==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2006 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-AUG-03 1Q9I . COMPND 2 MOLECULE: FLAVOCYTOCHROME C3; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; . AUTHOR E.L.ROTHERY,C.G.MOWAT,C.S.MILES,M.D.WALKINSHAW,G.A.REID, . 568 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23139.0 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 . 5 0.9 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 . 28 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 3 2 2 2 1 1 2 1 0 0 1 0 1 0 0 2 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 64 0, 0.0 93,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 150.6 26.2 69.5 52.3 2 2 A D + 0 0 118 1,-0.1 2,-0.3 92,-0.0 75,-0.1 0.589 360.0 19.1 -94.2 -12.5 23.4 67.0 52.4 3 3 A N S > S- 0 0 33 1,-0.1 4,-2.0 73,-0.1 72,-0.1 -0.980 79.4-105.7-152.4 166.1 25.7 64.0 51.7 4 4 A L H > S+ 0 0 38 69,-0.4 4,-1.9 -2,-0.3 71,-0.2 0.864 116.1 50.8 -62.6 -40.2 29.3 62.9 51.7 5 5 A A H > S+ 0 0 12 69,-3.1 4,-2.7 2,-0.2 5,-0.2 0.951 108.3 53.2 -61.1 -46.8 29.8 63.0 47.9 6 6 A E H > S+ 0 0 81 68,-0.4 4,-0.8 1,-0.2 -2,-0.2 0.891 107.9 52.2 -56.9 -42.4 28.4 66.5 47.8 7 7 A F H >< S+ 0 0 95 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.935 113.0 42.9 -56.5 -47.8 30.9 67.5 50.4 8 8 A H H >X S+ 0 0 34 -4,-1.9 3,-1.8 1,-0.2 4,-0.6 0.898 105.1 61.2 -70.1 -39.2 33.9 66.1 48.5 9 9 A V H 3< S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.656 81.3 83.9 -69.3 -14.9 32.9 67.4 45.0 10 10 A Q T << S+ 0 0 132 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.859 120.9 2.6 -51.1 -37.9 33.1 71.0 46.3 11 11 A N T <4 S+ 0 0 135 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.141 124.9 72.3-138.6 24.5 36.8 70.6 45.6 12 12 A Q S < S- 0 0 61 -4,-0.6 2,-0.2 2,-0.0 5,-0.0 -0.969 70.8-122.3-134.7 155.8 37.3 67.1 44.0 13 13 A E > - 0 0 145 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.491 33.3-106.5 -86.8 160.8 36.4 65.5 40.7 14 14 A C G >> S+ 0 0 92 1,-0.3 4,-2.1 2,-0.2 3,-1.6 0.869 118.6 61.5 -49.9 -40.8 34.2 62.4 40.3 15 15 A D G 34 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.2 6,-0.0 0.399 79.3 83.8 -77.2 6.3 37.3 60.3 39.5 16 16 A S G <4 S+ 0 0 39 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.814 116.6 12.3 -70.4 -30.4 38.8 61.1 43.0 17 17 A C T <4 S+ 0 0 45 -3,-1.6 18,-0.2 -4,-0.4 -2,-0.2 0.673 123.0 71.1-110.2 -30.2 36.5 58.2 44.1 18 18 A H S < S- 0 0 42 -4,-2.1 6,-0.1 1,-0.1 5,-0.1 -0.477 79.6-107.7 -97.2 158.7 35.4 56.6 40.9 19 19 A T > - 0 0 21 4,-0.5 3,-0.9 -2,-0.2 -1,-0.1 -0.289 50.8 -91.8 -64.2 161.4 37.0 54.5 38.2 20 20 A P T 3 S+ 0 0 124 0, 0.0 -5,-0.1 0, 0.0 -2,-0.1 0.817 126.7 38.4 -45.9 -45.0 37.6 56.2 34.7 21 21 A D T 3 S- 0 0 133 2,-0.1 3,-0.1 -6,-0.0 -6,-0.0 0.487 112.3-118.7 -91.4 -7.6 34.2 55.2 33.2 22 22 A G < + 0 0 36 -3,-0.9 2,-0.1 1,-0.3 3,-0.1 0.302 64.9 140.2 94.1 -10.0 32.4 55.7 36.4 23 23 A E - 0 0 49 1,-0.1 -4,-0.5 -5,-0.1 -1,-0.3 -0.441 61.1-106.4 -67.9 139.3 31.2 52.1 36.9 24 24 A L - 0 0 50 274,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.450 26.7-130.3 -62.4 137.5 31.3 50.8 40.4 25 25 A S - 0 0 39 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.886 67.1 -47.7 -61.3 -43.9 34.2 48.3 40.7 26 26 A N > - 0 0 57 -3,-0.0 3,-1.6 1,-0.0 -1,-0.2 -0.939 66.4 -75.9-179.0 176.3 32.2 45.4 42.4 27 27 A D T 3 S+ 0 0 9 1,-0.3 270,-0.1 -2,-0.3 246,-0.1 0.682 127.3 57.8 -74.0 -13.9 29.8 44.8 45.2 28 28 A S T 3 S- 0 0 21 244,-0.1 -1,-0.3 269,-0.0 41,-0.1 0.461 103.1-133.8 -83.7 -5.2 32.6 45.1 47.8 29 29 A L <> + 0 0 12 -3,-1.6 4,-2.6 245,-0.1 5,-0.3 0.890 44.7 163.9 49.8 46.5 33.4 48.6 46.4 30 30 A T H > + 0 0 73 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.951 68.6 42.3 -60.3 -51.6 37.0 47.6 46.4 31 31 A Y H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 115.3 49.3 -62.8 -46.5 38.3 50.4 44.2 32 32 A E H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.924 111.5 47.4 -63.9 -44.3 36.2 53.1 45.8 33 33 A N H X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.887 106.3 59.4 -64.9 -35.0 37.2 52.2 49.4 34 34 A T H X S+ 0 0 77 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.877 103.9 52.3 -59.3 -34.5 40.8 52.1 48.2 35 35 A Q H X S+ 0 0 37 -4,-1.5 4,-1.2 -3,-0.3 -2,-0.2 0.924 106.7 51.2 -68.7 -43.0 40.3 55.8 47.2 36 36 A C H >X S+ 0 0 36 -4,-1.7 4,-2.7 1,-0.2 3,-0.7 0.931 113.5 46.5 -54.0 -46.9 39.0 56.7 50.7 37 37 A V H 3X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.866 101.9 64.4 -67.8 -35.4 42.1 55.1 52.2 38 38 A S H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.794 118.6 25.9 -57.7 -32.4 44.4 56.8 49.7 39 39 A C H << S+ 0 0 97 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.757 132.1 33.0 -98.5 -36.3 43.5 60.1 51.2 40 40 A H H < S- 0 0 121 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.650 103.1-120.5 -99.7 -19.6 42.4 59.4 54.8 41 41 A G < - 0 0 12 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.359 45.4 -44.6 100.5 173.3 44.6 56.5 55.7 42 42 A T > - 0 0 62 -2,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.171 64.2 -96.5 -66.9 170.2 43.7 52.9 56.8 43 43 A L H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.918 128.5 52.3 -56.8 -41.7 41.0 52.3 59.3 44 44 A A H > S+ 0 0 71 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.882 109.5 49.5 -61.5 -36.8 43.7 52.1 62.0 45 45 A E H 4 S+ 0 0 113 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.912 111.4 48.0 -71.1 -43.3 45.1 55.5 60.9 46 46 A V H >< S+ 0 0 31 -4,-2.7 3,-1.8 1,-0.2 4,-0.4 0.881 104.5 62.3 -57.6 -39.9 41.7 57.1 61.0 47 47 A A H >< S+ 0 0 5 -4,-2.2 3,-1.4 11,-0.3 -1,-0.2 0.821 90.3 66.4 -61.0 -31.6 41.1 55.6 64.4 48 48 A E T 3< S+ 0 0 130 -4,-1.0 3,-0.4 -3,-0.5 -1,-0.3 0.789 104.4 46.7 -57.3 -28.4 44.0 57.6 65.8 49 49 A T T < S+ 0 0 113 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.452 111.1 49.6 -93.7 -4.6 41.9 60.7 65.1 50 50 A T S < S+ 0 0 40 -3,-1.4 7,-0.4 -4,-0.4 2,-0.2 -0.089 73.8 150.6-129.6 38.2 38.6 59.5 66.7 51 51 A K + 0 0 136 -3,-0.4 2,-0.3 5,-0.1 5,-0.2 -0.482 18.1 178.9 -74.6 134.1 39.6 58.2 70.1 52 52 A H - 0 0 91 3,-1.4 3,-0.1 -2,-0.2 -2,-0.1 -0.862 43.3-107.3-117.9 163.7 37.2 58.2 73.0 53 53 A E S S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.917 113.5 17.1 -57.0 -42.0 38.2 56.8 76.4 54 54 A H S S+ 0 0 116 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.323 127.9 26.6-119.1 3.4 36.1 53.7 76.2 55 55 A Y - 0 0 52 -3,-0.1 -3,-1.4 5,-0.0 2,-0.3 -0.986 47.9-168.4-160.3 163.3 35.1 53.4 72.5 56 56 A N > - 0 0 24 -2,-0.3 3,-1.6 3,-0.3 -5,-0.1 -0.869 20.1-147.2-158.8 118.1 36.2 54.2 68.9 57 57 A A T 3 S+ 0 0 37 -7,-0.4 3,-0.2 -2,-0.3 25,-0.1 0.808 105.1 44.7 -52.5 -33.0 34.0 53.9 65.7 58 58 A H T 3 S+ 0 0 39 -8,-0.2 -11,-0.3 1,-0.2 2,-0.3 0.330 112.2 50.6-100.7 5.6 37.2 53.1 63.8 59 59 A A S < S+ 0 0 62 -3,-1.6 -3,-0.3 -9,-0.1 -1,-0.2 -0.758 76.3 139.9-145.1 93.3 38.8 50.6 66.3 60 60 A S - 0 0 60 -2,-0.3 -3,-0.1 2,-0.2 -5,-0.0 -0.635 66.5 -91.6-126.2-178.9 36.4 47.9 67.3 61 61 A H S S+ 0 0 99 -2,-0.2 0, 0.0 2,-0.0 0, 0.0 0.504 83.9 117.3 -75.8 -3.5 36.2 44.2 68.0 62 62 A F - 0 0 43 1,-0.1 -2,-0.2 105,-0.0 4,-0.2 -0.481 58.4-141.2 -68.7 129.9 35.2 43.4 64.4 63 63 A P + 0 0 7 0, 0.0 98,-0.3 0, 0.0 193,-0.1 -0.289 59.1 35.1 -82.8 172.7 37.9 41.2 62.6 64 64 A G S S- 0 0 20 191,-0.1 2,-0.8 1,-0.1 195,-0.1 -0.264 107.4 -48.9 79.4-168.7 39.0 41.6 59.0 65 65 A E - 0 0 98 -2,-0.0 2,-0.5 -22,-0.0 -1,-0.1 -0.867 58.1-147.2-106.4 99.5 39.4 44.8 57.1 66 66 A V - 0 0 33 -2,-0.8 94,-0.1 -4,-0.2 -23,-0.1 -0.591 17.4-126.7 -77.0 116.8 36.1 46.8 57.6 67 67 A A > - 0 0 30 -2,-0.5 3,-1.8 92,-0.5 4,-0.3 -0.326 8.3-130.0 -63.5 138.7 35.3 48.8 54.5 68 68 A C G >> S+ 0 0 34 1,-0.3 4,-2.5 2,-0.2 3,-1.8 0.885 107.9 61.2 -51.8 -40.9 34.7 52.6 54.9 69 69 A T G 34 S+ 0 0 23 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.535 79.9 84.9 -72.1 -3.1 31.5 52.3 53.0 70 70 A S G <4 S+ 0 0 14 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.825 118.7 5.1 -59.1 -32.5 30.1 49.9 55.6 71 71 A C T <4 S+ 0 0 28 -3,-1.8 2,-0.8 -4,-0.3 -2,-0.2 0.612 126.7 64.8-122.3 -31.8 29.1 53.1 57.5 72 72 A H < - 0 0 51 -4,-2.5 -1,-0.2 -5,-0.2 2,-0.1 -0.845 60.3-176.3-103.9 97.7 29.9 56.0 55.1 73 73 A S - 0 0 30 -2,-0.8 -69,-0.4 3,-0.2 5,-0.2 -0.487 18.2-143.4 -78.3 160.7 27.8 56.0 51.9 74 74 A A S S+ 0 0 42 -70,-0.2 -69,-3.1 -2,-0.1 -68,-0.4 0.923 87.3 31.4 -92.2 -52.9 28.6 58.7 49.3 75 75 A H S S+ 0 0 123 -71,-0.2 2,-0.3 -70,-0.1 -1,-0.1 0.352 122.2 34.3-100.2 7.6 25.4 59.9 47.7 76 76 A E S S- 0 0 124 18,-0.0 -72,-0.3 0, 0.0 -3,-0.2 -0.987 92.6 -87.8-152.6 155.9 23.0 59.3 50.6 77 77 A K - 0 0 99 -2,-0.3 2,-0.3 -75,-0.1 18,-0.2 -0.321 51.7-157.8 -60.1 151.1 23.0 59.6 54.4 78 78 A S B -a 95 0A 9 16,-2.1 18,-1.7 15,-0.2 2,-0.3 -0.836 11.0-110.3-140.1 168.3 24.1 56.3 56.0 79 79 A M - 0 0 50 -2,-0.3 2,-0.6 16,-0.2 18,-0.1 -0.741 23.6-120.1-108.8 148.6 24.0 54.4 59.2 80 80 A V > - 0 0 10 16,-0.5 3,-2.0 -2,-0.3 4,-0.2 -0.762 20.4-147.3 -85.6 117.4 26.6 53.5 61.8 81 81 A Y G > S+ 0 0 8 -2,-0.6 3,-2.1 1,-0.3 4,-0.2 0.859 95.0 63.9 -58.9 -36.0 26.8 49.7 61.9 82 82 A C G >> S+ 0 0 27 1,-0.3 4,-2.2 2,-0.2 3,-1.8 0.756 86.4 73.4 -57.1 -26.4 27.7 49.8 65.6 83 83 A D G <4 S+ 0 0 51 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.578 77.7 77.5 -66.5 -13.0 24.2 51.3 66.4 84 84 A S G <4 S+ 0 0 20 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.667 118.2 9.3 -70.4 -16.6 22.7 47.9 65.7 85 85 A C T <4 S+ 0 0 50 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.536 128.8 42.5-130.1 -21.4 23.8 46.7 69.2 86 86 A H < - 0 0 32 -4,-2.2 -1,-0.2 2,-0.0 287,-0.1 -0.836 57.3-144.8-126.3 166.3 25.1 49.8 71.0 87 87 A S + 0 0 123 -2,-0.3 -4,-0.1 285,-0.1 2,-0.1 -0.458 35.0 166.7-128.4 60.6 24.1 53.4 71.5 88 88 A F - 0 0 58 1,-0.1 2,-1.2 -6,-0.1 -2,-0.0 -0.354 48.8-102.3 -70.4 154.3 27.5 55.2 71.7 89 89 A D + 0 0 133 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.686 60.6 163.0 -82.1 97.8 27.6 59.0 71.5 90 90 A F - 0 0 47 -2,-1.2 -10,-0.0 2,-0.1 0, 0.0 -0.839 34.6-165.4-115.5 156.5 28.8 59.4 67.9 91 91 A N + 0 0 157 -2,-0.3 -2,-0.1 2,-0.0 3,-0.0 -0.511 21.6 171.9-136.1 60.7 28.7 62.3 65.4 92 92 A M > - 0 0 27 1,-0.1 3,-1.3 4,-0.0 -12,-0.1 -0.586 40.9-108.5 -69.8 131.3 29.3 60.7 62.0 93 93 A P T 3 S+ 0 0 74 0, 0.0 -15,-0.2 0, 0.0 -89,-0.1 -0.375 100.8 9.7 -56.3 139.4 28.9 63.2 59.2 94 94 A Y T 3 S+ 0 0 41 1,-0.2 -16,-2.1 -93,-0.1 -21,-0.2 0.745 93.6 162.9 61.6 29.7 25.7 62.5 57.2 95 95 A A B < -a 78 0A 41 -3,-1.3 2,-0.3 -18,-0.2 -16,-0.2 -0.387 21.3-168.6 -72.4 153.1 24.4 59.9 59.7 96 96 A K - 0 0 98 -18,-1.7 -16,-0.5 -2,-0.1 3,-0.1 -0.944 38.3 -81.2-133.2 161.9 20.9 58.6 59.9 97 97 A K - 0 0 183 -2,-0.3 2,-0.2 1,-0.1 -18,-0.0 -0.300 54.4 -97.8 -61.6 141.9 19.3 56.5 62.6 98 98 A W + 0 0 46 -18,-0.1 2,-0.3 -15,-0.1 -1,-0.1 -0.421 54.6 158.7 -61.4 126.6 20.0 52.8 62.5 99 99 A L - 0 0 126 -2,-0.2 2,-0.6 -3,-0.1 -20,-0.1 -0.891 26.0-156.1-151.3 120.7 17.1 50.9 60.8 100 100 A R + 0 0 73 -2,-0.3 2,-0.3 -16,-0.0 -2,-0.0 -0.881 23.3 159.7 -98.4 117.0 17.3 47.4 59.2 101 101 A D + 0 0 144 -2,-0.6 -2,-0.0 2,-0.0 -1,-0.0 -0.790 10.3 168.6-135.5 87.2 14.7 46.7 56.6 102 102 A E - 0 0 49 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.918 36.5-117.7-101.7 124.7 15.9 43.9 54.4 103 103 A P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.264 30.6-117.7 -57.7 143.1 13.3 42.4 52.0 104 104 A T > - 0 0 61 1,-0.1 4,-1.6 243,-0.0 240,-0.0 -0.372 26.5-106.3 -73.1 163.6 12.6 38.7 52.7 105 105 A I T 4 S+ 0 0 5 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.893 124.3 53.5 -54.6 -39.4 13.4 36.2 50.0 106 106 A A T >4 S+ 0 0 72 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.906 105.0 53.1 -64.4 -39.5 9.6 36.0 49.4 107 107 A E G >4 S+ 0 0 107 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.838 97.7 66.1 -63.4 -32.5 9.4 39.7 48.9 108 108 A L G >< S+ 0 0 9 -4,-1.6 3,-1.9 1,-0.3 -1,-0.3 0.582 76.7 84.3 -70.1 -9.1 12.2 39.6 46.3 109 109 A A G X S+ 0 0 44 -3,-1.4 3,-0.9 -4,-0.4 -1,-0.3 0.774 76.1 73.1 -58.2 -24.6 9.8 37.6 44.1 110 110 A K G < S+ 0 0 156 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.694 80.7 71.5 -63.2 -18.8 8.6 41.1 43.1 111 111 A D G <> + 0 0 38 -3,-1.9 4,-2.5 1,-0.2 5,-0.3 -0.038 57.3 133.2 -88.4 31.6 11.9 41.4 41.1 112 112 A K H <> + 0 0 109 -3,-0.9 4,-2.4 2,-0.2 2,-0.5 0.922 68.5 58.0 -45.7 -54.9 10.5 38.9 38.6 113 113 A S H 4 S+ 0 0 86 -3,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.769 112.1 31.1 -73.7 125.9 11.7 41.4 36.0 114 114 A E H > S+ 0 0 114 -2,-0.5 4,-2.1 186,-0.0 -1,-0.2 -0.523 116.4 60.2 112.5 -49.8 15.4 41.7 36.7 115 115 A R H X S+ 0 0 27 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.928 105.3 46.3 -71.7 -42.3 15.7 38.1 37.9 116 116 A Q H X S+ 0 0 115 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.899 112.4 52.5 -64.6 -37.9 14.5 36.6 34.6 117 117 A A H > S+ 0 0 60 -5,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.899 110.2 48.1 -60.2 -45.4 16.9 39.0 32.8 118 118 A A H >< S+ 0 0 8 -4,-2.1 3,-1.2 1,-0.2 185,-0.3 0.945 112.2 47.2 -61.3 -47.5 19.8 37.8 35.0 119 119 A L H 3< S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.9 56.9 -70.1 -25.4 19.0 34.1 34.5 120 120 A A H 3< S+ 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.672 99.6 81.2 -73.8 -21.1 18.7 34.7 30.7 121 121 A S S << S- 0 0 71 -3,-1.2 3,-0.1 -4,-0.8 -3,-0.0 -0.303 96.9 -87.2 -81.1 164.1 22.3 36.0 30.8 122 122 A A - 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0 0 4 -3,-0.6 -26,-0.3 84,-0.1 2,-0.2 -0.943 54.2-167.0-150.4 167.3 16.6 39.7 86.2 417 417 A A E - P 0 499E 0 82,-2.4 82,-3.0 -2,-0.3 2,-0.4 -0.800 21.7-108.3-144.9-176.4 19.5 38.8 88.4 418 418 A Y E -OP 388 498E 6 -30,-2.7 -30,-2.3 -2,-0.2 2,-0.4 -0.989 11.6-138.0-128.2 130.7 23.1 39.9 89.0 419 419 A L E -OP 387 497E 0 78,-2.7 78,-1.9 -2,-0.4 2,-0.4 -0.713 28.9-164.1 -72.0 132.4 26.4 38.3 88.2 420 420 A I E +OP 386 496E 0 -34,-2.6 -34,-2.1 -2,-0.4 2,-0.3 -0.986 21.5 141.3-123.3 130.2 28.6 38.8 91.3 421 421 A F E - P 0 495E 0 74,-1.8 74,-2.9 -2,-0.4 2,-0.1 -0.968 32.8-133.0-157.2 174.2 32.3 38.4 91.3 422 422 A D E > - P 0 494E 0 -2,-0.3 4,-2.2 72,-0.2 72,-0.2 -0.418 44.8 -80.8-120.1-168.8 35.6 39.7 92.6 423 423 A D H > S+ 0 0 22 68,-2.4 4,-2.9 70,-0.7 5,-0.2 0.792 123.0 61.4 -73.9 -26.1 39.0 40.7 91.2 424 424 A S H > S+ 0 0 21 67,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.950 110.2 41.7 -62.5 -45.1 40.3 37.1 91.3 425 425 A V H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.936 114.1 53.3 -61.9 -46.1 37.5 36.2 88.8 426 426 A R H >< S+ 0 0 60 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.939 110.1 46.5 -55.1 -50.4 38.1 39.4 86.8 427 427 A K H 3< S+ 0 0 141 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.754 106.6 60.4 -64.3 -26.4 41.8 38.6 86.4 428 428 A S H 3< S+ 0 0 20 -4,-1.2 2,-0.4 -3,-0.4 -1,-0.2 0.659 105.3 48.1 -74.8 -16.7 41.1 35.0 85.4 429 429 A L X< - 0 0 2 -3,-1.2 3,-2.3 -4,-0.8 4,-0.5 -0.876 62.8-163.1-137.6 98.2 39.0 36.0 82.3 430 430 A a T > S+ 0 0 35 -181,-2.9 3,-1.1 -2,-0.4 4,-0.4 0.813 88.6 66.9 -49.3 -34.6 40.4 38.6 79.9 431 431 A K T >> S+ 0 0 44 -181,-1.7 3,-1.4 1,-0.2 4,-0.8 0.799 86.0 70.6 -62.8 -24.9 36.9 39.0 78.4 432 432 A I H X> S+ 0 0 0 -3,-2.3 4,-1.8 -6,-0.3 3,-0.5 0.826 86.6 64.1 -63.6 -33.1 35.5 40.6 81.7 433 433 A D H <> S+ 0 0 73 -3,-1.1 4,-2.3 -4,-0.5 -1,-0.3 0.782 94.8 62.0 -60.9 -23.2 37.6 43.7 81.2 434 434 A K H <> S+ 0 0 137 -3,-1.4 4,-1.9 -4,-0.4 -1,-0.2 0.879 102.7 49.0 -67.9 -38.6 35.5 44.3 78.1 435 435 A Y H S+ 0 0 13 -4,-0.8 5,-2.0 -3,-0.5 4,-0.8 0.897 110.2 51.1 -69.3 -34.9 32.3 44.5 80.3 436 436 A I H ><5S+ 0 0 60 -4,-1.8 3,-1.3 1,-0.2 5,-0.3 0.953 109.9 50.1 -64.7 -45.2 34.0 46.9 82.6 437 437 A G H 3<5S+ 0 0 26 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.846 105.8 56.0 -59.0 -36.7 34.9 49.1 79.6 438 438 A L H 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.675 114.9-118.8 -70.4 -16.9 31.3 49.0 78.3 439 439 A G T <<5S+ 0 0 34 -3,-1.3 -3,-0.2 -4,-0.8 -2,-0.1 0.639 83.7 112.8 90.5 17.7 30.2 50.4 81.7 440 440 A V < + 0 0 5 -5,-2.0 58,-0.3 1,-0.2 -4,-0.2 0.287 57.7 73.1-108.1 13.1 28.0 47.5 82.7 441 441 A A - 0 0 9 -6,-0.4 -1,-0.2 -5,-0.3 56,-0.2 -0.564 66.8-166.3-128.9 68.6 30.0 46.2 85.7 442 442 A P - 0 0 31 0, 0.0 54,-1.8 0, 0.0 2,-0.3 -0.133 13.9-161.0 -53.3 149.2 29.6 48.6 88.6 443 443 A T E +Q 495 0E 56 52,-0.2 2,-0.3 6,-0.0 52,-0.2 -0.930 19.6 171.0-139.5 154.2 32.1 48.0 91.4 444 444 A A E -Q 494 0E 13 50,-1.9 50,-2.7 -2,-0.3 3,-0.0 -0.980 41.5-116.3-157.7 163.1 32.7 48.7 95.1 445 445 A D S S+ 0 0 95 -2,-0.3 2,-0.3 48,-0.2 50,-0.1 0.538 100.1 36.0 -84.5 -3.1 35.1 47.7 97.8 446 446 A S S > S- 0 0 36 48,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.987 74.2-129.1-141.8 155.4 32.3 46.1 99.8 447 447 A L H > S+ 0 0 10 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.829 110.0 58.4 -71.3 -30.6 29.2 44.1 99.1 448 448 A V H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 109.5 43.6 -61.2 -44.6 27.1 46.4 101.3 449 449 A K H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.938 115.2 48.6 -67.2 -44.8 28.2 49.4 99.2 450 450 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.897 110.6 51.8 -59.2 -42.5 27.6 47.5 95.9 451 451 A G H X>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 4,-1.3 0.914 110.6 47.0 -61.5 -45.3 24.2 46.3 97.1 452 452 A K H <5S+ 0 0 184 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.5 51.3 -64.2 -37.6 23.1 49.8 97.9 453 453 A M H <5S+ 0 0 102 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 121.1 32.1 -60.6 -44.8 24.5 51.0 94.5 454 454 A E H <5S- 0 0 54 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.399 111.9-105.0-101.2 -0.6 22.6 48.3 92.6 455 455 A G T <5S+ 0 0 51 -4,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.855 74.6 134.8 74.1 36.5 19.4 47.8 94.6 456 456 A I S - 0 0 89 -67,-2.1 4,-2.6 -2,-0.4 5,-0.2 -0.361 39.2-156.2 -52.1 110.8 19.9 43.7 99.8 458 458 A G H > S+ 0 0 13 -2,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.842 85.7 44.4 -69.5 -40.5 23.4 44.6 101.0 459 459 A K H > S+ 0 0 136 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 115.7 48.5 -69.4 -42.6 23.6 42.5 104.2 460 460 A A H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.909 111.4 50.8 -64.9 -43.2 22.0 39.5 102.5 461 461 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.918 110.1 49.9 -56.9 -47.7 24.5 39.9 99.6 462 462 A T H X S+ 0 0 53 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.936 114.2 43.9 -58.1 -46.5 27.4 40.0 102.1 463 463 A E H X S+ 0 0 111 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.879 110.3 57.0 -70.4 -32.6 26.2 36.9 103.9 464 464 A T H X S+ 0 0 10 -4,-2.7 4,-2.6 -72,-0.3 -1,-0.2 0.901 108.4 45.0 -61.7 -43.6 25.5 35.1 100.6 465 465 A V H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 24,-0.2 0.915 112.1 52.7 -72.2 -38.3 29.1 35.5 99.4 466 466 A A H X S+ 0 0 62 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.924 112.4 44.9 -57.8 -46.9 30.5 34.4 102.8 467 467 A R H X S+ 0 0 133 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.922 112.8 50.8 -63.5 -47.4 28.3 31.3 102.7 468 468 A Y H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 109.0 51.2 -56.0 -47.2 29.2 30.6 99.1 469 469 A N H X S+ 0 0 31 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.866 106.7 54.9 -61.3 -36.1 32.9 31.0 99.9 470 470 A S H X S+ 0 0 76 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.896 107.6 49.5 -59.2 -42.0 32.5 28.5 102.7 471 471 A L H X>S+ 0 0 18 -4,-2.0 4,-1.3 2,-0.2 5,-1.3 0.860 108.6 53.0 -68.0 -34.7 31.0 26.0 100.2 472 472 A V H <5S+ 0 0 26 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.927 110.2 48.4 -63.0 -44.5 34.0 26.6 97.9 473 473 A S H <5S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.914 114.3 44.0 -63.7 -45.5 36.4 25.8 100.8 474 474 A S H <5S- 0 0 86 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.681 109.7-128.2 -76.1 -16.2 34.5 22.6 101.8 475 475 A G T <5S+ 0 0 56 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.623 74.0 89.5 84.9 16.1 34.3 21.6 98.1 476 476 A K < - 0 0 50 -5,-1.3 2,-1.2 8,-0.0 -2,-0.1 -0.955 63.1-144.6-149.3 124.7 30.5 20.9 97.9 477 477 A D > + 0 0 8 5,-0.6 4,-1.7 -2,-0.3 5,-0.1 -0.735 23.6 172.4 -89.5 93.7 27.6 23.2 97.1 478 478 A T T 4 S+ 0 0 111 -2,-1.2 -1,-0.2 1,-0.2 0, 0.0 0.554 73.6 58.4 -78.5 -8.1 24.9 21.8 99.3 479 479 A D T 4 S- 0 0 54 -3,-0.1 -1,-0.2 3,-0.1 -82,-0.1 0.922 130.3 -1.2 -85.6 -51.9 22.6 24.7 98.4 480 480 A F T 4 S- 0 0 69 -84,-0.1 -83,-0.2 2,-0.1 -2,-0.2 0.327 89.0-120.3-124.9 3.8 22.4 24.4 94.6 481 481 A E < + 0 0 95 -4,-1.7 -3,-0.1 1,-0.2 -84,-0.1 0.746 41.3 176.9 60.6 27.0 24.6 21.4 93.7 482 482 A R - 0 0 5 1,-0.1 -5,-0.6 -5,-0.1 -1,-0.2 -0.467 20.0-151.6 -58.1 121.4 26.9 23.4 91.5 483 483 A P S S+ 0 0 103 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.548 74.3 48.4 -81.5 -6.8 29.5 20.7 90.5 484 484 A N + 0 0 47 -243,-0.0 -100,-0.1 -8,-0.0 -85,-0.1 -0.991 54.1 176.5-141.6 120.2 32.5 23.0 90.0 485 485 A L + 0 0 29 -2,-0.4 -102,-0.1 1,-0.1 -10,-0.1 -0.787 11.3 166.3-127.6 80.7 33.6 25.7 92.4 486 486 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.713 56.2 21.3 -80.4 -24.1 36.8 27.1 91.0 487 487 A R - 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