==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-OCT-05 2B7S . COMPND 2 MOLECULE: FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; . AUTHOR K.L.PANKHURST,C.G.MOWAT,E.L.ROTHERY,C.S.MILES, . 568 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 2 2 2 2 3 1 2 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 4 2 0 0 3 1 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 . 0 2 1 0 1 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 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 A 0 0 62 0, 0.0 93,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 141.5 26.5 69.2 52.2 2 2 A D + 0 0 116 1,-0.1 2,-0.3 92,-0.0 75,-0.1 0.493 360.0 20.7 -91.5 -11.3 23.7 66.7 52.5 3 3 A N S > S- 0 0 32 73,-0.1 4,-1.7 1,-0.1 72,-0.1 -0.973 81.3-105.2-154.7 164.6 26.0 63.8 51.7 4 4 A L H > S+ 0 0 39 69,-0.4 4,-1.8 -2,-0.3 71,-0.2 0.803 116.0 51.8 -63.7 -37.2 29.6 62.7 51.7 5 5 A A H > S+ 0 0 11 69,-2.8 4,-2.9 2,-0.2 5,-0.2 0.962 107.5 52.9 -66.3 -49.6 30.1 62.8 47.9 6 6 A E H > S+ 0 0 81 68,-0.4 4,-0.7 1,-0.2 -2,-0.2 0.889 108.5 52.4 -48.4 -45.3 28.7 66.4 47.8 7 7 A F H >< S+ 0 0 100 -4,-1.7 3,-0.6 1,-0.2 4,-0.2 0.919 113.5 41.8 -56.7 -49.9 31.3 67.4 50.5 8 8 A H H >X S+ 0 0 37 -4,-1.8 3,-1.9 1,-0.2 4,-1.1 0.866 105.1 62.4 -69.5 -39.3 34.2 65.9 48.5 9 9 A V H 3< S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.624 84.6 78.2 -69.1 -9.3 33.2 67.2 45.0 10 10 A Q T << S+ 0 0 123 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.834 121.5 7.1 -57.8 -30.2 33.5 70.8 46.4 11 11 A N T <4 S+ 0 0 144 -3,-1.9 2,-0.3 -4,-0.2 -2,-0.2 0.299 125.2 67.2-134.3 -0.6 37.3 70.2 45.9 12 12 A Q S < S- 0 0 65 -4,-1.1 2,-0.1 -5,-0.1 -1,-0.1 -0.953 70.1-121.6-134.1 149.1 37.6 66.9 44.1 13 13 A E > - 0 0 145 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.454 35.7-107.2 -78.9 160.0 36.8 65.3 40.8 14 14 A C G >> S+ 0 0 94 1,-0.3 4,-2.0 2,-0.2 3,-1.8 0.878 118.1 60.4 -49.0 -44.8 34.5 62.2 40.4 15 15 A D G 34 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.2 6,-0.0 0.296 78.8 83.0 -77.4 6.0 37.5 60.1 39.6 16 16 A S G <4 S+ 0 0 38 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.716 117.1 14.9 -69.4 -26.0 39.1 60.8 43.0 17 17 A C T <4 S+ 0 0 46 -3,-1.8 18,-0.3 -4,-0.3 -2,-0.2 0.685 122.8 68.6-112.2 -32.6 36.8 58.0 44.1 18 18 A H S < S- 0 0 43 -4,-2.0 6,-0.1 1,-0.1 5,-0.1 -0.449 80.6-106.7 -94.1 159.9 35.7 56.3 40.9 19 19 A T > - 0 0 18 4,-0.5 3,-1.2 -2,-0.1 -1,-0.1 -0.277 51.6 -91.3 -66.5 166.4 37.3 54.2 38.2 20 20 A P T 3 S+ 0 0 124 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.858 127.9 41.4 -50.4 -41.7 37.9 56.0 34.8 21 21 A D T 3 S- 0 0 119 2,-0.1 3,-0.1 1,-0.0 -6,-0.0 0.509 110.9-120.4 -87.6 -8.3 34.5 54.9 33.3 22 22 A G < + 0 0 36 -3,-1.2 2,-0.1 1,-0.3 3,-0.1 0.266 65.3 137.8 88.6 -10.7 32.7 55.6 36.5 23 23 A E - 0 0 66 1,-0.1 -4,-0.5 -5,-0.1 -1,-0.3 -0.412 63.9-102.0 -71.6 143.3 31.3 52.1 37.0 24 24 A L - 0 0 52 1,-0.1 -1,-0.1 274,-0.1 3,-0.1 -0.456 27.5-135.5 -63.1 128.6 31.4 50.5 40.4 25 25 A S - 0 0 39 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.884 66.5 -47.1 -58.4 -44.1 34.3 48.1 40.6 26 26 A N > - 0 0 57 -3,-0.0 3,-1.5 1,-0.0 -1,-0.2 -0.939 67.2 -74.6-173.1 178.4 32.4 45.2 42.3 27 27 A D T 3 S+ 0 0 8 -2,-0.3 270,-0.1 1,-0.3 246,-0.1 0.712 127.5 56.1 -68.5 -19.4 30.0 44.6 45.2 28 28 A S T 3 S- 0 0 21 244,-0.1 -1,-0.3 268,-0.0 41,-0.2 0.436 102.5-133.7 -82.9 -4.2 32.8 45.0 47.8 29 29 A L <> + 0 0 10 -3,-1.5 4,-2.8 245,-0.1 5,-0.3 0.881 44.9 164.2 48.4 42.5 33.6 48.5 46.4 30 30 A T H > + 0 0 73 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.929 68.5 43.0 -52.9 -54.5 37.2 47.4 46.5 31 31 A Y H > S+ 0 0 83 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 115.4 49.0 -61.3 -43.8 38.5 50.2 44.2 32 32 A E H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.928 111.7 48.0 -67.2 -46.2 36.4 52.9 45.8 33 33 A N H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.872 105.7 59.9 -58.7 -37.8 37.5 51.9 49.4 34 34 A T H X S+ 0 0 77 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.883 104.0 51.4 -57.9 -37.2 41.1 51.9 48.2 35 35 A Q H X S+ 0 0 39 -4,-1.5 4,-1.3 -3,-0.3 5,-0.2 0.909 105.9 52.8 -68.1 -44.8 40.7 55.6 47.3 36 36 A C H >X S+ 0 0 37 -4,-1.8 4,-2.9 1,-0.2 3,-0.8 0.968 113.1 46.0 -48.3 -55.5 39.3 56.5 50.8 37 37 A V H 3X S+ 0 0 52 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.807 102.3 64.1 -60.3 -33.4 42.4 54.8 52.2 38 38 A S H 3< S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.868 119.0 25.7 -63.0 -31.5 44.8 56.6 49.7 39 39 A C H << S+ 0 0 100 -4,-1.3 -2,-0.2 -3,-0.8 -1,-0.2 0.796 133.8 31.2 -99.4 -36.5 43.8 59.9 51.3 40 40 A H H < S- 0 0 115 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.585 103.0-123.3 -99.0 -14.9 42.7 59.1 54.9 41 41 A G < - 0 0 12 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.1 -0.273 45.5 -42.1 92.7 174.1 44.9 56.1 55.6 42 42 A T > - 0 0 62 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.128 63.8 -96.7 -67.5 169.8 43.9 52.7 56.8 43 43 A L H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.912 129.0 52.3 -53.9 -45.1 41.2 52.0 59.3 44 44 A A H > S+ 0 0 67 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.867 109.8 48.8 -58.9 -38.1 43.9 51.7 62.0 45 45 A E H 4 S+ 0 0 116 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.907 111.9 47.8 -72.3 -41.8 45.4 55.1 60.9 46 46 A V H >< S+ 0 0 31 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.869 102.9 64.1 -61.3 -38.8 41.9 56.8 61.0 47 47 A A H >< S+ 0 0 3 -4,-2.4 3,-1.5 11,-0.3 -1,-0.2 0.823 89.7 67.0 -56.9 -34.2 41.4 55.2 64.5 48 48 A E T 3< S+ 0 0 125 -4,-0.9 3,-0.4 -3,-0.4 -1,-0.3 0.801 104.6 45.2 -54.3 -28.7 44.3 57.3 65.8 49 49 A T T < S+ 0 0 114 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.394 111.7 50.4 -97.4 -3.3 42.2 60.4 65.2 50 50 A T S < S+ 0 0 38 -3,-1.5 7,-0.4 -4,-0.3 -1,-0.2 0.037 73.3 147.1-128.0 31.2 38.9 59.2 66.7 51 51 A K + 0 0 136 -3,-0.4 2,-0.3 5,-0.1 5,-0.2 -0.448 19.8 179.4 -71.6 134.2 39.8 57.8 70.1 52 52 A H - 0 0 89 3,-1.6 3,-0.4 -2,-0.2 -2,-0.1 -0.878 44.4-105.7-115.9 161.2 37.5 58.0 73.0 53 53 A E S S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.909 113.9 18.6 -52.0 -46.6 38.6 56.5 76.4 54 54 A H S S+ 0 0 114 1,-0.1 2,-0.3 384,-0.1 -1,-0.2 0.338 127.6 23.6-113.0 6.4 36.4 53.4 76.1 55 55 A Y - 0 0 54 -3,-0.4 -3,-1.6 5,-0.0 2,-0.3 -0.980 48.8-165.9-164.5 164.3 35.4 53.0 72.4 56 56 A N > - 0 0 24 -2,-0.3 3,-1.8 3,-0.2 -5,-0.1 -0.811 20.0-145.6-166.3 115.2 36.5 53.9 68.9 57 57 A A T 3 S+ 0 0 37 -7,-0.4 3,-0.1 1,-0.3 25,-0.1 0.736 104.8 44.1 -51.3 -30.6 34.3 53.7 65.7 58 58 A H T 3 S+ 0 0 38 1,-0.2 -11,-0.3 -8,-0.2 2,-0.3 0.265 111.5 51.7-105.6 3.5 37.5 52.7 63.8 59 59 A A S < S+ 0 0 58 -3,-1.8 -3,-0.2 -9,-0.1 -1,-0.2 -0.750 75.5 142.4-142.8 93.7 39.1 50.3 66.1 60 60 A S - 0 0 61 -2,-0.3 -3,-0.1 2,-0.2 -5,-0.0 -0.561 66.0 -93.9-123.6-177.0 36.7 47.5 67.2 61 61 A H S S+ 0 0 98 -2,-0.2 -1,-0.0 2,-0.0 0, 0.0 0.479 84.2 119.2 -77.8 -4.7 36.5 43.8 68.0 62 62 A F - 0 0 42 1,-0.1 -2,-0.2 105,-0.0 4,-0.2 -0.513 58.3-140.3 -63.2 127.5 35.4 43.2 64.4 63 63 A P + 0 0 6 0, 0.0 98,-0.3 0, 0.0 2,-0.1 -0.355 59.3 31.6 -80.3 164.8 37.9 40.9 62.5 64 64 A G S S- 0 0 17 -2,-0.1 2,-0.8 96,-0.1 195,-0.1 -0.317 108.5 -46.8 86.7-170.3 39.1 41.3 58.9 65 65 A E - 0 0 102 -2,-0.1 2,-0.6 -22,-0.0 -1,-0.1 -0.883 58.0-147.8-103.2 104.3 39.5 44.5 57.0 66 66 A V - 0 0 32 -2,-0.8 2,-0.1 -4,-0.2 -23,-0.1 -0.639 17.9-128.7 -79.7 115.8 36.3 46.5 57.6 67 67 A A > - 0 0 31 -2,-0.6 3,-2.0 92,-0.5 4,-0.3 -0.430 7.6-129.2 -65.4 138.6 35.5 48.6 54.5 68 68 A C G >> S+ 0 0 36 1,-0.3 4,-2.9 2,-0.2 3,-1.7 0.836 107.9 62.1 -49.1 -42.1 34.9 52.4 54.9 69 69 A T G 34 S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.517 80.2 83.3 -71.9 -6.4 31.7 52.0 52.9 70 70 A S G <4 S+ 0 0 14 -3,-2.0 -1,-0.3 89,-0.1 -2,-0.2 0.796 120.2 4.7 -60.3 -30.4 30.3 49.6 55.6 71 71 A C T <4 S+ 0 0 27 -3,-1.7 2,-0.8 -4,-0.3 -2,-0.2 0.620 126.0 66.2-125.1 -34.9 29.3 52.8 57.4 72 72 A H < - 0 0 50 -4,-2.9 -1,-0.2 -5,-0.1 2,-0.2 -0.836 59.8-177.1 -97.4 100.0 30.2 55.8 55.0 73 73 A S - 0 0 30 -2,-0.8 -69,-0.4 3,-0.2 5,-0.1 -0.520 17.8-145.1 -79.5 162.0 28.0 55.8 51.8 74 74 A A S S+ 0 0 42 -2,-0.2 -69,-2.8 -70,-0.1 -68,-0.4 0.907 86.9 32.8 -92.9 -53.5 28.9 58.6 49.3 75 75 A H S S+ 0 0 126 -71,-0.2 2,-0.3 -72,-0.1 -1,-0.1 0.358 122.6 29.4 -98.8 5.8 25.6 59.7 47.6 76 76 A E S S- 0 0 128 18,-0.0 -72,-0.3 0, 0.0 -3,-0.2 -0.966 92.8 -84.5-152.8 157.4 23.2 59.2 50.6 77 77 A K - 0 0 87 -2,-0.3 2,-0.3 -75,-0.1 18,-0.2 -0.300 51.5-157.7 -57.4 152.1 23.3 59.4 54.4 78 78 A S B -a 95 0A 7 16,-2.0 18,-1.9 15,-0.2 2,-0.3 -0.861 11.6-109.6-140.3 165.6 24.4 56.1 56.0 79 79 A M - 0 0 50 -2,-0.3 2,-0.6 16,-0.2 18,-0.1 -0.747 23.6-121.5-102.6 144.8 24.2 54.1 59.2 80 80 A V > - 0 0 10 16,-0.5 3,-2.2 -2,-0.3 4,-0.2 -0.754 21.4-146.3 -79.0 119.3 26.9 53.3 61.8 81 81 A Y G > S+ 0 0 8 -2,-0.6 3,-2.2 1,-0.3 -1,-0.2 0.841 96.0 65.8 -62.2 -33.5 27.0 49.5 61.9 82 82 A C G >> S+ 0 0 26 1,-0.3 4,-2.1 2,-0.2 3,-1.4 0.691 85.2 73.3 -58.7 -25.3 27.9 49.6 65.6 83 83 A D G <4 S+ 0 0 55 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.623 76.7 78.0 -64.5 -16.7 24.4 51.1 66.2 84 84 A S G <4 S+ 0 0 17 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.619 119.9 5.8 -68.4 -12.8 22.8 47.6 65.6 85 85 A C T <4 S+ 0 0 52 -3,-1.4 2,-0.3 1,-0.2 -2,-0.2 0.482 127.7 48.8-137.7 -21.4 23.9 46.6 69.1 86 86 A H < - 0 0 29 -4,-2.1 -1,-0.2 2,-0.0 287,-0.1 -0.835 55.5-149.5-123.4 163.4 25.4 49.6 70.9 87 87 A S + 0 0 124 -2,-0.3 2,-0.1 285,-0.1 -4,-0.1 -0.514 33.8 165.1-129.8 61.8 24.5 53.2 71.5 88 88 A F - 0 0 55 1,-0.1 2,-1.5 -6,-0.1 -2,-0.0 -0.425 51.6 -99.3 -73.4 156.1 27.8 55.0 71.7 89 89 A D + 0 0 130 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.612 60.9 167.3 -78.5 90.3 28.0 58.7 71.5 90 90 A F - 0 0 44 -2,-1.5 -10,-0.0 2,-0.0 0, 0.0 -0.758 32.0-168.3-106.9 152.4 29.0 59.0 67.8 91 91 A N + 0 0 159 -2,-0.3 -2,-0.1 2,-0.0 3,-0.0 -0.448 21.4 170.5-133.4 61.0 29.1 62.1 65.5 92 92 A M > - 0 0 27 1,-0.1 3,-1.2 4,-0.0 -12,-0.1 -0.568 40.2-112.5 -72.1 128.2 29.6 60.5 62.1 93 93 A P T 3 S+ 0 0 74 0, 0.0 -15,-0.2 0, 0.0 -89,-0.1 -0.419 99.1 11.7 -57.8 140.0 29.1 63.0 59.3 94 94 A Y T 3 S+ 0 0 44 1,-0.2 -16,-2.0 -93,-0.1 -21,-0.2 0.721 93.6 162.1 66.4 28.6 26.0 62.3 57.1 95 95 A A B < -a 78 0A 43 -3,-1.2 2,-0.3 -18,-0.2 -16,-0.2 -0.431 22.3-168.9 -78.3 149.4 24.7 59.7 59.6 96 96 A K - 0 0 96 -18,-1.9 -16,-0.5 -2,-0.1 3,-0.1 -0.923 39.4 -81.2-130.3 159.9 21.1 58.4 59.8 97 97 A K - 0 0 185 -2,-0.3 2,-0.2 1,-0.1 -18,-0.1 -0.282 54.6 -97.0 -61.4 141.9 19.6 56.3 62.5 98 98 A W + 0 0 47 -18,-0.1 2,-0.3 -15,-0.1 -1,-0.1 -0.444 53.7 163.6 -62.5 122.6 20.3 52.6 62.3 99 99 A L - 0 0 128 -2,-0.2 2,-0.7 -3,-0.1 -20,-0.1 -0.950 23.4-160.2-141.2 126.9 17.4 50.7 60.7 100 100 A R + 0 0 73 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.917 24.8 154.8-103.6 112.5 17.5 47.2 59.3 101 101 A D + 0 0 138 -2,-0.7 -1,-0.0 2,-0.0 -2,-0.0 -0.598 14.6 170.1-130.8 72.8 14.7 46.5 56.7 102 102 A E - 0 0 52 -2,-0.2 -2,-0.0 1,-0.1 2,-0.0 -0.720 36.4-115.1 -88.3 129.6 16.0 43.8 54.5 103 103 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.318 30.1-120.4 -58.6 139.7 13.5 42.2 52.1 104 104 A T > - 0 0 60 1,-0.1 4,-1.9 243,-0.0 3,-0.1 -0.375 27.9-104.6 -71.3 164.7 12.7 38.5 52.7 105 105 A I T 4 S+ 0 0 6 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.926 123.9 53.5 -54.7 -43.5 13.4 36.0 50.0 106 106 A A T >4 S+ 0 0 70 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.878 105.4 52.0 -58.7 -43.0 9.7 35.8 49.3 107 107 A E G >4 S+ 0 0 105 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.876 99.4 65.6 -62.4 -38.1 9.4 39.7 48.9 108 108 A L G >< S+ 0 0 8 -4,-1.9 3,-1.7 1,-0.3 -1,-0.3 0.588 78.3 82.2 -62.9 -12.5 12.3 39.4 46.3 109 109 A A G X S+ 0 0 50 -3,-1.3 3,-0.7 -4,-0.4 -1,-0.3 0.713 78.0 72.1 -58.4 -21.7 9.9 37.4 44.1 110 110 A K G < S+ 0 0 157 -3,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.571 81.3 71.3 -71.1 -11.7 8.6 40.9 43.1 111 111 A D G <> + 0 0 37 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 -0.054 61.5 133.1 -88.4 32.1 11.9 41.4 41.2 112 112 A K H <> + 0 0 86 -3,-0.7 4,-3.1 1,-0.2 5,-0.3 0.927 66.9 49.8 -52.2 -51.5 10.8 38.9 38.5 113 113 A S H > S+ 0 0 89 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.929 115.3 42.7 -50.8 -54.3 11.8 41.0 35.5 114 114 A E H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 116.3 49.5 -60.7 -36.3 15.3 41.7 36.8 115 115 A R H X S+ 0 0 20 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.916 110.4 48.6 -73.3 -44.1 15.7 38.1 37.9 116 116 A Q H X S+ 0 0 112 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.921 111.0 51.6 -60.7 -44.3 14.6 36.6 34.6 117 117 A A H X S+ 0 0 58 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.920 111.1 48.4 -57.1 -44.0 16.9 39.0 32.8 118 118 A A H >< S+ 0 0 10 -4,-1.8 3,-0.9 1,-0.2 185,-0.3 0.934 112.2 47.2 -63.0 -46.4 19.8 37.8 35.0 119 119 A L H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.773 107.5 57.4 -69.9 -26.2 19.0 34.1 34.5 120 120 A A H 3< S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.707 99.3 78.9 -73.3 -22.4 18.7 34.7 30.7 121 121 A S S << S- 0 0 71 -4,-0.9 3,-0.1 -3,-0.9 -3,-0.0 -0.311 97.7 -84.6 -79.1 165.9 22.4 36.0 30.7 122 122 A A - 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0 0 0 69,-1.0 3,-0.3 -2,-0.1 2,-0.3 -0.945 29.9-126.1-169.8 155.2 36.9 19.4 71.8 175 175 A A S S+ 0 0 2 38,-0.4 42,-0.6 -2,-0.3 41,-0.1 -0.962 74.9 5.0-158.5 142.2 38.4 16.2 73.3 176 176 A W S S+ 0 0 87 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.209 79.8 163.8-109.5 106.4 41.0 14.9 73.9 177 177 A T > - 0 0 0 -3,-0.3 4,-2.5 1,-0.1 -1,-0.1 -0.405 50.9-123.6 -90.9 160.0 43.3 17.6 72.8 178 178 A D H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.816 116.6 60.1 -53.9 -35.8 47.0 18.2 73.3 179 179 A Q H > S+ 0 0 20 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.922 106.8 43.6 -63.9 -43.2 45.8 21.6 74.7 180 180 A Q H >4>S+ 0 0 0 2,-0.2 5,-2.5 1,-0.2 3,-1.0 0.931 112.7 53.0 -59.9 -49.4 43.8 19.7 77.4 181 181 A K H ><5S+ 0 0 101 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.898 105.5 53.8 -56.1 -45.3 46.7 17.4 78.1 182 182 A A H 3<5S+ 0 0 83 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.711 110.8 47.8 -58.5 -26.5 49.1 20.4 78.5 183 183 A K T <<5S- 0 0 106 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.259 119.9-108.6 -97.8 10.1 46.6 21.7 81.2 184 184 A K T < 5 + 0 0 120 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.849 69.3 148.2 65.2 34.2 46.3 18.3 83.0 185 185 A I < - 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0 0 3 -3,-0.5 -26,-0.3 84,-0.1 2,-0.3 -0.929 55.3-163.5-145.4 166.9 16.9 40.1 86.2 417 417 A A E - P 0 499E 0 82,-2.1 82,-2.9 -2,-0.3 2,-0.4 -0.786 20.5-111.4-142.0 179.8 19.8 39.0 88.3 418 418 A Y E -OP 388 498E 6 -30,-2.6 -30,-2.7 -2,-0.3 2,-0.4 -0.993 10.8-139.1-128.0 126.9 23.4 40.0 89.0 419 419 A L E -OP 387 497E 0 78,-2.4 78,-1.8 -2,-0.4 2,-0.4 -0.680 28.7-161.7 -68.1 130.8 26.6 38.2 88.2 420 420 A I E +OP 386 496E 0 -34,-2.7 -34,-2.4 -2,-0.4 2,-0.3 -0.993 22.6 142.5-124.0 128.7 28.8 38.7 91.2 421 421 A F E - P 0 495E 0 74,-2.0 74,-3.0 -2,-0.4 2,-0.2 -0.930 31.6-135.8-155.9 176.6 32.6 38.2 91.1 422 422 A D E > - P 0 494E 0 -2,-0.3 4,-2.1 72,-0.2 72,-0.2 -0.526 44.6 -80.3-124.8-172.6 36.0 39.5 92.4 423 423 A D H > S+ 0 0 19 68,-2.3 4,-3.0 70,-0.8 5,-0.2 0.785 122.2 60.5 -68.7 -28.1 39.5 40.3 91.0 424 424 A S H > S+ 0 0 20 67,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.938 110.1 41.4 -66.9 -44.8 40.6 36.6 91.0 425 425 A V H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.940 115.1 53.4 -59.1 -48.1 37.8 35.7 88.6 426 426 A R H >< S+ 0 0 59 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.936 109.3 46.5 -55.8 -48.8 38.5 38.9 86.6 427 427 A K H 3< S+ 0 0 129 -4,-3.0 -1,-0.2 1,-0.2 3,-0.2 0.772 106.7 60.4 -67.1 -24.7 42.2 38.1 86.2 428 428 A S H 3< S+ 0 0 25 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.2 0.627 112.1 36.3 -75.8 -15.9 41.4 34.5 85.1 429 429 A L X< - 0 0 2 -3,-1.2 3,-2.4 -4,-0.8 4,-0.4 -0.792 63.1-166.2-142.9 94.2 39.3 35.6 82.0 430 430 A S T > S+ 0 0 42 -181,-3.2 3,-1.4 -2,-0.3 4,-0.5 0.730 84.5 76.4 -56.6 -22.0 40.5 38.7 80.1 431 431 A K T >> S+ 0 0 43 -181,-1.5 3,-1.9 1,-0.3 4,-0.9 0.858 83.6 67.3 -57.8 -30.5 37.1 38.8 78.4 432 432 A I H <> S+ 0 0 0 -3,-2.4 4,-1.8 1,-0.3 3,-0.5 0.835 89.2 63.2 -59.5 -31.7 35.7 40.3 81.6 433 433 A D H <> S+ 0 0 65 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.3 0.743 95.5 61.0 -64.0 -23.7 37.8 43.4 81.0 434 434 A K H <> S+ 0 0 144 -3,-1.9 4,-1.9 -4,-0.5 -1,-0.2 0.869 104.0 47.6 -69.8 -38.5 35.7 44.0 77.9 435 435 A Y H X>S+ 0 0 14 -4,-0.9 5,-2.1 -3,-0.5 4,-0.8 0.878 111.6 50.5 -66.8 -38.7 32.5 44.2 80.1 436 436 A I H ><5S+ 0 0 56 -4,-1.8 3,-1.0 1,-0.2 5,-0.3 0.942 110.4 49.5 -64.9 -47.4 34.3 46.6 82.4 437 437 A G H 3<5S+ 0 0 26 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 106.2 56.4 -56.8 -38.9 35.4 48.8 79.4 438 438 A L H 3<5S- 0 0 46 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.728 115.9-119.1 -64.9 -22.3 31.8 48.7 78.1 439 439 A G T <<5S+ 0 0 38 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.655 83.7 111.7 94.5 20.1 30.7 50.2 81.5 440 440 A V < + 0 0 5 -5,-2.1 58,-0.4 1,-0.2 -4,-0.2 0.268 58.9 71.9-112.0 11.3 28.4 47.4 82.6 441 441 A A - 0 0 8 -6,-0.4 56,-0.2 -5,-0.3 -1,-0.2 -0.600 68.0-166.6-127.2 68.7 30.5 46.0 85.5 442 442 A P - 0 0 34 0, 0.0 54,-1.9 0, 0.0 2,-0.3 -0.221 13.1-159.5 -55.9 147.6 30.2 48.5 88.4 443 443 A T E +Q 495 0E 59 52,-0.2 2,-0.3 -7,-0.0 52,-0.2 -0.857 20.1 171.2-134.4 155.5 32.8 47.8 91.2 444 444 A A E -Q 494 0E 14 50,-1.6 50,-2.7 -2,-0.3 3,-0.0 -0.951 42.0-115.9-157.1 160.4 33.4 48.6 94.9 445 445 A D S S+ 0 0 99 -2,-0.3 2,-0.3 48,-0.2 3,-0.0 0.565 101.0 36.7 -79.2 -7.4 35.9 47.5 97.6 446 446 A S S > S- 0 0 38 48,-0.1 4,-2.3 1,-0.1 48,-0.1 -0.989 74.5-130.2-138.2 156.6 33.0 45.9 99.6 447 447 A L H > S+ 0 0 8 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.756 109.1 59.0 -70.7 -30.5 29.8 44.0 98.8 448 448 A V H > S+ 0 0 80 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.945 110.6 42.1 -61.0 -47.6 27.8 46.4 101.1 449 449 A K H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.948 115.8 49.7 -63.4 -48.5 28.9 49.3 99.0 450 450 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.928 110.9 49.3 -54.6 -50.0 28.3 47.4 95.8 451 451 A G H X>S+ 0 0 1 -4,-2.8 5,-3.1 1,-0.2 4,-1.3 0.880 110.5 51.0 -58.6 -40.6 24.8 46.3 96.8 452 452 A K H <5S+ 0 0 178 -4,-2.0 3,-0.3 3,-0.2 -1,-0.2 0.909 109.8 50.0 -62.9 -44.4 24.0 49.9 97.8 453 453 A M H <5S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.877 121.3 34.2 -56.4 -40.0 25.1 51.1 94.3 454 454 A E H <5S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.428 111.4-106.5-103.2 -3.9 23.1 48.4 92.5 455 455 A G T <5S+ 0 0 51 -4,-1.3 2,-0.4 -3,-0.3 -3,-0.2 0.862 74.0 136.3 76.4 34.1 19.9 48.0 94.6 456 456 A I S - 0 0 86 -67,-2.4 4,-2.4 -2,-0.4 5,-0.1 -0.376 39.5-160.1 -54.5 108.4 20.5 43.9 99.7 458 458 A G H > S+ 0 0 13 -2,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.811 84.2 45.5 -71.3 -39.7 24.1 44.6 100.9 459 459 A K H > S+ 0 0 72 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.915 116.3 47.4 -65.4 -46.2 24.2 42.7 104.2 460 460 A A H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.908 112.1 50.7 -62.0 -38.8 22.5 39.7 102.5 461 461 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.886 109.1 50.8 -63.7 -44.1 25.0 39.9 99.6 462 462 A T H X S+ 0 0 56 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.938 114.1 44.2 -55.7 -47.3 27.9 40.0 102.0 463 463 A E H X S+ 0 0 130 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.850 109.5 56.7 -72.2 -34.3 26.6 36.9 103.9 464 464 A T H X S+ 0 0 18 -4,-2.3 4,-2.8 -72,-0.3 -1,-0.2 0.912 110.5 43.3 -62.4 -43.8 25.8 35.1 100.6 465 465 A V H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 24,-0.3 0.894 112.8 52.1 -71.4 -40.1 29.4 35.4 99.3 466 466 A A H X S+ 0 0 65 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.939 114.5 44.3 -59.0 -44.3 30.8 34.4 102.7 467 467 A R H X S+ 0 0 132 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.915 113.5 49.4 -66.8 -44.5 28.6 31.4 102.6 468 468 A Y H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.906 109.4 52.0 -58.2 -44.4 29.4 30.5 99.0 469 469 A N H X S+ 0 0 27 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.881 106.5 53.8 -64.5 -35.7 33.1 30.8 99.6 470 470 A S H X S+ 0 0 73 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.887 108.3 50.5 -61.0 -38.6 32.7 28.4 102.6 471 471 A L H X>S+ 0 0 12 -4,-1.6 5,-1.4 2,-0.2 4,-0.7 0.855 107.4 53.8 -67.7 -39.6 31.0 26.0 100.1 472 472 A V H <5S+ 0 0 24 -4,-2.2 3,-0.5 2,-0.2 -2,-0.2 0.924 109.9 46.4 -55.5 -52.3 33.9 26.4 97.7 473 473 A S H <5S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 113.5 48.0 -63.5 -37.2 36.6 25.4 100.3 474 474 A S H <5S- 0 0 77 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.621 111.0-129.4 -79.0 -13.2 34.6 22.4 101.5 475 475 A G T <5S+ 0 0 56 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.585 72.3 89.5 78.4 13.0 34.2 21.4 97.9 476 476 A K < - 0 0 62 -5,-1.4 2,-1.2 8,-0.0 -2,-0.1 -0.972 62.0-145.8-145.3 132.4 30.4 20.9 97.7 477 477 A D > + 0 0 8 5,-0.5 4,-2.2 -2,-0.3 5,-0.1 -0.718 22.9 172.0 -95.2 88.9 27.5 23.3 97.0 478 478 A T T 4 S+ 0 0 103 -2,-1.2 -1,-0.2 1,-0.2 0, 0.0 0.597 74.3 60.9 -74.6 -11.1 24.8 21.8 99.3 479 479 A D T 4 S- 0 0 58 -3,-0.1 -1,-0.2 3,-0.1 -82,-0.1 0.916 130.6 -6.5 -80.0 -51.3 22.6 24.9 98.4 480 480 A F T 4 S- 0 0 75 -84,-0.1 -83,-0.2 -3,-0.1 -2,-0.2 0.323 89.4-117.6-132.6 2.7 22.2 24.5 94.5 481 481 A E < - 0 0 95 -4,-2.2 -3,-0.1 1,-0.2 -84,-0.1 0.785 39.2-177.5 66.0 29.3 24.4 21.6 93.7 482 482 A R - 0 0 4 1,-0.2 -5,-0.5 -5,-0.1 -1,-0.2 -0.489 16.0-152.7 -54.9 117.0 26.7 23.6 91.4 483 483 A P S S+ 0 0 106 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.603 75.6 50.7 -78.1 -10.8 29.1 20.8 90.3 484 484 A N + 0 0 41 -7,-0.0 -85,-0.1 -249,-0.0 -100,-0.1 -0.977 54.8 171.4-135.7 120.3 32.1 23.0 89.7 485 485 A L + 0 0 30 -2,-0.4 -10,-0.1 1,-0.1 -102,-0.1 -0.741 9.9 163.0-131.5 76.5 33.4 25.5 92.2 486 486 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.701 55.9 22.8 -79.4 -22.2 36.7 26.9 90.9 487 487 A R - 0 0 82 -103,-0.1 2,-0.3 -102,-0.0 -15,-0.1 -1.000 61.1-129.9-151.6 139.5 37.3 30.0 93.0 488 488 A A - 0 0 26 -2,-0.3 2,-1.2 -16,-0.1 3,-0.2 -0.687 31.0-126.6 -83.3 145.3 36.4 31.8 96.2 489 489 A L S S+ 0 0 0 -2,-0.3 -20,-0.1 -24,-0.3 -21,-0.0 -0.691 76.8 105.0 -95.5 82.9 35.3 35.4 95.7 490 490 A N + 0 0 105 -2,-1.2 2,-0.5 -21,-0.0 -1,-0.2 0.160 42.0 103.9-151.9 15.7 37.7 37.1 98.1 491 491 A E S S- 0 0 74 -3,-0.2 -68,-2.3 2,-0.2 -67,-0.5 -0.952 87.0 -49.3-111.2 124.7 40.5 38.8 96.1 492 492 A G S S+ 0 0 50 -2,-0.5 2,-0.1 -70,-0.2 -3,-0.0 -0.260 103.9 1.9 64.8-138.1 40.5 42.6 95.7 493 493 A N - 0 0 60 -71,-0.1 -70,-0.8 1,-0.1 2,-0.3 -0.276 66.2-124.1 -82.9 169.8 37.4 44.4 94.5 494 494 A Y E -PQ 422 444E 44 -50,-2.7 -50,-1.6 -72,-0.2 2,-0.3 -0.874 19.1-159.4-117.5 148.1 33.9 43.1 93.7 495 495 A Y E -PQ 421 443E 18 -74,-3.0 -74,-2.0 -2,-0.3 2,-0.4 -0.944 4.7-164.0-128.9 143.6 31.9 43.5 90.5 496 496 A A E -P 420 0E 0 -54,-1.9 2,-0.4 -2,-0.3 -76,-0.2 -0.987 2.6-172.2-121.5 137.4 28.2 43.2 89.7 497 497 A I E -P 419 0E 0 -78,-1.8 -78,-2.4 -2,-0.4 2,-0.4 -0.979 22.0-136.1-124.9 120.3 26.7 42.8 86.1 498 498 A E E -P 418 0E 44 -2,-0.4 -128,-2.4 -58,-0.4 -127,-0.4 -0.619 34.4-176.7 -73.8 128.7 22.9 43.1 85.8 499 499 A V E +PM 417 369E 0 -82,-2.9 -82,-2.1 -2,-0.4 -130,-0.2 -0.917 18.7 171.1-133.9 153.6 21.8 40.3 83.4 500 500 A T E - 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