==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-MAR-12 4EB3 . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.WANG,K.WANG,I.SPAN,A.BACHER,M.GROLL,E.OLDFIELD . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 68.2 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 . 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 . 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 1 0 2 2 0 4 0 0 3 1 2 1 3 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 59 0, 0.0 287,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.8 2.4 -11.2 -11.5 2 2 A Q E -a 261 0A 91 258,-2.7 260,-2.9 285,-0.2 2,-0.5 -0.714 360.0-151.7 -84.4 135.4 0.1 -10.6 -8.5 3 3 A I E -ab 262 290A 0 286,-0.6 288,-2.7 -2,-0.4 2,-0.4 -0.958 13.5-169.9-108.6 126.8 -3.7 -10.7 -9.5 4 4 A L E -ab 263 291A 2 258,-2.5 260,-2.4 -2,-0.5 2,-0.5 -0.902 8.7-150.7-115.8 144.3 -5.9 -8.5 -7.2 5 5 A L E -ab 264 292A 14 286,-2.5 288,-3.1 -2,-0.4 260,-0.2 -0.971 17.2-127.0-115.2 130.0 -9.7 -8.6 -7.2 6 6 A A - 0 0 0 258,-2.6 201,-0.1 -2,-0.5 289,-0.1 -0.306 26.8-114.4 -68.4 154.1 -11.8 -5.5 -6.3 7 7 A N S S+ 0 0 42 287,-0.2 289,-0.5 199,-0.2 2,-0.2 -0.918 92.5 22.0-147.3 123.6 -14.4 -5.6 -3.7 8 8 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.453 87.6 145.7 -74.6 163.3 -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 -0.936 38.5 23.6-149.2 165.4 -17.6 -6.1 -7.9 10 10 A G S S+ 0 0 8 256,-2.3 256,-0.1 -2,-0.3 193,-0.0 -0.199 94.5 29.8 77.3-159.1 -20.1 -7.9 -10.1 11 11 A F - 0 0 66 259,-0.5 258,-0.2 258,-0.1 2,-0.2 0.029 57.4-159.7 -51.7 133.2 -23.9 -8.2 -9.7 12 12 A C > - 0 0 20 256,-1.4 4,-2.1 1,-0.0 5,-0.2 -0.437 37.1 -99.2 -91.3 176.4 -25.9 -5.7 -7.8 13 13 A A H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 289,-0.3 0.869 120.7 54.2 -69.4 -39.6 -29.4 -6.4 -6.3 14 14 A G H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 110.5 45.9 -63.4 -43.8 -31.3 -4.8 -9.2 15 15 A V H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 110.9 52.3 -66.7 -44.7 -29.5 -7.0 -11.8 16 16 A D H X S+ 0 0 79 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 113.2 44.5 -56.8 -43.8 -29.9 -10.2 -9.9 17 17 A R H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.900 111.8 51.7 -62.5 -46.7 -33.6 -9.5 -9.6 18 18 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.903 111.9 47.2 -61.0 -44.0 -34.1 -8.5 -13.3 19 19 A I H X S+ 0 0 14 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.957 112.6 49.0 -64.7 -45.8 -32.3 -11.7 -14.5 20 20 A S H X S+ 0 0 29 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.817 106.1 58.3 -59.8 -33.7 -34.4 -13.9 -12.1 21 21 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.959 111.7 40.1 -60.2 -50.6 -37.6 -12.2 -13.4 22 22 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.908 115.9 50.8 -68.6 -41.4 -36.8 -13.2 -17.0 23 23 A E H X S+ 0 0 61 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.909 113.3 45.5 -61.6 -43.4 -35.6 -16.7 -15.9 24 24 A N H X S+ 0 0 44 -4,-2.7 4,-2.3 -5,-0.2 5,-0.3 0.836 110.5 53.3 -70.8 -30.7 -38.8 -17.4 -13.8 25 25 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 5,-0.4 0.952 109.9 47.8 -63.7 -51.4 -41.1 -16.1 -16.5 26 26 A L H X S+ 0 0 18 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.848 115.3 47.4 -56.3 -37.4 -39.5 -18.5 -19.0 27 27 A A H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.834 118.2 37.9 -72.4 -36.9 -39.9 -21.3 -16.4 28 28 A I H < S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.944 133.1 23.0 -83.3 -49.7 -43.5 -20.6 -15.5 29 29 A Y H < S- 0 0 117 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.428 100.9-130.8 -98.3 -3.7 -44.9 -19.6 -19.0 30 30 A G < - 0 0 34 -4,-1.1 -1,-0.2 -5,-0.4 -3,-0.1 0.082 49.3 -12.7 68.4 165.3 -42.4 -21.3 -21.3 31 31 A A S S+ 0 0 68 -4,-0.1 23,-0.1 -5,-0.1 22,-0.1 -0.467 98.1 53.9 -72.2 151.0 -40.7 -19.6 -24.3 32 32 A P + 0 0 68 0, 0.0 2,-0.5 0, 0.0 36,-0.4 0.549 55.7 168.0 -88.7 150.2 -40.9 -17.1 -26.0 33 33 A I E -e 54 0B 0 20,-1.3 22,-3.0 34,-0.1 2,-0.3 -0.996 27.2-140.1-118.7 124.8 -40.8 -14.2 -23.5 34 34 A Y E -ef 55 69B 36 34,-2.3 36,-2.0 -2,-0.5 2,-0.4 -0.690 16.1-167.8 -84.4 143.1 -40.3 -10.8 -25.0 35 35 A V E -ef 56 70B 0 20,-2.8 22,-3.0 -2,-0.3 2,-0.8 -0.989 18.8-134.7-131.8 126.1 -38.1 -8.4 -23.3 36 36 A R E S-ef 57 71B 37 34,-2.6 36,-1.0 -2,-0.4 22,-0.2 -0.711 78.0 -14.0 -83.9 113.6 -37.9 -4.7 -24.2 37 37 A H S S- 0 0 28 20,-3.5 20,-0.2 -2,-0.8 21,-0.1 0.227 113.3 -46.4 73.7 153.8 -34.2 -3.7 -24.5 38 38 A E - 0 0 48 1,-0.1 35,-0.1 18,-0.1 3,-0.1 -0.310 57.7-128.3 -47.3 133.2 -31.4 -5.8 -23.1 39 39 A V S S- 0 0 0 1,-0.2 34,-2.5 33,-0.2 35,-0.3 0.895 91.2 -4.9 -64.7 -39.4 -32.6 -6.8 -19.7 40 40 A V S S- 0 0 1 2,-0.2 2,-1.9 32,-0.1 -1,-0.2 -0.911 90.3 -96.6-136.1 162.4 -29.3 -5.6 -18.3 41 41 A H S S+ 0 0 9 -2,-0.3 181,-0.7 -3,-0.1 2,-0.4 -0.465 82.5 112.6 -84.5 66.9 -26.2 -4.4 -20.3 42 42 A N > - 0 0 1 -2,-1.9 4,-2.6 179,-0.1 5,-0.2 -0.928 54.5-154.3-138.5 121.9 -24.2 -7.6 -20.5 43 43 A R H > S+ 0 0 106 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.879 97.8 49.5 -56.8 -46.0 -23.6 -9.5 -23.7 44 44 A Y H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 113.0 45.2 -64.7 -44.1 -23.2 -12.9 -21.9 45 45 A V H > S+ 0 0 8 224,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.930 116.5 47.3 -60.9 -46.2 -26.4 -12.5 -19.7 46 46 A V H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.947 114.0 46.1 -64.3 -49.2 -28.4 -11.4 -22.9 47 47 A D H X S+ 0 0 75 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.921 110.3 54.6 -61.9 -42.3 -27.0 -14.2 -25.0 48 48 A S H X S+ 0 0 36 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.912 114.1 41.3 -54.7 -44.9 -27.7 -16.8 -22.2 49 49 A L H <>S+ 0 0 2 -4,-1.9 5,-2.5 2,-0.2 -1,-0.2 0.876 113.4 51.0 -73.2 -38.7 -31.3 -15.7 -22.1 50 50 A R H ><5S+ 0 0 120 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.840 107.3 54.7 -66.1 -34.2 -31.8 -15.4 -25.8 51 51 A E H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 108.2 51.3 -76.4 -23.8 -30.4 -18.9 -26.2 52 52 A R T 3<5S- 0 0 130 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.207 132.3 -89.2 -88.1 11.3 -33.1 -20.0 -23.7 53 53 A G T < 5S+ 0 0 21 -3,-1.5 -20,-1.3 1,-0.3 2,-0.3 0.513 79.9 135.3 97.9 2.2 -35.9 -18.3 -25.6 54 54 A A E < -e 33 0B 2 -5,-2.5 2,-0.5 -22,-0.2 -1,-0.3 -0.665 42.9-150.3 -69.1 142.6 -36.2 -14.7 -24.4 55 55 A I E -e 34 0B 65 -22,-3.0 -20,-2.8 -2,-0.3 2,-0.5 -0.976 4.1-149.7-118.7 123.9 -36.5 -12.4 -27.4 56 56 A F E +e 35 0B 33 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.753 23.2 170.4 -97.3 124.7 -35.1 -8.9 -27.0 57 57 A I E -e 36 0B 13 -22,-3.0 -20,-3.5 -2,-0.5 3,-0.1 -0.810 32.5-142.6-127.5 170.0 -36.8 -6.1 -28.9 58 58 A E S S+ 0 0 91 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.784 81.1 36.7-103.7 -31.1 -36.7 -2.3 -29.0 59 59 A Q S > S- 0 0 116 1,-0.1 3,-2.1 -23,-0.0 4,-0.3 -0.930 72.3-126.7-125.8 149.5 -40.3 -1.2 -29.5 60 60 A I G > S+ 0 0 1 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.827 107.5 71.3 -61.5 -32.9 -43.7 -2.6 -28.3 61 61 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.0 23,-0.0 0.676 90.5 60.3 -58.6 -15.2 -44.8 -2.6 -31.9 62 62 A E G < S+ 0 0 99 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.618 88.9 87.3 -85.9 -11.3 -42.3 -5.6 -32.4 63 63 A V S < S- 0 0 2 -3,-2.2 3,-0.1 -4,-0.3 6,-0.1 -0.758 79.2-127.7 -95.4 133.0 -44.2 -7.7 -29.8 64 64 A P > - 0 0 62 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 -0.266 32.2 -89.4 -80.0 161.0 -47.1 -9.8 -31.1 65 65 A D T 3 S+ 0 0 110 1,-0.2 24,-0.1 24,-0.1 22,-0.0 -0.362 113.1 29.2 -62.0 146.3 -50.6 -9.7 -29.5 66 66 A G T 3 S+ 0 0 56 22,-2.0 -1,-0.2 1,-0.2 23,-0.1 0.266 94.3 131.5 91.3 -13.9 -51.1 -12.2 -26.7 67 67 A A < - 0 0 16 -3,-1.2 23,-2.2 22,-0.1 2,-0.4 -0.198 59.9-120.5 -80.4 165.7 -47.4 -12.1 -25.7 68 68 A I E - g 0 90B 21 -36,-0.4 -34,-2.3 21,-0.2 2,-0.4 -0.877 32.8-167.6-100.2 134.8 -45.6 -11.7 -22.3 69 69 A L E -fg 34 91B 0 21,-3.2 23,-2.4 -2,-0.4 2,-0.4 -0.980 9.4-160.1-129.1 136.2 -43.4 -8.7 -22.2 70 70 A I E -fg 35 92B 0 -36,-2.0 -34,-2.6 -2,-0.4 2,-0.3 -0.971 15.2-137.2-117.9 134.0 -40.8 -7.7 -19.6 71 71 A F E -fg 36 93B 1 21,-1.9 23,-2.0 -2,-0.4 -34,-0.1 -0.672 33.6-108.0 -84.3 142.3 -39.5 -4.2 -19.1 72 72 A S > - 0 0 1 -36,-1.0 3,-1.9 -2,-0.3 -33,-0.2 -0.027 26.0-103.1 -67.5 167.9 -35.7 -4.0 -18.6 73 73 A A T 3 S+ 0 0 9 -34,-2.5 23,-2.3 1,-0.3 26,-0.2 0.753 117.9 67.8 -63.4 -24.0 -33.9 -3.1 -15.3 74 74 A H T 3 S- 0 0 20 -35,-0.3 -1,-0.3 21,-0.2 55,-0.1 0.658 104.5-130.6 -72.1 -19.4 -33.2 0.4 -16.8 75 75 A G < - 0 0 2 -3,-1.9 2,-0.3 54,-0.1 54,-0.2 -0.041 15.1-108.8 90.7 169.0 -37.0 1.3 -16.6 76 76 A V - 0 0 2 53,-0.2 53,-0.1 52,-0.1 2,-0.1 -0.924 24.3-101.5-140.5 158.2 -39.3 2.7 -19.2 77 77 A S > - 0 0 22 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.344 35.9-109.9 -70.6 161.5 -41.2 6.0 -19.9 78 78 A Q H > S+ 0 0 75 54,-2.1 4,-2.9 51,-0.3 5,-0.2 0.899 119.9 58.5 -53.3 -42.5 -44.9 6.4 -19.2 79 79 A A H > S+ 0 0 68 53,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.907 107.8 46.7 -59.7 -39.9 -45.5 6.5 -22.9 80 80 A V H > S+ 0 0 17 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 111.6 48.7 -64.6 -44.4 -44.0 3.0 -23.2 81 81 A R H X S+ 0 0 71 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.870 113.3 50.3 -65.2 -37.3 -45.9 1.6 -20.2 82 82 A N H X S+ 0 0 87 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.888 107.3 51.0 -65.9 -42.2 -49.1 3.1 -21.8 83 83 A E H X S+ 0 0 84 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.874 113.9 46.6 -62.1 -38.7 -48.5 1.6 -25.3 84 84 A A H <>S+ 0 0 1 -4,-2.3 5,-0.6 2,-0.2 3,-0.5 0.901 112.0 51.2 -66.7 -41.9 -48.0 -1.8 -23.6 85 85 A K H <5S+ 0 0 170 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 108.1 49.7 -64.9 -43.9 -51.1 -1.2 -21.5 86 86 A S H <5S+ 0 0 101 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.620 105.1 79.4 -68.8 -17.2 -53.3 -0.3 -24.5 87 87 A R T <5S- 0 0 63 -4,-0.6 2,-1.7 -3,-0.5 -22,-0.0 -0.481 98.6-102.1 -91.9 171.8 -52.0 -3.5 -26.2 88 88 A D T 5S+ 0 0 106 -2,-0.1 -22,-2.0 2,-0.1 2,-0.3 -0.351 77.1 129.5 -88.4 56.1 -53.1 -7.1 -25.6 89 89 A L < - 0 0 26 -2,-1.7 2,-0.6 -5,-0.6 -21,-0.2 -0.837 59.7-136.4-124.8 143.7 -50.0 -8.0 -23.4 90 90 A T E -g 68 0B 70 -23,-2.2 -21,-3.2 -2,-0.3 2,-0.4 -0.893 35.8-161.4 -90.9 123.4 -49.1 -9.5 -20.1 91 91 A V E -g 69 0B 50 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.867 19.0-176.1-113.1 133.7 -46.4 -7.2 -18.6 92 92 A F E -g 70 0B 11 -23,-2.4 -21,-1.9 -2,-0.4 2,-0.7 -0.959 22.9-139.2-118.2 141.7 -43.8 -7.9 -15.8 93 93 A D E +g 71 0B 42 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.901 23.2 177.5-108.5 114.5 -41.6 -5.0 -14.8 94 94 A A + 0 0 0 -23,-2.0 -1,-0.1 -2,-0.7 -22,-0.1 0.331 33.7 140.2 -89.4 9.6 -37.9 -5.7 -14.1 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.233 62.7-107.5 -56.4 135.5 -37.1 -2.0 -13.4 96 96 A C >> - 0 0 18 -23,-2.3 4,-2.3 1,-0.1 3,-1.6 -0.449 20.6-127.1 -62.7 133.2 -34.7 -1.8 -10.5 97 97 A P H 3> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.800 110.6 59.3 -45.3 -36.1 -36.4 -0.4 -7.4 98 98 A L H 3> S+ 0 0 44 2,-0.2 4,-0.6 1,-0.2 -2,-0.0 0.688 107.3 45.3 -73.2 -23.1 -33.7 2.2 -7.2 99 99 A V H X> S+ 0 0 6 -3,-1.6 4,-2.5 2,-0.2 3,-0.8 0.863 109.4 55.0 -79.3 -48.2 -34.6 3.5 -10.6 100 100 A T H 3X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.889 101.7 59.7 -49.0 -40.7 -38.3 3.4 -9.7 101 101 A K H 3X S+ 0 0 101 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.880 107.0 45.0 -56.4 -42.1 -37.5 5.6 -6.7 102 102 A V H XX S+ 0 0 1 -3,-0.8 4,-2.2 -4,-0.6 3,-0.6 0.937 110.3 55.9 -69.3 -40.6 -36.1 8.4 -9.0 103 103 A H H 3X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.884 103.0 54.8 -56.2 -43.0 -39.2 7.9 -11.3 104 104 A M H 3X S+ 0 0 107 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.876 108.4 49.2 -63.5 -34.7 -41.6 8.5 -8.4 105 105 A E H S+ 0 0 6 -4,-2.1 5,-2.1 2,-0.2 4,-0.3 0.920 109.7 53.7 -65.7 -40.2 -42.7 17.2 -9.7 110 110 A S H ><5S+ 0 0 7 -4,-2.6 3,-2.2 1,-0.3 -2,-0.2 0.947 107.4 50.3 -57.6 -53.6 -44.7 16.8 -12.9 111 111 A R H 3<5S+ 0 0 165 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.787 110.4 52.0 -52.4 -31.8 -48.0 16.7 -10.9 112 112 A R T 3<5S- 0 0 158 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.518 106.8-126.7 -86.1 -0.8 -46.8 19.9 -9.2 113 113 A G T < 5 + 0 0 24 -3,-2.2 2,-0.4 -4,-0.3 -3,-0.2 0.702 64.6 140.6 53.0 26.2 -46.1 21.7 -12.4 114 114 A E < - 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0 0 3 -4,-2.8 3,-2.5 -5,-0.2 -1,-0.2 -0.748 68.1-177.4-129.0 79.0 -29.9 28.0 -9.1 186 186 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.740 82.1 51.0 -59.2 -21.5 -29.6 28.7 -5.4 187 187 A K T 3 S+ 0 0 120 -29,-0.3 -26,-0.4 2,-0.1 -5,-0.1 0.362 78.9 131.0 -96.3 7.8 -33.1 27.6 -4.5 188 188 A I < - 0 0 5 -3,-2.5 2,-0.4 -7,-0.2 -26,-0.2 -0.331 46.2-148.5 -62.3 138.9 -32.9 24.2 -6.3 189 189 A V B +j 162 0C 80 -28,-2.5 -26,-1.8 310,-0.0 -1,-0.1 -0.873 28.4 147.1-108.8 145.2 -34.0 21.3 -4.2 190 190 A G - 0 0 6 -2,-0.4 310,-0.2 -28,-0.2 -26,-0.1 -0.868 51.5 -66.6-156.7-177.4 -32.6 17.7 -4.4 191 191 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.224 66.7 -88.7 -66.9 175.4 -31.8 14.6 -2.4 192 192 A R S S- 0 0 60 2,-0.1 -2,-0.0 307,-0.0 307,-0.0 0.865 111.0 -13.5 -59.9 -36.8 -29.0 15.0 0.2 193 193 A K S S- 0 0 113 1,-0.4 2,-0.2 3,-0.0 -15,-0.0 0.514 113.8 -61.6-130.8 -68.2 -26.2 14.1 -2.3 194 194 A D - 0 0 26 2,-0.2 -1,-0.4 -4,-0.1 -2,-0.1 -0.863 43.0 -94.8-164.9-168.0 -27.6 12.4 -5.5 195 195 A D + 0 0 13 -2,-0.2 2,-0.2 -29,-0.2 -93,-0.1 0.117 69.7 136.3-108.8 14.5 -29.5 9.4 -6.8 196 196 A I - 0 0 13 1,-0.1 -28,-0.2 -28,-0.1 -29,-0.2 -0.524 58.7-118.2 -57.6 128.4 -26.4 7.3 -7.6 197 197 A C > - 0 0 22 -30,-1.8 4,-2.5 -2,-0.2 5,-0.2 -0.189 14.5-110.0 -78.3 167.6 -27.2 3.9 -6.2 198 198 A Y H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.858 117.3 54.1 -59.7 -36.5 -25.3 2.1 -3.4 199 199 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 109.6 46.6 -71.5 -39.7 -23.8 -0.5 -5.9 200 200 A T H > S+ 0 0 6 -33,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.942 114.7 47.1 -69.2 -44.9 -22.3 2.3 -8.2 201 201 A T H X S+ 0 0 51 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.942 114.6 46.6 -59.6 -48.3 -20.9 4.2 -5.3 202 202 A N H X S+ 0 0 15 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.849 111.4 49.7 -68.7 -37.6 -19.3 1.0 -3.7 203 203 A R H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.832 112.1 49.4 -72.8 -34.0 -17.8 -0.3 -7.0 204 204 A Q H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.941 111.8 47.6 -61.6 -50.8 -16.2 3.1 -7.7 205 205 A E H X S+ 0 0 78 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.929 114.2 49.1 -54.8 -44.1 -14.8 3.2 -4.1 206 206 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.886 110.0 48.2 -64.6 -37.8 -13.5 -0.4 -4.7 207 207 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.892 107.2 57.5 -76.6 -31.8 -11.9 0.3 -8.0 208 208 A R H X S+ 0 0 77 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.937 110.2 44.0 -55.1 -45.7 -10.2 3.4 -6.5 209 209 A A H X S+ 0 0 47 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.929 114.6 50.4 -68.6 -34.4 -8.6 1.1 -3.8 210 210 A L H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-1.4 0.936 108.0 51.1 -67.3 -48.5 -7.7 -1.4 -6.5 211 211 A A H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.744 99.9 66.1 -64.8 -25.6 -6.1 1.2 -8.8 212 212 A E H 3< S+ 0 0 135 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.847 115.5 28.2 -62.8 -29.5 -4.0 2.3 -5.8 213 213 A Q H << S+ 0 0 105 -3,-1.4 2,-0.3 -4,-0.8 -2,-0.2 0.761 111.2 70.3-102.7 -27.3 -2.3 -1.0 -5.8 214 214 A A < - 0 0 0 -4,-2.3 48,-0.2 1,-0.1 3,-0.1 -0.641 56.1-154.9-101.9 148.2 -2.4 -2.2 -9.4 215 215 A E S S+ 0 0 82 46,-2.3 26,-1.3 -2,-0.3 2,-0.4 0.759 89.0 31.5 -84.4 -32.8 -0.6 -1.0 -12.5 216 216 A V E S-cd 241 262A 5 45,-1.2 47,-3.3 24,-0.2 2,-0.5 -0.991 70.4-159.9-126.6 141.3 -3.2 -2.3 -14.9 217 217 A V E -cd 242 263A 0 24,-2.5 26,-2.4 -2,-0.4 2,-0.5 -0.962 1.0-163.4-119.9 127.0 -7.0 -2.6 -14.3 218 218 A L E -cd 243 264A 0 45,-3.2 47,-2.4 -2,-0.5 2,-0.6 -0.895 8.0-160.6-105.0 130.5 -9.3 -4.9 -16.3 219 219 A V E -cd 244 265A 0 24,-3.3 26,-2.5 -2,-0.5 2,-0.7 -0.934 10.9-143.9-111.0 113.1 -13.0 -4.1 -15.9 220 220 A V E +cd 245 266A 0 45,-2.9 47,-2.5 -2,-0.6 2,-0.3 -0.673 54.8 102.7 -78.6 118.3 -15.3 -7.0 -16.9 221 221 A G - 0 0 1 24,-2.7 -179,-0.1 -2,-0.7 2,-0.1 -0.897 68.9 -89.2 175.5 153.9 -18.4 -5.4 -18.5 222 222 A S > - 0 0 4 -181,-0.7 3,-2.1 -2,-0.3 7,-0.2 -0.367 38.6-111.1 -75.0 158.6 -20.0 -4.7 -21.9 223 223 A K T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.798 118.0 50.6 -59.7 -33.6 -19.4 -1.6 -24.1 224 224 A N T 3 S+ 0 0 70 4,-0.0 2,-0.9 5,-0.0 -1,-0.3 0.181 81.7 111.6 -91.3 11.1 -22.9 -0.3 -23.5 225 225 A S <> - 0 0 0 -3,-2.1 4,-2.1 1,-0.2 5,-0.2 -0.812 50.0-166.2 -86.7 106.7 -22.7 -0.7 -19.6 226 226 A S H > S+ 0 0 10 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.942 86.0 48.0 -55.2 -50.7 -22.7 2.8 -18.3 227 227 A N H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 110.6 52.2 -62.4 -38.5 -21.6 1.8 -14.8 228 228 A S H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.930 106.2 53.7 -62.8 -40.6 -18.7 -0.4 -16.1 229 229 A N H X S+ 0 0 58 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.876 104.7 55.9 -60.3 -37.9 -17.4 2.5 -18.3 230 230 A R H X S+ 0 0 35 -4,-1.9 4,-2.0 -62,-0.2 -1,-0.2 0.845 104.9 53.2 -63.3 -35.0 -17.2 4.7 -15.1 231 231 A L H X S+ 0 0 2 -4,-1.5 4,-1.8 -3,-0.4 -1,-0.2 0.923 111.2 44.3 -64.8 -45.6 -15.0 2.0 -13.4 232 232 A A H X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.929 113.5 51.4 -65.8 -44.3 -12.5 2.0 -16.2 233 233 A E H X S+ 0 0 40 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.901 106.1 54.5 -56.0 -48.2 -12.5 5.8 -16.5 234 234 A L H X S+ 0 0 18 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.930 110.8 45.1 -52.6 -53.3 -11.9 6.1 -12.8 235 235 A A H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 -1,-0.2 0.886 112.4 52.2 -58.1 -43.0 -8.8 3.9 -13.0 236 236 A Q H ><5S+ 0 0 102 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.916 105.5 54.3 -62.2 -45.7 -7.5 5.7 -16.1 237 237 A R H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 102.3 57.2 -61.1 -26.8 -7.8 9.1 -14.4 238 238 A M T 3<5S- 0 0 67 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.397 126.8-105.8 -81.9 5.3 -5.6 7.7 -11.6 239 239 A G T < 5S+ 0 0 64 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.649 78.9 129.4 84.2 21.5 -3.1 7.1 -14.4 240 240 A K < - 0 0 57 -5,-2.2 -1,-0.3 -24,-0.0 2,-0.3 -0.751 66.8-110.5-101.3 147.6 -3.4 3.3 -14.6 241 241 A R E -c 216 0A 108 -26,-1.3 -24,-2.5 -2,-0.3 2,-0.4 -0.648 45.4-174.1 -69.7 136.4 -4.0 1.6 -18.0 242 242 A A E -c 217 0A 6 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.999 11.5-166.1-140.1 137.3 -7.6 0.3 -17.8 243 243 A F E -c 218 0A 42 -26,-2.4 -24,-3.3 -2,-0.4 2,-0.5 -0.977 15.6-144.7-127.2 136.8 -9.5 -1.9 -20.2 244 244 A L E +c 219 0A 23 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.846 32.6 175.0 -95.7 124.8 -13.2 -2.7 -20.5 245 245 A I E -c 220 0A 2 -26,-2.5 -24,-2.7 -2,-0.5 3,-0.1 -0.969 35.2-152.8-138.7 144.2 -13.5 -6.4 -21.7 246 246 A D S S- 0 0 11 -2,-0.3 2,-0.3 1,-0.3 -202,-0.1 0.826 80.4 -14.3 -81.7 -38.9 -16.5 -8.7 -22.2 247 247 A D S > S- 0 0 39 -26,-0.1 3,-2.2 30,-0.1 4,-0.3 -0.959 78.9 -79.7-155.7 179.9 -14.5 -11.8 -21.6 248 248 A A G > S+ 0 0 18 1,-0.3 3,-1.6 -2,-0.3 -1,-0.0 0.786 115.6 68.5 -56.6 -32.5 -11.1 -13.5 -21.3 249 249 A K G 3 S+ 0 0 190 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.713 91.9 62.5 -60.1 -21.3 -10.6 -13.6 -25.1 250 250 A D G < S+ 0 0 53 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.625 76.1 109.5 -79.7 -16.8 -10.3 -9.8 -25.2 251 251 A I < - 0 0 11 -3,-1.6 2,-0.5 -4,-0.3 3,-0.0 -0.485 59.3-151.4 -67.0 121.1 -7.2 -9.7 -23.1 252 252 A Q > - 0 0 115 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 -0.854 13.8-135.2 -92.8 131.2 -4.2 -8.7 -25.2 253 253 A E G >> S+ 0 0 112 -2,-0.5 3,-1.5 1,-0.3 4,-1.1 0.844 103.0 62.1 -52.3 -40.9 -0.9 -10.1 -24.0 254 254 A E G 34 S+ 0 0 110 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.836 92.0 68.4 -55.5 -33.1 0.9 -6.7 -24.4 255 255 A W G <4 S+ 0 0 25 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.774 114.1 25.4 -60.5 -24.5 -1.5 -5.3 -21.8 256 256 A V T X4 S+ 0 0 7 -3,-1.5 3,-1.8 -4,-0.4 -1,-0.2 0.413 84.0 129.9-125.1 -1.4 0.1 -7.3 -19.0 257 257 A K T 3< S- 0 0 136 -4,-1.1 3,-0.1 -3,-0.3 -3,-0.0 -0.381 89.5 -1.6 -51.0 124.8 3.7 -8.0 -20.3 258 258 A E T 3 S+ 0 0 175 1,-0.3 2,-0.5 -2,-0.1 -1,-0.3 0.679 96.2 142.8 64.0 18.4 6.2 -7.1 -17.5 259 259 A V < - 0 0 19 -3,-1.8 -1,-0.3 1,-0.1 3,-0.2 -0.791 36.2-166.3 -87.4 131.7 3.3 -6.0 -15.2 260 260 A K S S+ 0 0 170 -2,-0.5 -258,-2.7 1,-0.3 2,-0.4 0.732 75.4 27.8 -89.8 -24.2 3.9 -6.9 -11.6 261 261 A C E -a 2 0A 11 -260,-0.2 -46,-2.3 26,-0.0 -45,-1.2 -0.947 63.7-177.5-142.2 117.2 0.3 -6.2 -10.3 262 262 A V E -ad 3 216A 0 -260,-2.9 -258,-2.5 -2,-0.4 2,-0.3 -0.951 12.9-152.1-112.2 136.5 -2.9 -6.5 -12.3 263 263 A G E -ad 4 217A 0 -47,-3.3 -45,-3.2 -2,-0.4 2,-0.4 -0.827 6.5-163.4-103.9 144.5 -6.3 -5.6 -10.8 264 264 A V E +ad 5 218A 0 -260,-2.4 -258,-2.6 -2,-0.3 2,-0.3 -0.993 15.7 160.8-126.5 133.8 -9.7 -7.2 -12.0 265 265 A T E - 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