==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-OCT-99 1QNN . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR S.SUGIO,B.Y.HIRAOKA,F.YAMAKURA . 763 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 9.4 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 . 4 0.5 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 . 41 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.8 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 4 3 0 7 4 2 0 4 3 1 4 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 4 4 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 4 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 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 90 0, 0.0 2,-0.4 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 164.4 42.0 75.1 83.4 2 2 A T - 0 0 95 48,-0.1 2,-0.4 39,-0.0 34,-0.0 -0.987 360.0-150.6-136.0 138.4 43.4 73.2 80.4 3 3 A H - 0 0 25 -2,-0.4 2,-0.3 33,-0.2 37,-0.1 -0.820 24.6-139.9-101.0 141.6 43.1 69.6 79.2 4 4 A E - 0 0 159 -2,-0.4 2,-0.5 36,-0.0 3,-0.0 -0.742 16.2-108.9-109.4 154.4 46.1 68.2 77.2 5 5 A L - 0 0 61 -2,-0.3 28,-0.1 1,-0.1 23,-0.0 -0.653 47.0-116.3 -75.8 122.5 46.4 66.1 74.1 6 6 A I - 0 0 38 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 -0.263 20.9-120.9 -62.6 145.8 47.8 62.7 75.4 7 7 A S - 0 0 109 1,-0.0 -1,-0.1 -3,-0.0 -3,-0.0 -0.709 29.9-116.4 -86.9 137.2 51.2 61.6 74.2 8 8 A L - 0 0 38 -2,-0.4 71,-0.1 1,-0.1 4,-0.1 -0.575 11.2-142.3 -76.2 134.6 51.1 58.3 72.4 9 9 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.395 82.5 38.6 -76.8 4.6 53.0 55.5 74.2 10 10 A Y S S- 0 0 29 72,-0.0 -2,-0.1 2,-0.0 2,-0.0 -0.917 97.8 -77.1-145.7 171.1 54.2 54.1 70.9 11 11 A A > - 0 0 56 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.355 47.0-110.9 -67.7 152.0 55.5 55.2 67.4 12 12 A V T 3 S+ 0 0 53 1,-0.3 12,-0.3 2,-0.1 3,-0.2 0.722 118.7 42.0 -59.4 -20.5 52.8 56.4 65.0 13 13 A D T > S+ 0 0 64 1,-0.1 3,-1.3 2,-0.1 -1,-0.3 0.336 83.1 102.2-107.9 7.5 53.4 53.4 62.8 14 14 A A T < S+ 0 0 18 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.740 80.6 51.0 -63.8 -23.0 53.6 50.8 65.6 15 15 A L T >> S+ 0 0 3 -4,-0.3 4,-1.8 4,-0.2 3,-0.6 0.415 88.3 158.3 -97.8 2.5 50.1 49.5 65.1 16 16 A A T <4 + 0 0 13 -3,-1.3 452,-1.1 1,-0.3 4,-0.1 -0.348 52.3 24.7 -63.6 151.1 50.2 48.9 61.3 17 17 A P T 34 S+ 0 0 7 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 -0.997 127.4 43.7 -89.5 -8.0 48.7 47.2 59.5 18 18 A V T <4 S+ 0 0 6 -3,-0.6 2,-0.4 1,-0.3 -2,-0.2 0.892 133.6 20.2 -61.7 -40.8 45.5 47.0 61.7 19 19 A I S < S- 0 0 4 -4,-1.8 -1,-0.3 -6,-0.1 -4,-0.2 -0.929 94.0-139.1-131.5 106.6 45.8 50.8 62.4 20 20 A S > - 0 0 15 -2,-0.4 4,-2.5 -3,-0.3 5,-0.2 -0.159 19.4-115.6 -67.0 156.0 47.9 52.6 59.8 21 21 A K H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 119.6 53.2 -55.5 -39.8 50.5 55.3 60.4 22 22 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 108.3 49.2 -63.7 -42.7 48.2 57.6 58.4 23 23 A T H > S+ 0 0 2 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.902 109.4 51.5 -64.6 -41.3 45.2 56.8 60.6 24 24 A V H X>S+ 0 0 1 -4,-2.5 4,-2.9 -12,-0.3 5,-0.9 0.951 109.9 50.2 -60.6 -47.6 47.1 57.4 63.8 25 25 A E H X5S+ 0 0 82 -4,-2.3 4,-0.7 3,-0.2 5,-0.3 0.891 119.5 35.9 -58.6 -41.9 48.2 60.8 62.5 26 26 A F H X>S+ 0 0 48 -4,-2.1 5,-2.8 3,-0.2 4,-1.6 0.934 120.9 46.0 -77.8 -46.5 44.7 61.8 61.6 27 27 A H H <>S+ 0 0 1 -4,-3.7 5,-2.5 -5,-0.2 -3,-0.2 0.936 129.4 23.7 -61.8 -49.4 42.9 60.1 64.4 28 28 A H H <>S+ 0 0 25 -4,-2.9 5,-1.2 -5,-0.4 -3,-0.2 0.955 130.2 40.7 -81.3 -55.4 45.2 61.3 67.1 29 29 A G H << S+ 0 0 0 -4,-1.9 3,-1.6 -5,-0.2 2,-0.2 0.538 77.8 112.5 -88.0 -5.3 34.4 74.9 79.5 44 44 A I T 3 S+ 0 0 97 -3,-0.4 3,-0.1 -4,-0.4 -3,-0.0 -0.498 86.9 13.4 -68.9 131.5 35.7 78.4 80.2 45 45 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.670 111.1 104.1 78.3 16.3 33.2 80.4 82.3 46 46 A T S X S- 0 0 49 -3,-1.6 3,-1.4 1,-0.0 -1,-0.3 -0.724 88.5-102.4-122.2 174.4 31.3 77.3 83.2 47 47 A E T 3 S+ 0 0 160 1,-0.3 3,-0.3 -2,-0.2 -4,-0.1 0.570 120.6 58.2 -71.6 -9.3 31.1 75.0 86.3 48 48 A F T > S+ 0 0 16 -5,-0.2 3,-0.8 1,-0.2 -1,-0.3 0.374 71.5 105.3-101.6 2.8 33.3 72.6 84.5 49 49 A E T < S+ 0 0 61 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.841 97.7 19.5 -52.3 -38.0 36.2 75.0 84.0 50 50 A N T 3 S+ 0 0 105 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.253 97.8 117.4-119.2 13.6 38.3 73.3 86.7 51 51 A A S < S- 0 0 19 -3,-0.8 2,-0.1 1,-0.1 -3,-0.1 -0.422 70.1-105.5 -79.3 155.9 36.6 69.9 87.0 52 52 A D >> - 0 0 96 -2,-0.1 4,-1.7 1,-0.1 3,-0.6 -0.443 37.0-104.6 -76.2 156.9 38.5 66.7 86.2 53 53 A L H 3> S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.874 117.8 54.3 -50.5 -46.5 37.7 65.0 82.9 54 54 A N H 3> S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 106.5 51.8 -58.9 -38.4 35.6 62.2 84.4 55 55 A T H <> S+ 0 0 36 -3,-0.6 4,-1.8 2,-0.2 5,-0.3 0.894 108.7 51.5 -65.7 -38.6 33.4 64.6 86.3 56 56 A I H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.942 109.5 49.0 -64.0 -45.7 32.7 66.5 83.1 57 57 A V H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 112.7 49.0 -62.5 -35.9 31.7 63.4 81.2 58 58 A Q H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.809 126.5 22.2 -74.7 -28.8 29.4 62.4 84.0 59 59 A K H < S+ 0 0 141 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.700 96.8 93.0-115.1 -22.7 27.6 65.7 84.3 60 60 A S < - 0 0 2 -4,-3.2 2,-0.3 -5,-0.3 -4,-0.0 -0.124 48.8-160.5 -72.4 171.9 27.9 67.8 81.1 61 61 A E >> + 0 0 172 4,-0.0 3,-0.9 0, 0.0 4,-0.9 -0.902 48.7 5.5-143.2 166.4 25.5 68.1 78.2 62 62 A G H 3> S- 0 0 38 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.186 122.9 -6.7 61.4-144.1 25.6 69.2 74.6 63 63 A G H 3> S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.822 134.9 56.1 -57.0 -34.7 28.8 70.3 72.9 64 64 A I H <> S+ 0 0 31 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.935 110.7 44.1 -65.3 -44.1 30.7 70.1 76.2 65 65 A F H X S+ 0 0 29 -4,-0.9 4,-3.4 2,-0.2 5,-0.3 0.920 110.2 54.5 -66.3 -44.6 29.7 66.5 76.6 66 66 A N H X S+ 0 0 42 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.915 115.9 38.7 -55.7 -45.1 30.4 65.5 73.0 67 67 A N H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.872 118.4 46.6 -75.6 -39.0 34.0 66.8 73.2 68 68 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.911 113.9 49.4 -69.2 -41.1 34.7 65.7 76.7 69 69 A G H X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.2 -2,-0.2 0.921 113.0 46.0 -63.4 -44.0 33.2 62.2 76.0 70 70 A Q H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.842 111.4 53.4 -67.0 -34.4 35.3 61.9 72.8 71 71 A T H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.968 113.7 41.1 -65.9 -51.1 38.4 63.1 74.7 72 72 A L H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.945 113.9 54.5 -60.5 -47.4 38.0 60.5 77.4 73 73 A N H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.943 113.2 40.4 -51.2 -54.9 37.0 57.8 74.8 74 74 A H H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.813 109.8 59.0 -66.9 -33.1 40.2 58.3 72.7 75 75 A N H X S+ 0 0 29 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.917 114.2 38.4 -60.3 -43.2 42.5 58.7 75.7 76 76 A L H X S+ 0 0 31 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.836 116.2 53.9 -75.1 -34.9 41.4 55.3 76.8 77 77 A Y H >< S+ 0 0 1 -4,-2.2 3,-1.0 -5,-0.3 4,-0.3 0.957 109.6 44.7 -64.7 -54.3 41.4 54.0 73.2 78 78 A F H >< S+ 0 0 3 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.798 112.9 50.7 -64.8 -30.2 44.9 55.0 72.3 79 79 A T H 3< S+ 0 0 42 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.525 97.6 66.5 -89.0 -2.7 46.5 53.7 75.5 80 80 A Q T << S+ 0 0 0 -3,-1.0 103,-2.6 -4,-0.6 2,-0.3 0.499 89.4 79.2 -94.3 -2.5 45.0 50.3 75.5 81 81 A F B < +A 182 0A 0 -3,-0.6 101,-0.2 -4,-0.3 -66,-0.0 -0.801 48.5 165.4-107.4 149.8 46.9 49.1 72.4 82 82 A R > - 0 0 64 99,-2.0 3,-0.6 -2,-0.3 4,-0.2 -0.952 37.5-109.3-158.3 136.9 50.5 47.9 72.1 83 83 A P T 3 S+ 0 0 54 0, 0.0 -68,-0.1 0, 0.0 98,-0.1 -0.260 99.3 25.8 -66.2 160.4 52.3 46.1 69.3 84 84 A G T 3 S+ 0 0 84 1,-0.1 97,-0.1 96,-0.1 96,-0.0 0.827 105.5 87.7 57.3 37.7 53.3 42.5 69.8 85 85 A K < + 0 0 92 -3,-0.6 98,-0.2 95,-0.5 2,-0.1 0.200 34.4 109.0-126.4-112.4 50.6 41.8 72.4 86 86 A G + 0 0 11 96,-1.5 98,-0.4 -4,-0.2 94,-0.2 -0.421 37.1 117.0 67.9-137.5 47.0 40.6 71.9 87 87 A G S S- 0 0 59 -2,-0.1 95,-0.1 96,-0.1 -1,-0.1 -0.460 75.4 -45.3 74.0-147.9 46.3 37.1 73.0 88 88 A A - 0 0 58 -2,-0.1 2,-0.1 1,-0.0 96,-0.1 -0.844 56.3-100.6-122.7 158.4 43.8 36.6 75.9 89 89 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.473 37.2-164.5 -76.9 147.7 43.3 38.2 79.3 90 90 A K > + 0 0 134 -2,-0.1 4,-2.2 94,-0.1 3,-0.3 -0.464 44.1 17.4-117.1-170.6 44.5 36.6 82.4 91 91 A G H > S- 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.046 118.2 -7.0 47.9-148.4 43.9 36.9 86.2 92 92 A K H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 139.4 41.5 -44.2 -58.6 40.9 38.7 87.6 93 93 A L H > S+ 0 0 1 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.937 113.0 55.2 -60.6 -46.9 39.5 40.1 84.4 94 94 A G H X S+ 0 0 8 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.862 109.6 46.9 -54.5 -39.1 40.2 36.9 82.6 95 95 A E H X S+ 0 0 143 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.938 110.4 51.1 -69.9 -47.0 38.2 34.9 85.1 96 96 A A H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.829 106.7 55.3 -60.1 -34.2 35.2 37.2 85.2 97 97 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 6,-0.4 0.884 110.3 45.5 -67.3 -38.0 35.0 37.1 81.4 98 98 A D H X S+ 0 0 81 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.913 115.4 46.3 -70.4 -43.0 34.7 33.3 81.4 99 99 A K H < S+ 0 0 190 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 122.3 34.8 -66.9 -42.1 32.2 33.3 84.2 100 100 A Q H < S+ 0 0 75 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.735 135.0 23.8 -86.5 -24.1 30.0 36.0 82.7 101 101 A F H < S- 0 0 27 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.548 98.3-120.9-117.8 -11.4 30.4 35.1 79.1 102 102 A G S < S- 0 0 58 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.2 -0.184 83.1 -0.1 99.3 -41.8 31.4 31.5 79.1 103 103 A S S > S- 0 0 47 -6,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.962 72.8-104.5-171.7 160.1 34.7 32.0 77.4 104 104 A F H > S+ 0 0 23 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.885 119.9 52.5 -60.4 -40.9 36.9 34.7 75.9 105 105 A E H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 108.8 49.0 -63.3 -42.9 36.0 33.6 72.3 106 106 A K H > S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.891 112.0 49.6 -64.4 -39.0 32.3 33.8 73.1 107 107 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.891 107.0 56.0 -66.3 -40.9 32.8 37.3 74.6 108 108 A K H X S+ 0 0 41 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.944 107.9 46.0 -58.4 -51.3 34.8 38.4 71.5 109 109 A E H X S+ 0 0 102 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.830 112.0 51.2 -64.7 -31.0 32.0 37.6 69.1 110 110 A E H X S+ 0 0 90 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.905 113.1 46.9 -70.1 -37.7 29.4 39.2 71.2 111 111 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.949 113.7 47.3 -65.0 -49.3 31.7 42.3 71.3 112 112 A N H X S+ 0 0 30 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.923 111.8 50.1 -59.4 -46.9 32.2 42.2 67.6 113 113 A T H X S+ 0 0 81 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.901 109.5 51.7 -60.0 -40.6 28.5 41.8 66.9 114 114 A A H X S+ 0 0 12 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.899 112.8 45.4 -61.9 -41.9 27.7 44.7 69.2 115 115 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.857 114.2 48.4 -71.4 -34.6 30.2 46.9 67.3 116 116 A T H < S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.823 112.3 46.9 -75.8 -32.3 29.0 45.8 63.9 117 117 A T H < S+ 0 0 83 -4,-2.3 2,-0.9 -5,-0.2 -1,-0.2 0.545 80.9 109.6 -87.3 -7.7 25.3 46.3 64.6 118 118 A L S < S- 0 0 13 -4,-0.7 2,-0.3 -5,-0.2 4,-0.1 -0.580 70.3-137.9 -70.4 108.2 25.8 49.7 66.1 119 119 A F - 0 0 55 -2,-0.9 2,-0.2 2,-0.0 -2,-0.1 -0.529 60.9 -12.7 -74.6 126.6 24.3 51.9 63.3 120 120 A G S S- 0 0 3 -2,-0.3 2,-0.2 213,-0.1 192,-0.1 -0.571 113.7 -12.8 89.0-151.1 26.2 55.1 62.6 121 121 A S S S+ 0 0 2 -2,-0.2 20,-2.4 38,-0.1 2,-0.3 -0.585 84.1 96.0 -89.1 149.3 29.0 56.5 64.7 122 122 A G E -B 140 0B 0 18,-0.3 36,-2.5 -2,-0.2 37,-0.4 -0.997 57.0 -86.2 165.9-165.5 29.7 55.3 68.2 123 123 A W E -BC 139 157B 0 16,-3.0 16,-3.4 -2,-0.3 2,-0.5 -0.974 14.9-144.8-139.6 148.2 31.7 53.1 70.6 124 124 A V E -BC 138 156B 0 32,-2.0 32,-2.5 -2,-0.3 2,-0.4 -0.977 29.5-166.6-113.3 124.3 31.4 49.6 71.9 125 125 A W E -BC 137 155B 0 12,-3.2 12,-3.2 -2,-0.5 2,-0.7 -0.919 24.9-151.5-119.3 139.7 32.6 49.4 75.6 126 126 A L E +BC 136 154B 0 28,-3.0 27,-2.9 -2,-0.4 28,-1.5 -0.946 39.4 170.2-100.4 119.7 33.4 46.6 77.9 127 127 A A E -BC 135 152B 0 8,-2.6 8,-2.3 -2,-0.7 2,-0.3 -0.831 22.7-154.4-129.3 168.2 32.6 48.1 81.4 128 128 A S E -BC 134 151B 3 23,-1.5 23,-3.2 -2,-0.3 6,-0.2 -0.981 10.6-135.3-142.1 152.9 32.2 47.0 85.0 129 129 A D > - 0 0 51 4,-1.4 3,-2.3 -2,-0.3 21,-0.1 -0.383 47.4 -81.2 -97.6-178.8 30.3 48.1 88.0 130 130 A A T 3 S+ 0 0 108 1,-0.3 20,-0.0 19,-0.2 -1,-0.0 0.771 130.6 53.1 -54.0 -28.2 31.6 48.5 91.6 131 131 A N T 3 S- 0 0 154 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.479 120.9-105.0 -87.9 -3.6 31.1 44.8 92.1 132 132 A G < + 0 0 16 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.533 65.9 156.3 92.1 7.4 33.2 43.8 89.1 133 133 A K - 0 0 132 1,-0.1 -4,-1.4 -33,-0.0 -1,-0.3 -0.556 33.8-140.1 -72.1 125.1 30.1 42.8 87.0 134 134 A L E +B 128 0B 7 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.629 25.5 170.3 -91.3 143.3 30.9 43.1 83.3 135 135 A S E -B 127 0B 32 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.6 -0.969 31.7-126.3-145.5 156.9 28.6 44.4 80.7 136 136 A I E -B 126 0B 40 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.945 28.4-162.1-108.4 119.2 28.9 45.4 77.0 137 137 A E E -B 125 0B 48 -12,-3.2 -12,-3.2 -2,-0.6 2,-0.8 -0.892 12.1-153.4-107.9 125.9 27.8 48.9 76.3 138 138 A K E -B 124 0B 101 -2,-0.5 -14,-0.2 -14,-0.2 6,-0.1 -0.861 20.4-169.8 -95.5 109.0 26.8 50.2 72.9 139 139 A E E -B 123 0B 16 -16,-3.4 -16,-3.0 -2,-0.8 -2,-0.0 -0.862 12.4-142.4-107.6 107.7 27.5 53.9 73.0 140 140 A P E > -B 122 0B 83 0, 0.0 3,-2.0 0, 0.0 -18,-0.3 -0.369 64.5 -31.1 -66.3 144.2 26.2 56.1 70.2 141 141 A N T 3 S- 0 0 48 -20,-2.4 -2,-0.1 1,-0.3 18,-0.1 -0.274 135.2 -1.2 54.5-109.1 28.5 59.0 69.1 142 142 A A T 3 S+ 0 0 2 -2,-0.3 -1,-0.3 -21,-0.1 -69,-0.2 0.330 94.0 140.9 -96.3 7.5 30.4 60.3 72.1 143 143 A G < + 0 0 6 -3,-2.0 -4,-0.2 -20,-0.1 -86,-0.0 -0.073 24.4 179.4 -56.4 148.2 29.0 58.0 74.8 144 144 A N > - 0 0 0 -87,-0.1 3,-2.0 -6,-0.1 4,-0.2 -0.981 35.3-124.1-149.3 136.2 31.1 56.5 77.6 145 145 A P G > >S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 3,-2.0 0.670 100.7 78.3 -54.9 -21.3 30.0 54.2 80.5 146 146 A V G > 5S+ 0 0 4 1,-0.3 3,-1.7 3,-0.2 -88,-0.0 0.796 83.8 66.3 -60.9 -24.1 31.3 56.6 83.2 147 147 A R G < 5S+ 0 0 98 -3,-2.0 -1,-0.3 1,-0.3 -4,-0.0 0.754 102.9 46.2 -66.6 -22.8 28.1 58.6 82.5 148 148 A K G < 5S- 0 0 101 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.232 125.4-104.2-100.5 9.5 26.3 55.5 84.0 149 149 A G T < 5S+ 0 0 56 -3,-1.7 -3,-0.2 1,-0.3 -19,-0.2 0.646 80.8 133.7 76.8 13.2 28.7 55.3 86.9 150 150 A L < - 0 0 36 -5,-2.2 -1,-0.3 -6,-0.1 -21,-0.2 -0.500 60.9-115.7 -93.0 165.3 30.4 52.3 85.3 151 151 A N E -C 128 0B 65 -23,-3.2 -23,-1.5 -2,-0.2 2,-0.5 -0.896 26.4-135.9-103.7 114.0 34.2 51.7 84.9 152 152 A P E +C 127 0B 9 0, 0.0 -25,-0.2 0, 0.0 3,-0.1 -0.565 32.9 164.4 -73.2 121.4 35.3 51.7 81.2 153 153 A L E + 0 0 0 -27,-2.9 2,-0.4 -2,-0.5 -26,-0.2 0.874 63.2 7.6-100.7 -54.5 37.7 48.8 80.6 154 154 A L E -C 126 0B 0 -28,-1.5 -28,-3.0 36,-0.0 2,-0.4 -0.996 64.2-174.4-136.4 127.8 38.0 48.3 76.8 155 155 A G E -C 125 0B 0 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.982 10.4-160.3-129.2 135.0 36.6 50.4 74.0 156 156 A F E -C 124 0B 0 -32,-2.5 -32,-2.0 -2,-0.4 2,-0.5 -0.950 19.7-135.7-111.4 128.8 36.5 50.0 70.3 157 157 A D E +C 123 0B 0 -2,-0.5 -34,-0.2 -34,-0.2 -42,-0.0 -0.718 23.9 176.1 -84.5 120.5 35.9 53.1 68.1 158 158 A V + 0 0 0 -36,-2.5 2,-0.2 -2,-0.5 -35,-0.2 0.204 39.3 121.5-109.8 15.7 33.4 52.4 65.3 159 159 A W S > S- 0 0 6 -37,-0.4 3,-2.0 -38,-0.2 4,-0.3 -0.614 77.0-118.3 -68.7 139.7 33.3 56.0 64.0 160 160 A E G >> S+ 0 0 7 1,-0.3 4,-2.6 -2,-0.2 3,-1.4 0.759 109.0 69.9 -56.1 -27.3 34.3 55.4 60.3 161 161 A H G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.727 88.0 68.5 -64.4 -17.6 37.5 57.6 60.7 162 162 A A G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.784 123.7 3.4 -70.4 -26.5 38.9 54.9 62.9 163 163 A Y T X>>S+ 0 0 7 -3,-1.4 4,-3.1 -4,-0.3 3,-0.7 0.446 96.6 103.2-139.4 -2.9 39.2 52.4 60.1 164 164 A Y H 3X5S+ 0 0 0 -4,-2.6 4,-1.6 3,-0.2 -3,-0.1 0.841 76.8 57.5 -58.9 -41.3 38.2 53.9 56.7 165 165 A L H 345S+ 0 0 45 -4,-0.3 -1,-0.2 1,-0.2 -4,-0.1 0.833 124.3 23.7 -61.2 -29.7 41.7 54.5 55.2 166 166 A T H <45S+ 0 0 18 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.838 139.6 22.3-101.2 -44.0 42.5 50.9 55.5 167 167 A Y H ><5S- 0 0 0 -4,-3.1 3,-2.8 1,-0.2 -3,-0.2 0.542 75.7-172.7-103.7 -12.7 39.2 49.0 55.6 168 168 A Q T 3< + 0 0 41 -3,-2.8 4,-1.5 1,-0.2 3,-0.3 -0.360 34.5 151.1 -82.9 65.8 34.6 46.6 56.1 171 171 A R H > + 0 0 26 -2,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.883 69.6 59.5 -60.4 -40.5 34.0 47.5 59.8 172 172 A A H > S+ 0 0 50 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.899 105.0 48.6 -55.8 -44.4 33.5 43.9 60.7 173 173 A D H > S+ 0 0 49 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.861 110.2 52.4 -65.1 -36.9 37.0 42.9 59.5 174 174 A H H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.931 107.7 51.0 -64.6 -47.0 38.5 45.8 61.5 175 175 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.888 110.8 47.4 -60.8 -41.2 36.8 44.8 64.7 176 176 A K H < S+ 0 0 79 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.854 112.8 50.5 -71.4 -28.3 38.0 41.2 64.5 177 177 A D H >< S+ 0 0 13 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.762 94.7 72.6 -77.7 -25.4 41.6 42.4 63.7 178 178 A L H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.765 81.4 70.8 -61.1 -28.1 41.7 44.8 66.6 179 179 A W G >< S+ 0 0 11 -4,-0.6 3,-1.2 -3,-0.5 -1,-0.3 0.797 85.7 69.3 -60.5 -27.4 42.0 42.0 69.2 180 180 A S G < S+ 0 0 64 -3,-1.3 -95,-0.5 1,-0.2 -1,-0.3 0.636 104.8 39.5 -67.4 -15.4 45.6 41.4 67.9 181 181 A I G < S+ 0 0 12 -3,-1.8 -99,-2.0 -4,-0.2 2,-0.4 0.212 82.6 120.7-119.3 15.7 46.8 44.7 69.4 182 182 A V B < -A 81 0A 0 -3,-1.2 -96,-1.5 -101,-0.2 2,-1.0 -0.679 54.2-147.0 -82.0 127.3 45.0 44.8 72.6 183 183 A D >> - 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