167.8-111.5 120.6 -3.7 -10.9 -9.4 4 4 A L E -ab 263 291A 2 258,-2.5 260,-2.6 -2,-0.6 2,-0.5 -0.844 7.8-152.1-108.1 143.0 -5.9 -8.7 -7.3 5 5 A L E -ab 264 292A 12 286,-2.5 288,-3.1 -2,-0.4 260,-0.2 -0.966 16.7-131.9-117.3 122.7 -9.7 -8.9 -7.2 6 6 A A - 0 0 0 258,-2.5 201,-0.1 -2,-0.5 289,-0.1 -0.341 26.9-118.9 -68.7 151.3 -11.7 -5.7 -6.3 7 7 A N S S+ 0 0 46 287,-0.3 289,-0.5 1,-0.2 2,-0.1 -0.950 90.7 27.2-149.5 125.7 -14.4 -6.0 -3.7 8 8 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.530 87.4 144.4 -77.1 165.8 -17.2 -5.5 -4.1 9 9 A R + 0 0 54 -2,-0.1 258,-0.2 2,-0.1 259,-0.1 -0.940 38.5 18.4-154.5 166.0 -17.6 -6.3 -7.8 10 10 A G S S+ 0 0 8 256,-2.1 256,-0.1 -2,-0.3 193,-0.1 -0.155 94.3 33.5 70.9-158.7 -20.1 -7.9 -10.1 11 11 A F - 0 0 65 259,-0.7 258,-0.2 258,-0.1 2,-0.2 0.064 60.2-161.0 -39.3 128.1 -23.8 -8.4 -9.7 12 12 A C > - 0 0 19 256,-1.2 4,-2.1 1,-0.0 5,-0.2 -0.494 37.5 -96.6-101.1 176.0 -25.8 -5.9 -7.7 13 13 A A H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 289,-0.4 0.841 122.0 53.1 -65.5 -35.2 -29.2 -6.5 -6.1 14 14 A G H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 110.5 45.7 -66.6 -46.8 -31.1 -5.0 -9.0 15 15 A V H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.945 111.0 51.8 -61.9 -49.2 -29.4 -7.1 -11.6 16 16 A D H X S+ 0 0 81 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.898 113.1 46.9 -55.4 -41.3 -29.8 -10.3 -9.7 17 17 A R H X S+ 0 0 20 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.930 110.4 51.3 -66.5 -46.8 -33.5 -9.6 -9.3 18 18 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.891 112.1 46.7 -59.6 -41.7 -34.0 -8.6 -13.0 19 19 A I H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.939 111.5 50.8 -67.2 -45.6 -32.4 -11.8 -14.2 20 20 A S H X S+ 0 0 29 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.860 105.3 58.2 -59.5 -35.5 -34.4 -14.0 -11.7 21 21 A I H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.940 110.6 41.7 -60.1 -46.9 -37.6 -12.3 -13.0 22 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.927 116.0 48.6 -67.1 -44.9 -36.9 -13.4 -16.5 23 23 A E H X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.931 114.6 44.8 -60.8 -47.5 -35.7 -16.9 -15.5 24 24 A N H X S+ 0 0 47 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.846 110.8 53.6 -67.0 -35.5 -38.7 -17.5 -13.3 25 25 A A H X S+ 0 0 0 -4,-1.9 4,-3.5 -5,-0.3 5,-0.4 0.951 111.2 47.3 -62.7 -46.5 -41.2 -16.1 -15.8 26 26 A L H X S+ 0 0 11 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.855 113.3 47.8 -61.5 -37.5 -39.7 -18.6 -18.3 27 27 A A H < S+ 0 0 79 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.807 118.7 40.8 -74.6 -29.3 -40.0 -21.4 -15.8 28 28 A I H < S+ 0 0 89 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.897 132.6 19.6 -84.9 -45.2 -43.5 -20.5 -14.9 29 29 A Y H < S- 0 0 109 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.427 101.3-134.7-106.8 -1.3 -45.0 -19.7 -18.4 30 30 A G < - 0 0 32 -4,-1.3 -1,-0.2 -5,-0.4 -3,-0.1 0.075 47.4 -4.0 69.3 172.0 -42.4 -21.5 -20.6 31 31 A A S S+ 0 0 68 21,-0.1 23,-0.1 -4,-0.1 22,-0.1 -0.459 98.3 48.5 -79.3 153.5 -40.8 -20.0 -23.7 32 32 A P + 0 0 67 0, 0.0 2,-0.4 0, 0.0 36,-0.4 0.589 56.5 168.1 -96.3 159.7 -41.0 -17.6 -25.3 33 33 A I E -e 54 0B 0 20,-1.3 22,-3.1 34,-0.1 2,-0.4 -0.998 26.4-139.5-126.7 124.0 -40.9 -14.6 -23.0 34 34 A Y E -ef 55 69B 43 34,-2.3 36,-1.7 -2,-0.4 2,-0.4 -0.707 16.1-169.1 -89.6 138.7 -40.3 -11.2 -24.6 35 35 A V E -ef 56 70B 0 20,-2.6 22,-2.2 -2,-0.4 2,-0.8 -0.992 22.8-128.9-128.3 127.0 -38.1 -8.6 -23.0 36 36 A R E S-ef 57 71B 33 34,-2.2 36,-0.7 -2,-0.4 22,-0.2 -0.645 79.1 -24.3 -77.7 108.2 -37.8 -5.0 -24.1 37 37 A H S S- 0 0 26 20,-3.2 20,-0.2 -2,-0.8 21,-0.1 0.173 113.6 -37.5 70.2 162.1 -34.1 -4.3 -24.6 38 38 A E - 0 0 52 1,-0.2 35,-0.1 18,-0.1 3,-0.1 -0.306 57.0-132.3 -52.4 131.4 -31.4 -6.3 -22.9 39 39 A V S S- 0 0 0 1,-0.2 34,-2.2 33,-0.2 35,-0.3 0.899 92.8 -0.3 -55.4 -40.4 -32.7 -7.0 -19.4 40 40 A V S S- 0 0 2 2,-0.2 2,-2.1 32,-0.1 -1,-0.2 -0.949 91.6 -97.8-142.3 155.6 -29.3 -5.9 -18.2 41 41 A H S S+ 0 0 17 -2,-0.3 181,-0.7 -3,-0.1 2,-0.4 -0.390 82.3 111.0 -79.9 66.3 -26.3 -4.6 -20.3 42 42 A N > - 0 0 1 -2,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.937 55.2-153.3-142.0 117.7 -24.3 -7.9 -20.4 43 43 A R H > S+ 0 0 112 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.878 97.3 47.8 -54.4 -45.8 -23.8 -9.9 -23.6 44 44 A Y H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.924 111.7 49.3 -64.9 -45.8 -23.3 -13.2 -21.7 45 45 A V H > S+ 0 0 7 224,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.933 112.8 47.8 -57.8 -47.8 -26.3 -12.8 -19.5 46 46 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.909 112.0 49.9 -60.9 -43.0 -28.5 -11.9 -22.4 47 47 A D H X S+ 0 0 69 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.945 108.5 52.3 -61.2 -48.3 -27.2 -14.9 -24.4 48 48 A S H X S+ 0 0 35 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.879 109.9 49.8 -55.6 -40.2 -27.9 -17.3 -21.4 49 49 A L H X>S+ 0 0 2 -4,-2.0 5,-2.4 2,-0.2 4,-0.6 0.867 105.4 55.1 -68.5 -38.4 -31.5 -16.0 -21.2 50 50 A R H ><5S+ 0 0 120 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.929 104.8 55.9 -59.4 -42.3 -32.1 -16.5 -25.0 51 51 A E H 3<5S+ 0 0 171 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.876 106.1 50.3 -55.8 -39.0 -31.0 -20.1 -24.4 52 52 A R H 3<5S- 0 0 138 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.550 135.4 -86.6 -79.0 -6.3 -33.7 -20.5 -21.7 53 53 A G T <<5S+ 0 0 15 -3,-1.6 -20,-1.3 -4,-0.6 -3,-0.2 0.519 77.3 142.7 117.3 6.5 -36.3 -19.1 -24.1 54 54 A A E < -e 33 0B 1 -5,-2.4 2,-0.5 -22,-0.2 -1,-0.3 -0.558 32.5-157.0 -83.9 144.5 -36.2 -15.2 -23.9 55 55 A I E -e 34 0B 75 -22,-3.1 -20,-2.6 -2,-0.2 2,-0.6 -0.961 7.1-153.4-122.9 113.8 -36.7 -13.0 -26.9 56 56 A F E +e 35 0B 36 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.766 19.4 174.5 -92.5 121.7 -35.3 -9.4 -26.7 57 57 A I E -e 36 0B 8 -22,-2.2 -20,-3.2 -2,-0.6 3,-0.1 -0.794 30.6-144.1-120.7 164.0 -37.0 -6.8 -28.8 58 58 A E S S+ 0 0 102 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.745 82.7 36.7 -98.9 -29.8 -36.6 -3.0 -29.2 59 59 A Q S > S- 0 0 128 1,-0.1 3,-1.9 -22,-0.0 4,-0.4 -0.978 74.3-126.0-130.3 143.0 -40.1 -1.9 -29.8 60 60 A I G > S+ 0 0 3 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.742 106.5 71.9 -52.1 -27.3 -43.5 -3.1 -28.4 61 61 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.881 89.8 59.5 -57.6 -38.7 -44.7 -3.5 -32.0 62 62 A E G < S+ 0 0 103 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.697 88.9 91.9 -62.7 -20.7 -42.3 -6.5 -32.3 63 63 A V S < S- 0 0 0 -3,-1.5 3,-0.1 -4,-0.4 6,-0.1 -0.690 77.2-131.5 -85.1 121.4 -44.3 -8.2 -29.4 64 64 A P > - 0 0 58 0, 0.0 3,-1.3 0, 0.0 2,-0.2 -0.174 31.7 -90.4 -64.5 159.0 -47.2 -10.4 -30.5 65 65 A D T 3 S+ 0 0 113 1,-0.2 24,-0.2 24,-0.1 3,-0.1 -0.530 112.9 23.1 -73.0 136.1 -50.7 -10.1 -28.9 66 66 A G T 3 S+ 0 0 46 22,-2.8 -1,-0.2 1,-0.3 2,-0.2 0.444 95.6 130.5 88.7 0.3 -51.1 -12.4 -25.9 67 67 A A < - 0 0 15 -3,-1.3 23,-1.6 21,-0.2 2,-0.4 -0.490 62.2-111.9 -88.2 157.4 -47.4 -12.6 -25.2 68 68 A I E - g 0 90B 26 -36,-0.4 -34,-2.3 21,-0.2 2,-0.4 -0.740 34.1-165.2 -88.5 132.5 -45.6 -12.0 -21.9 69 69 A L E -fg 34 91B 0 21,-3.6 23,-2.3 -2,-0.4 2,-0.4 -0.943 7.1-163.0-121.9 141.8 -43.5 -8.8 -21.8 70 70 A I E -fg 35 92B 0 -36,-1.7 -34,-2.2 -2,-0.4 2,-0.3 -0.989 15.7-136.1-126.7 131.4 -40.8 -7.8 -19.3 71 71 A F E -fg 36 93B 2 21,-2.0 23,-1.6 -2,-0.4 -34,-0.1 -0.649 33.2-109.4 -81.9 140.2 -39.4 -4.3 -18.9 72 72 A S > - 0 0 0 -36,-0.7 3,-1.9 -2,-0.3 -33,-0.2 -0.179 26.8-104.8 -69.0 164.2 -35.6 -4.2 -18.5 73 73 A A T 3 S+ 0 0 10 -34,-2.2 23,-2.3 1,-0.3 26,-0.2 0.721 115.9 68.5 -60.5 -23.0 -33.9 -3.3 -15.2 74 74 A H T 3 S- 0 0 25 -35,-0.3 -1,-0.3 21,-0.2 55,-0.1 0.642 104.7-127.3 -73.5 -14.7 -33.1 0.2 -16.6 75 75 A G < - 0 0 2 -3,-1.9 2,-0.3 54,-0.1 54,-0.2 -0.061 16.4-111.1 90.4 166.3 -36.8 1.2 -16.5 76 76 A V - 0 0 2 53,-0.2 53,-0.1 52,-0.1 50,-0.0 -0.944 24.3-101.1-138.5 159.1 -39.2 2.6 -19.1 77 77 A S > - 0 0 24 -2,-0.3 4,-2.3 1,-0.1 56,-0.2 -0.277 37.1-110.2 -73.0 162.3 -41.0 5.9 -19.8 78 78 A Q H > S+ 0 0 70 54,-2.3 4,-2.8 51,-0.2 5,-0.2 0.856 118.9 60.7 -62.0 -33.4 -44.7 6.2 -18.9 79 79 A A H > S+ 0 0 65 53,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.927 106.8 44.2 -59.3 -47.2 -45.4 6.3 -22.7 80 80 A V H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.946 112.5 51.7 -63.1 -47.9 -43.9 2.8 -23.1 81 81 A R H X S+ 0 0 69 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.893 114.0 45.1 -56.2 -40.1 -45.7 1.5 -20.0 82 82 A N H X S+ 0 0 88 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.917 108.9 55.1 -70.2 -42.8 -49.0 2.9 -21.4 83 83 A E H < S+ 0 0 80 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.818 111.3 45.8 -59.4 -32.1 -48.3 1.5 -24.9 84 84 A A H ><>S+ 0 0 0 -4,-2.1 5,-0.6 1,-0.2 3,-0.5 0.811 113.6 48.7 -79.8 -32.2 -47.8 -2.0 -23.3 85 85 A K H 3<5S+ 0 0 177 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.758 104.6 58.4 -78.4 -25.5 -51.0 -1.6 -21.2 86 86 A S T 3<5S+ 0 0 95 -4,-2.4 -1,-0.2 -5,-0.1 2,-0.2 0.513 104.1 70.4 -80.0 -4.6 -53.0 -0.4 -24.2 87 87 A R T < 5S- 0 0 64 -3,-0.5 2,-1.8 -5,-0.2 -3,-0.0 -0.628 100.6-102.0-107.8 167.6 -52.1 -3.7 -25.8 88 88 A D T 5S+ 0 0 108 -2,-0.2 -22,-2.8 2,-0.1 2,-0.4 -0.464 78.1 130.8 -86.2 63.4 -53.2 -7.3 -25.0 89 89 A L < - 0 0 20 -2,-1.8 2,-0.6 -5,-0.6 -21,-0.2 -0.953 57.2-137.7-125.5 140.9 -49.9 -8.0 -23.2 90 90 A T E -g 68 0B 70 -23,-1.6 -21,-3.6 -2,-0.4 2,-0.4 -0.840 32.9-157.8 -92.7 122.1 -49.0 -9.4 -19.8 91 91 A V E -g 69 0B 49 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.858 21.3-174.6-114.3 140.6 -46.3 -7.3 -18.2 92 92 A F E -g 70 0B 14 -23,-2.3 -21,-2.0 -2,-0.4 2,-0.7 -0.999 21.4-142.0-127.0 124.5 -43.6 -7.9 -15.6 93 93 A D E +g 71 0B 48 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.804 22.6 175.1 -96.0 111.6 -41.5 -5.0 -14.5 94 94 A A + 0 0 0 -23,-1.6 -76,-0.1 -2,-0.7 -1,-0.1 0.258 33.1 139.1 -94.8 10.1 -37.8 -5.8 -13.8 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.306 63.6-106.9 -55.0 135.0 -37.0 -2.1 -13.3 96 96 A C >> - 0 0 18 -23,-2.3 4,-2.4 1,-0.1 3,-1.4 -0.409 20.3-125.5 -67.0 140.1 -34.6 -1.9 -10.3 97 97 A P H 3> S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.814 111.2 57.4 -53.8 -33.4 -36.3 -0.5 -7.2 98 98 A L H 3> S+ 0 0 47 2,-0.2 4,-0.7 1,-0.2 -2,-0.1 0.737 108.4 45.4 -72.9 -23.2 -33.6 2.2 -7.0 99 99 A V H X> S+ 0 0 6 -3,-1.4 4,-2.3 2,-0.2 3,-0.6 0.874 110.4 53.8 -82.5 -43.8 -34.4 3.4 -10.5 100 100 A T H 3X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.878 101.9 60.4 -56.1 -38.7 -38.1 3.3 -9.7 101 101 A K H 3X S+ 0 0 102 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.886 107.2 44.3 -57.6 -40.9 -37.4 5.5 -6.7 102 102 A V H S+ 0 0 6 -4,-1.9 5,-1.8 1,-0.2 -1,-0.2 0.851 110.1 57.6 -63.6 -33.1 -42.4 17.0 -9.6 110 110 A S H ><5S+ 0 0 7 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.827 104.6 49.7 -66.7 -33.8 -44.3 16.6 -12.8 111 111 A R H 3<5S+ 0 0 158 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.758 108.3 53.3 -76.4 -25.3 -47.7 16.7 -11.0 112 112 A R T 3<5S- 0 0 142 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.179 109.8-123.8 -93.8 16.7 -46.6 19.9 -9.1 113 113 A G T < 5 + 0 0 25 -3,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.648 65.1 142.0 50.3 18.1 -45.8 21.6 -12.4 114 114 A E < - 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0 0 2 -4,-3.6 3,-2.7 -5,-0.2 -1,-0.2 -0.705 69.4-178.1-121.1 77.7 -29.8 27.9 -9.1 186 186 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.650 82.6 51.9 -50.1 -19.8 -29.2 28.5 -5.4 187 187 A K T 3 S+ 0 0 88 -29,-0.3 -26,-0.3 -3,-0.1 -5,-0.1 0.421 79.2 127.0 -99.8 0.9 -32.8 27.5 -4.5 188 188 A I < - 0 0 10 -3,-2.7 2,-0.3 -7,-0.2 -26,-0.2 -0.256 47.1-148.8 -59.5 143.8 -32.6 24.1 -6.4 189 189 A V B +j 162 0C 80 -28,-2.4 -26,-1.8 310,-0.0 -1,-0.1 -0.875 28.8 135.4-117.9 151.1 -33.7 21.1 -4.3 190 190 A G - 0 0 6 -2,-0.3 310,-0.2 -28,-0.2 -26,-0.1 -0.933 53.7 -46.4-168.4-170.1 -32.6 17.5 -4.3 191 191 A P - 0 0 11 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.232 68.1 -93.5 -68.2 167.2 -31.5 14.5 -2.4 192 192 A R S S- 0 0 61 2,-0.1 -2,-0.0 1,-0.0 307,-0.0 0.835 110.5 -17.2 -51.4 -33.5 -28.8 15.0 0.3 193 193 A K S S- 0 0 123 1,-0.3 2,-0.3 3,-0.0 -1,-0.0 0.459 112.4 -53.0-134.2 -75.1 -26.3 14.1 -2.3 194 194 A D - 0 0 23 2,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 -0.899 41.1-100.5-159.8-173.8 -27.4 12.3 -5.5 195 195 A D + 0 0 13 -2,-0.3 2,-0.4 -29,-0.2 -93,-0.1 0.169 69.3 131.0-107.1 15.6 -29.3 9.3 -6.8 196 196 A I - 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0 0 0 -4,-2.5 48,-0.2 1,-0.1 3,-0.1 -0.700 59.6-153.6 -97.6 147.5 -2.4 -2.7 -9.7 215 215 A E S S+ 0 0 78 46,-2.8 26,-1.6 -2,-0.3 2,-0.4 0.784 89.8 33.9 -83.6 -32.4 -0.5 -1.3 -12.7 216 216 A V E S-cd 241 262A 3 45,-1.3 47,-3.5 24,-0.2 2,-0.5 -0.976 71.0-160.2-127.4 139.0 -3.2 -2.6 -15.0 217 217 A V E -cd 242 263A 0 24,-2.8 26,-2.2 -2,-0.4 2,-0.5 -0.977 1.0-162.1-122.7 126.8 -7.0 -2.9 -14.3 218 218 A L E -cd 243 264A 0 45,-3.0 47,-2.5 -2,-0.5 2,-0.6 -0.925 7.3-161.7-107.1 126.7 -9.3 -5.2 -16.3 219 219 A V E -cd 244 265A 0 24,-3.2 26,-2.3 -2,-0.5 2,-0.5 -0.933 10.7-144.0-112.0 112.7 -13.0 -4.4 -15.9 220 220 A V E +cd 245 266A 0 45,-2.7 47,-2.8 -2,-0.6 2,-0.2 -0.627 54.2 95.7 -77.5 124.7 -15.4 -7.2 -16.9 221 221 A G S S- 0 0 0 24,-2.6 2,-0.1 -2,-0.5 -179,-0.1 -0.829 70.1 -82.3 165.4 157.6 -18.4 -5.8 -18.6 222 222 A S > - 0 0 4 -181,-0.7 3,-2.3 -2,-0.2 7,-0.2 -0.431 37.9-112.2 -82.6 154.3 -20.0 -5.0 -21.9 223 223 A K T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.791 116.5 50.8 -50.0 -36.5 -19.4 -1.9 -24.0 224 224 A N T 3 S+ 0 0 69 -183,-0.1 2,-0.9 4,-0.0 -1,-0.3 0.352 81.3 109.7 -89.0 6.4 -22.9 -0.6 -23.5 225 225 A S <> - 0 0 2 -3,-2.3 4,-2.0 1,-0.2 5,-0.2 -0.746 52.0-164.4 -86.4 109.3 -22.8 -0.9 -19.7 226 226 A S H > S+ 0 0 9 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.929 87.2 46.3 -57.4 -50.7 -22.7 2.6 -18.3 227 227 A N H > S+ 0 0 18 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.898 110.5 53.8 -63.2 -38.7 -21.6 1.6 -14.8 228 228 A S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.918 107.1 51.4 -60.6 -44.3 -18.9 -0.7 -16.1 229 229 A N H X S+ 0 0 53 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.858 103.8 58.3 -60.5 -37.5 -17.4 2.1 -18.2 230 230 A R H X S+ 0 0 36 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.862 103.7 53.4 -62.3 -34.2 -17.3 4.3 -15.2 231 231 A L H X S+ 0 0 2 -4,-1.3 4,-1.8 -3,-0.4 -1,-0.2 0.921 111.4 43.2 -66.0 -46.7 -15.0 1.8 -13.5 232 232 A A H X S+ 0 0 4 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.907 113.5 53.4 -65.2 -41.7 -12.5 1.6 -16.4 233 233 A E H X S+ 0 0 43 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 107.3 50.5 -59.2 -44.6 -12.6 5.4 -16.7 234 234 A L H X S+ 0 0 17 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.916 111.6 47.9 -62.2 -44.6 -11.8 5.9 -13.0 235 235 A A H ><>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 3,-0.9 0.930 111.3 50.7 -61.8 -46.8 -8.8 3.5 -13.2 236 236 A Q H ><5S+ 0 0 100 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.861 105.6 56.0 -60.0 -38.3 -7.6 5.3 -16.3 237 237 A R H 3<5S+ 0 0 141 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.715 99.3 60.5 -69.3 -20.5 -7.8 8.7 -14.6 238 238 A M T <<5S- 0 0 75 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.389 126.2-102.4 -86.0 4.8 -5.6 7.5 -11.8 239 239 A G T < 5S+ 0 0 67 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.521 82.0 125.9 89.8 6.7 -2.9 6.9 -14.5 240 240 A K < - 0 0 60 -5,-1.7 2,-0.4 1,-0.0 -1,-0.3 -0.627 67.8-108.4 -96.8 155.6 -3.3 3.1 -14.8 241 241 A R E -c 216 0A 101 -26,-1.6 -24,-2.8 -2,-0.2 2,-0.4 -0.709 45.7-179.3 -80.2 131.2 -3.9 1.2 -18.0 242 242 A A E -c 217 0A 7 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.998 11.7-168.1-136.7 139.7 -7.5 -0.1 -17.8 243 243 A F E -c 218 0A 39 -26,-2.2 -24,-3.2 -2,-0.4 2,-0.6 -0.993 17.0-142.8-132.6 136.9 -9.5 -2.1 -20.3 244 244 A L E +c 219 0A 22 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.861 33.9 174.5 -95.0 119.1 -13.2 -2.9 -20.5 245 245 A I E -c 220 0A 1 -26,-2.3 -24,-2.6 -2,-0.6 3,-0.1 -0.968 37.3-150.7-132.1 147.0 -13.6 -6.6 -21.7 246 246 A D S S- 0 0 15 -2,-0.3 2,-0.3 1,-0.2 -202,-0.1 0.763 80.4 -17.7 -82.2 -27.7 -16.5 -9.0 -22.2 247 247 A D S > S- 0 0 37 -26,-0.1 3,-1.9 30,-0.1 4,-0.4 -0.975 78.1 -77.2-166.0 176.5 -14.4 -12.0 -21.5 248 248 A A G > S+ 0 0 17 -2,-0.3 3,-1.5 1,-0.3 -1,-0.0 0.792 115.6 70.2 -54.9 -32.7 -11.0 -13.7 -21.2 249 249 A K G 3 S+ 0 0 182 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.716 90.7 60.4 -60.8 -22.5 -10.7 -13.8 -25.0 250 250 A D G < S+ 0 0 54 -3,-1.9 -1,-0.3 2,-0.1 2,-0.3 0.664 77.5 111.1 -80.4 -16.4 -10.3 -10.1 -25.2 251 251 A I < - 0 0 12 -3,-1.5 2,-0.5 -4,-0.4 3,-0.0 -0.423 55.6-157.1 -63.2 122.1 -7.2 -10.1 -23.1 252 252 A Q >> - 0 0 118 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.889 17.8-131.5-103.5 131.4 -4.2 -9.2 -25.2 253 253 A E H >> S+ 0 0 137 -2,-0.5 3,-1.5 1,-0.3 4,-0.7 0.828 102.6 63.7 -47.9 -43.1 -0.8 -10.4 -23.9 254 254 A E H >4 S+ 0 0 84 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.804 91.4 67.1 -56.1 -30.4 0.9 -7.0 -24.3 255 255 A W H <4 S+ 0 0 27 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.826 115.6 25.1 -60.6 -32.8 -1.5 -5.5 -21.7 256 256 A V H X< S+ 0 0 8 -3,-1.5 3,-1.8 -4,-0.5 -1,-0.2 0.276 84.3 135.8-117.8 11.1 0.1 -7.6 -19.0 257 257 A K T << S- 0 0 105 -4,-0.7 3,-0.1 -3,-0.5 -3,-0.0 -0.395 88.9 -9.3 -63.1 130.4 3.6 -8.3 -20.2 258 258 A E T 3 S+ 0 0 187 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.718 96.6 148.8 54.3 21.2 6.1 -7.9 -17.4 259 259 A V < - 0 0 17 -3,-1.8 -1,-0.2 1,-0.1 3,-0.2 -0.780 35.8-161.8 -88.6 121.7 3.3 -6.4 -15.3 260 260 A K S S+ 0 0 169 -2,-0.6 -258,-2.6 1,-0.2 2,-0.4 0.804 75.4 25.8 -73.7 -30.1 3.9 -7.1 -11.6 261 261 A C E -a 2 0A 12 -260,-0.2 -46,-2.8 26,-0.0 -45,-1.3 -0.930 62.6-179.6-143.3 118.1 0.4 -6.5 -10.4 262 262 A V E -ad 3 216A 0 -260,-2.5 -258,-2.5 -2,-0.4 2,-0.3 -0.938 13.7-152.6-116.2 134.7 -2.9 -6.7 -12.4 263 263 A G E -ad 4 217A 0 -47,-3.5 -45,-3.0 -2,-0.4 2,-0.4 -0.809 6.2-162.0-107.1 147.9 -6.3 -5.9 -10.9 264 264 A V E +ad 5 218A 0 -260,-2.6 -258,-2.5 -2,-0.3 2,-0.3 -0.989 17.0 156.2-131.3 136.8 -9.6 -7.3 -11.9 265 265 A T E - d 0 219A 0 -47,-2.5 -45,-2.7 -2,-0.4 2,-0.3 -0.823 23.8-137.9-142.5-177.7 -13.1 -6.1 -11.3 266 266 A A E - d 0 220A 0 -2,-0.3 -256,-2.1 -47,-0.2 -45,-0.2 -0.993 17.4-114.9-152.1 141.8 -16.6 -6.3 -12.8 267 267 A G > - 0 0 0 -47,-2.8 3,-1.6 -2,-0.3 -258,-0.0 -0.149 44.5 -94.8 -67.5 170.0 -19.5 -4.1 -13.5 268 268 A A T 3 S+ 0 0 8 1,-0.3 -256,-1.2 -257,-0.1 -253,-0.2 0.623 123.8 47.5 -63.0 -15.4 -22.9 -4.6 -11.8 269 269 A S T 3 S+ 0 0 4 -258,-0.2 -1,-0.3 -228,-0.2 -224,-0.2 0.328 86.4 104.6-110.1 8.3 -24.2 -6.7 -14.7 270 270 A A < - 0 0 1 -3,-1.6 -259,-0.7 -50,-0.2 -50,-0.1 -0.825 67.1-130.3 -99.0 120.0 -21.3 -9.0 -15.2 271 271 A P >> - 0 0 16 0, 0.0 3,-1.1 0, 0.0 4,-0.9 -0.242 18.1-120.8 -62.8 147.8 -21.6 -12.7 -13.9 272 272 A D H 3> S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.803 107.6 70.1 -63.7 -27.8 -18.9 -14.1 -11.8 273 273 A I H 3> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 96.8 53.7 -59.1 -32.8 -18.2 -16.9 -14.2 274 274 A L H <> S+ 0 0 16 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.880 108.4 48.5 -67.6 -38.0 -16.7 -14.3 -16.6 275 275 A V H X S+ 0 0 4 -4,-0.9 4,-2.7 -3,-0.3 -2,-0.2 0.908 108.9 54.4 -67.3 -41.8 -14.4 -13.1 -13.9 276 276 A Q H X S+ 0 0 106 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.902 109.0 47.1 -59.0 -43.3 -13.3 -16.7 -13.1 277 277 A N H X S+ 0 0 85 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.828 110.3 53.0 -68.6 -31.9 -12.4 -17.3 -16.8 278 278 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.921 108.8 49.6 -68.0 -43.0 -10.5 -14.0 -16.8 279 279 A V H X S+ 0 0 14 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.913 109.2 52.4 -61.6 -41.2 -8.5 -15.1 -13.8 280 280 A A H X S+ 0 0 43 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.907 110.0 48.4 -61.0 -43.2 -7.8 -18.4 -15.5 281 281 A R H X S+ 0 0 65 -4,-2.0 4,-1.2 1,-0.2 3,-0.3 0.932 110.4 50.5 -62.7 -47.3 -6.5 -16.6 -18.5 282 282 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 -1,-0.2 0.837 107.8 55.8 -60.4 -32.2 -4.3 -14.3 -16.4 283 283 A Q H ><5S+ 0 0 70 -4,-1.9 3,-1.3 3,-0.2 -1,-0.2 0.859 105.4 48.2 -71.0 -35.5 -2.9 -17.4 -14.6 284 284 A Q H 3<5S+ 0 0 132 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.719 107.2 59.9 -76.8 -15.5 -1.7 -19.0 -17.8 285 285 A L T 3<5S- 0 0 40 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.193 139.5 -80.7 -91.8 13.6 -0.2 -15.7 -18.6 286 286 A G T < 5S+ 0 0 51 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.2 0.380 85.7 139.3 106.8 -4.5 1.9 -16.0 -15.5 287 287 A G < - 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0 0 91 -2,-0.2 2,-0.4 -289,-0.0 -1,-0.1 -0.641 18.3-150.3 -84.3 137.3 -45.6 -5.5 -1.9 608 298 B E + 0 0 41 -2,-0.3 -306,-0.0 1,-0.1 -99,-0.0 -0.886 21.0 170.5-107.1 137.2 -42.3 -5.2 -0.2 609 299 B N + 0 0 28 -2,-0.4 -306,-3.3 -304,-0.0 2,-0.3 0.378 35.7 118.6-125.9 3.4 -39.2 -6.8 -1.7 610 300 B I E +K 302 0D 44 -308,-0.2 2,-0.4 -310,-0.1 -308,-0.2 -0.546 33.9 177.0 -80.2 134.5 -36.3 -5.5 0.4 611 301 B V E -K 301 0D 37 -310,-2.4 -310,-2.7 -2,-0.3 2,-0.5 -0.997 16.8-155.5-135.0 137.9 -34.1 -7.9 2.3 612 302 B F E -K 300 0D 17 -2,-0.4 -312,-0.2 -289,-0.3 2,-0.1 -0.963 19.8-141.0-115.2 116.6 -31.0 -7.2 4.4 613 303 B E - 0 0 97 -314,-3.5 3,-0.1 -2,-0.5 -286,-0.1 -0.390 17.5-112.2 -77.2 153.2 -28.6 -10.1 4.7 614 304 B V - 0 0 25 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 -0.430 53.3 -77.5 -76.1 157.5 -26.7 -11.0 7.9 615 305 B P > - 0 0 16 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.266 42.7-114.2 -57.5 144.5 -23.0 -10.5 7.8 616 306 B K G > S+ 0 0 140 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.839 115.0 66.4 -47.1 -38.3 -21.2 -13.3 6.0 617 307 B E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.788 102.0 47.8 -55.5 -30.2 -19.5 -14.3 9.3 618 308 B L G < S+ 0 0 0 -3,-2.4 -1,-0.3 -280,-0.0 -2,-0.2 0.109 78.1 134.2-102.6 22.7 -22.9 -15.3 10.6 619 309 B R < 0 0 174 -3,-1.9 -3,-0.0 1,-0.1 -6,-0.0 -0.483 360.0 360.0 -72.1 141.6 -24.2 -17.4 7.8 620 310 B V 0 0 134 -2,-0.2 -1,-0.1 -282,-0.0 -286,-0.0 0.095 360.0 360.0-127.4 360.0 -25.8 -20.7 8.8