==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-APR-12 4ESE . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR K.TAN,M.GU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR STRUC . 193 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.6 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 22 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 1 0 0 0 1 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 A A 0 0 120 0, 0.0 36,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 64.1 -9.1 -15.9 -19.0 2 1 A M + 0 0 150 1,-0.4 2,-0.3 32,-0.1 35,-0.1 0.829 360.0 2.5 -98.7 -48.2 -9.0 -12.3 -17.6 3 2 A S - 0 0 25 31,-0.1 35,-1.5 2,-0.0 2,-0.5 -0.992 56.8-141.0-138.6 148.4 -7.8 -13.0 -14.0 4 3 A K E -a 38 0A 66 -2,-0.3 85,-2.7 33,-0.2 86,-2.2 -0.957 28.3-160.5-102.8 126.0 -6.9 -16.0 -12.0 5 4 A V E -ab 39 90A 0 33,-2.4 35,-2.8 -2,-0.5 2,-0.5 -0.927 10.9-165.2-115.9 130.8 -8.3 -15.6 -8.4 6 5 A L E -ab 40 91A 0 84,-2.9 86,-3.4 -2,-0.5 2,-0.5 -0.961 6.7-162.5-113.9 123.8 -7.1 -17.4 -5.3 7 6 A V E -ab 41 92A 0 33,-2.8 35,-3.1 -2,-0.5 2,-0.6 -0.934 2.0-161.2-107.9 126.6 -9.3 -17.3 -2.2 8 7 A L E -ab 42 93A 0 84,-3.3 86,-3.0 -2,-0.5 2,-0.4 -0.929 3.0-164.7-109.8 117.0 -7.8 -18.2 1.2 9 8 A K E +a 43 0A 28 33,-2.2 35,-2.9 -2,-0.6 36,-0.2 -0.823 17.2 164.6 -96.3 138.8 -10.2 -19.1 4.0 10 9 A S + 0 0 0 -2,-0.4 95,-0.3 84,-0.3 96,-0.2 0.457 30.3 120.4-133.0 -5.9 -8.8 -19.1 7.5 11 10 A S - 0 0 3 1,-0.1 3,-0.3 94,-0.1 34,-0.1 -0.277 50.1-151.1 -61.6 148.8 -11.8 -19.2 9.9 12 11 A I S S+ 0 0 95 1,-0.2 -1,-0.1 33,-0.1 0, 0.0 0.332 83.6 80.5 -98.6 5.8 -12.2 -22.1 12.4 13 12 A L S > S- 0 0 107 1,-0.3 3,-1.6 2,-0.1 4,-0.4 0.261 78.4-158.5 -98.7 12.6 -16.0 -21.8 12.4 14 13 A A G > - 0 0 61 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 -0.151 67.8 -5.3 54.8-131.0 -16.6 -23.7 9.2 15 14 A T G 3 S+ 0 0 130 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.726 134.1 59.0 -73.2 -19.6 -19.9 -23.1 7.5 16 15 A S G < S+ 0 0 95 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.520 81.5 121.4 -81.6 -6.7 -21.2 -20.9 10.3 17 16 A S <> - 0 0 2 -3,-1.2 4,-2.1 -4,-0.4 5,-0.2 -0.375 57.5-151.5 -62.9 127.4 -18.2 -18.6 9.8 18 17 A Q H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 99.6 47.9 -60.1 -44.7 -19.1 -15.0 9.0 19 18 A S H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 110.5 50.8 -73.3 -31.7 -15.9 -14.6 7.0 20 19 A N H > S+ 0 0 7 2,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.889 109.7 50.8 -66.7 -39.6 -16.4 -17.9 5.0 21 20 A Q H X S+ 0 0 62 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.936 112.3 47.4 -59.6 -44.8 -20.0 -16.8 4.2 22 21 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.913 110.2 51.7 -63.5 -42.1 -18.5 -13.5 2.9 23 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.897 110.2 49.4 -61.7 -38.7 -15.9 -15.2 0.9 24 23 A D H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.892 110.7 49.1 -68.9 -38.9 -18.5 -17.4 -0.7 25 24 A F H X S+ 0 0 27 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.912 109.9 53.3 -63.0 -41.6 -20.6 -14.3 -1.5 26 25 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.946 108.6 48.8 -56.7 -49.9 -17.4 -12.8 -3.0 27 26 A V H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.918 111.4 49.2 -57.4 -45.7 -16.9 -15.8 -5.2 28 27 A E H X S+ 0 0 82 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.924 114.9 44.7 -59.7 -43.6 -20.5 -15.7 -6.4 29 28 A Q H X S+ 0 0 24 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.873 112.7 50.0 -72.2 -38.7 -20.3 -12.0 -7.2 30 29 A W H X S+ 0 0 5 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.934 109.9 51.6 -63.6 -45.9 -16.9 -12.2 -8.9 31 30 A Q H < S+ 0 0 104 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.884 111.3 48.2 -55.7 -42.7 -18.1 -15.1 -11.0 32 31 A A H < S+ 0 0 88 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.879 118.1 39.1 -68.5 -38.1 -21.1 -13.1 -12.1 33 32 A A H < S+ 0 0 58 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.714 128.0 32.1 -85.3 -22.0 -19.1 -10.0 -12.9 34 33 A H >< + 0 0 50 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.2 -0.568 67.8 174.7-137.1 70.0 -16.2 -11.8 -14.5 35 34 A A T 3 S+ 0 0 97 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.751 76.5 52.4 -54.5 -33.7 -17.5 -14.9 -16.2 36 35 A G T 3 S+ 0 0 47 2,-0.1 -1,-0.3 -35,-0.0 2,-0.1 0.561 83.8 112.6 -81.3 -8.2 -14.2 -16.0 -17.8 37 36 A D < - 0 0 19 -3,-2.1 2,-0.8 -7,-0.2 -33,-0.2 -0.364 63.7-132.1 -73.9 144.3 -12.1 -15.9 -14.6 38 37 A Q E -a 4 0A 122 -35,-1.5 -33,-2.4 -2,-0.1 2,-0.4 -0.838 26.1-169.4 -97.0 109.3 -10.6 -19.0 -13.0 39 38 A I E +a 5 0A 35 -2,-0.8 2,-0.3 -35,-0.2 -33,-0.2 -0.808 7.3 179.9-100.6 133.7 -11.3 -19.1 -9.2 40 39 A T E -a 6 0A 70 -35,-2.8 -33,-2.8 -2,-0.4 2,-0.4 -0.967 11.7-151.5-128.0 156.2 -9.7 -21.5 -6.8 41 40 A V E -a 7 0A 74 -2,-0.3 2,-0.5 -35,-0.2 -33,-0.2 -0.979 7.5-168.2-130.9 130.4 -10.1 -21.8 -3.1 42 41 A R E -a 8 0A 23 -35,-3.1 -33,-2.2 -2,-0.4 2,-0.8 -0.977 11.2-155.7-118.9 116.7 -7.8 -23.0 -0.4 43 42 A D E > -a 9 0A 44 -2,-0.5 4,-2.1 -35,-0.2 -33,-0.2 -0.826 3.7-166.9 -94.7 107.7 -9.3 -23.6 3.0 44 43 A L T 4>S+ 0 0 0 -35,-2.9 5,-0.5 -2,-0.8 -34,-0.2 0.535 88.0 48.2 -77.1 -7.7 -6.5 -23.3 5.6 45 44 A A T 45S+ 0 0 33 -36,-0.2 -1,-0.2 3,-0.1 -35,-0.1 0.798 111.4 47.3 -91.8 -40.6 -8.7 -24.7 8.3 46 45 A A T 45S+ 0 0 72 1,-0.3 -2,-0.2 -37,-0.1 -36,-0.0 0.824 127.7 28.7 -71.6 -30.4 -9.9 -27.7 6.3 47 46 A Q T <5S- 0 0 129 -4,-2.1 -1,-0.3 2,-0.0 -2,-0.0 -0.754 96.0-149.3-127.2 83.3 -6.4 -28.5 5.1 48 47 A P T 5 - 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.198 3.9-137.4 -64.3 143.5 -4.2 -27.2 8.0 49 48 A I < - 0 0 7 -5,-0.5 59,-0.1 56,-0.2 60,-0.1 -0.807 33.6-107.0 -91.9 135.9 -0.7 -25.9 7.3 50 49 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.204 34.5 -98.8 -65.6 154.6 1.8 -27.1 9.9 51 50 A V - 0 0 87 1,-0.1 2,-0.9 60,-0.0 5,-0.2 -0.504 36.9-112.3 -66.2 134.8 3.3 -24.8 12.6 52 51 A L + 0 0 58 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.641 55.1 160.9 -69.7 107.9 6.7 -23.3 11.8 53 52 A D > - 0 0 61 -2,-0.9 4,-2.6 1,-0.0 5,-0.2 -0.539 56.9 -81.6-118.1-171.4 8.9 -25.0 14.4 54 53 A G H > S+ 0 0 63 1,-0.2 4,-1.0 2,-0.2 -2,-0.0 0.888 128.6 47.8 -61.9 -38.6 12.6 -25.6 14.7 55 54 A E H > S+ 0 0 65 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.942 115.2 43.4 -67.0 -47.3 12.5 -28.6 12.4 56 55 A L H > S+ 0 0 2 1,-0.2 4,-1.0 -5,-0.2 3,-0.3 0.842 105.4 60.5 -72.8 -31.7 10.5 -26.9 9.7 57 56 A V H >< S+ 0 0 55 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.883 104.3 52.8 -63.9 -32.2 12.3 -23.6 9.7 58 57 A G H >< S+ 0 0 9 -4,-1.0 3,-0.7 -5,-0.2 -1,-0.2 0.816 103.8 56.8 -68.8 -30.6 15.4 -25.6 8.8 59 58 A A H 3< S+ 0 0 4 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.725 102.3 56.1 -70.3 -22.6 13.6 -27.2 5.9 60 59 A L T << S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.514 98.2 68.9 -94.3 -6.7 12.8 -23.8 4.3 61 60 A R S < S- 0 0 146 -3,-0.7 56,-0.1 -4,-0.4 14,-0.0 -0.829 98.9 -90.2-110.2 151.1 16.3 -22.5 4.1 62 61 A P + 0 0 131 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.383 61.7 145.2 -56.3 131.2 19.0 -23.8 1.8 63 62 A S - 0 0 62 2,-0.1 3,-0.1 -4,-0.1 -4,-0.1 0.554 42.2-147.5-132.7 -49.4 20.9 -26.6 3.6 64 63 A G + 0 0 84 1,-0.3 2,-0.2 0, 0.0 3,-0.1 0.453 61.6 117.7 84.0 1.2 22.1 -29.4 1.3 65 64 A T S S- 0 0 97 1,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.522 78.5 -88.1 -93.1 164.5 21.7 -31.9 4.1 66 65 A A - 0 0 100 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.485 49.2-144.9 -64.5 144.3 19.3 -34.9 4.2 67 66 A L - 0 0 32 -2,-0.1 -1,-0.0 1,-0.1 -8,-0.0 -0.855 12.9-108.4-115.6 149.6 15.9 -33.8 5.6 68 67 A T > - 0 0 51 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.280 39.2-105.2 -65.2 160.3 13.4 -35.6 7.8 69 68 A P H > S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.926 124.2 49.5 -54.2 -42.6 10.2 -36.8 6.0 70 69 A R H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 110.6 50.9 -68.2 -31.3 8.3 -34.0 7.7 71 70 A Q H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 110.7 48.1 -64.5 -47.2 11.0 -31.5 6.6 72 71 A Q H X S+ 0 0 96 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.909 112.1 50.3 -58.2 -42.4 10.7 -32.7 3.0 73 72 A E H X S+ 0 0 132 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.888 111.0 48.0 -65.7 -38.4 6.9 -32.5 3.2 74 73 A A H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.882 110.9 50.5 -70.8 -38.8 7.1 -28.9 4.6 75 74 A L H X S+ 0 0 40 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 113.2 46.0 -63.8 -44.8 9.5 -27.8 1.9 76 75 A A H X S+ 0 0 58 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.894 113.7 49.5 -63.8 -39.2 7.3 -29.3 -0.8 77 76 A L H X S+ 0 0 33 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.942 110.9 48.9 -64.6 -47.9 4.2 -27.7 0.8 78 77 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.940 111.7 49.4 -56.5 -48.8 5.9 -24.3 1.0 79 78 A D H X S+ 0 0 77 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.911 112.1 49.1 -57.5 -43.1 7.0 -24.6 -2.7 80 79 A E H X S+ 0 0 104 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.928 111.7 47.4 -62.4 -47.3 3.4 -25.5 -3.7 81 80 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.886 113.8 48.1 -63.6 -40.0 1.8 -22.7 -1.8 82 81 A I H X S+ 0 0 10 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.922 110.9 49.9 -67.7 -43.8 4.3 -20.2 -3.3 83 82 A A H X S+ 0 0 59 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.900 110.7 51.7 -58.8 -40.7 3.8 -21.5 -6.8 84 83 A E H X S+ 0 0 41 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.919 110.1 47.9 -61.4 -44.9 0.1 -21.1 -6.2 85 84 A L H >< S+ 0 0 4 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.929 112.9 48.1 -62.3 -47.3 0.5 -17.5 -5.1 86 85 A Q H 3< S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.786 107.4 57.2 -65.1 -27.9 2.7 -16.7 -8.0 87 86 A A H 3< S+ 0 0 52 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.638 98.5 74.0 -79.0 -15.5 0.2 -18.3 -10.5 88 87 A N << - 0 0 4 -3,-0.9 -83,-0.2 -4,-0.8 3,-0.1 -0.708 57.7-162.3-105.8 153.5 -2.7 -16.1 -9.4 89 88 A D S S+ 0 0 65 -85,-2.7 46,-2.1 1,-0.3 2,-0.5 0.766 81.3 42.6-100.5 -36.8 -3.4 -12.5 -10.1 90 89 A V E -bc 5 135A 6 -86,-2.2 -84,-2.9 44,-0.2 2,-0.6 -0.976 68.0-164.0-119.8 123.6 -6.0 -11.7 -7.4 91 90 A I E -bc 6 136A 2 44,-3.1 46,-2.6 -2,-0.5 2,-0.6 -0.934 2.8-167.8-114.0 112.8 -5.5 -12.9 -3.9 92 91 A V E -bc 7 137A 0 -86,-3.4 -84,-3.3 -2,-0.6 2,-0.6 -0.901 6.6-169.8-105.3 120.7 -8.5 -12.8 -1.7 93 92 A I E -bc 8 138A 3 44,-3.0 46,-2.5 -2,-0.6 2,-0.8 -0.938 14.4-154.8-120.0 115.9 -7.7 -13.4 2.0 94 93 A A E + c 0 139A 0 -86,-3.0 -84,-0.3 -2,-0.6 46,-0.2 -0.793 24.9 169.7 -87.7 111.8 -10.4 -14.0 4.6 95 94 A A - 0 0 0 44,-2.9 46,-0.5 -2,-0.8 -1,-0.1 -0.647 10.2-174.6-130.8 76.1 -8.8 -12.9 7.8 96 95 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 44,-0.1 -0.335 35.1-105.2 -65.4 152.6 -11.1 -12.6 10.8 97 96 A M - 0 0 44 5,-0.1 2,-0.5 3,-0.1 5,-0.2 -0.706 36.8-176.5 -83.1 121.8 -9.6 -11.2 14.1 98 97 A Y B > S-E 101 0B 59 3,-2.8 3,-1.5 -2,-0.5 -1,-0.0 -0.965 73.5 -22.7-120.5 114.6 -8.9 -13.8 16.7 99 98 A N T 3 S- 0 0 156 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.900 125.4 -53.4 51.4 46.6 -7.6 -12.5 20.1 100 99 A F T 3 S+ 0 0 177 1,-0.3 -1,-0.3 -3,-0.0 46,-0.2 0.552 127.8 77.3 70.1 12.8 -6.3 -9.3 18.4 101 100 A N B < S-E 98 0B 74 -3,-1.5 -3,-2.8 1,-0.1 -1,-0.3 -0.695 89.7 -85.6-132.5-179.2 -4.3 -11.3 15.8 102 101 A I - 0 0 5 -2,-0.2 -5,-0.1 -5,-0.2 2,-0.1 -0.479 61.4 -80.5 -81.0 163.5 -5.0 -13.2 12.6 103 102 A P >> - 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.426 33.6-125.1 -62.3 146.5 -6.1 -16.8 12.8 104 103 A T H 3> S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.826 110.5 67.6 -58.6 -30.8 -3.2 -19.2 13.4 105 104 A Q H 3> S+ 0 0 51 -95,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.877 107.6 37.5 -57.3 -39.7 -4.5 -21.0 10.3 106 105 A L H <> S+ 0 0 0 -3,-0.9 4,-2.5 -96,-0.2 -1,-0.2 0.864 112.3 57.9 -79.2 -39.4 -3.5 -18.0 8.2 107 106 A K H X S+ 0 0 75 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.892 103.6 53.0 -59.1 -40.1 -0.3 -17.3 10.1 108 107 A N H X S+ 0 0 16 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.883 107.9 51.8 -64.4 -36.2 1.0 -20.8 9.4 109 108 A Y H >X S+ 0 0 3 -4,-0.9 4,-1.9 -5,-0.2 3,-0.8 0.952 109.8 48.9 -61.0 -50.4 0.4 -20.1 5.7 110 109 A F H 3X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.878 107.7 54.7 -55.0 -41.1 2.4 -16.9 6.0 111 110 A D H 3< S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.725 110.4 46.9 -71.2 -19.4 5.2 -18.7 7.7 112 111 A M H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.776 116.2 42.9 -86.9 -29.7 5.4 -21.1 4.8 113 112 A I H < S+ 0 0 2 -4,-1.9 2,-1.3 -5,-0.1 -2,-0.2 0.732 92.1 84.7 -92.0 -20.8 5.4 -18.5 2.1 114 113 A A < + 0 0 35 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.1 -0.655 59.5 150.3 -82.5 92.7 7.7 -15.9 3.6 115 114 A R >>> - 0 0 29 -2,-1.3 4,-2.3 -37,-0.1 3,-2.1 -0.977 46.8-121.8-133.8 122.6 11.1 -17.3 2.5 116 115 A A B 345S+f 120 0C 64 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.340 100.1 20.6 -62.8 135.4 14.2 -15.3 1.8 117 116 A G T 345S+ 0 0 56 3,-3.2 -1,-0.3 1,-0.1 4,-0.2 0.302 126.7 54.8 88.9 -8.0 15.5 -15.8 -1.7 118 117 A V T <45S+ 0 0 53 -3,-2.1 -2,-0.2 2,-0.5 3,-0.1 0.715 123.1 9.9-121.4 -57.7 12.0 -17.0 -2.9 119 118 A T T <5S+ 0 0 0 -4,-2.3 11,-2.8 1,-0.3 12,-0.7 0.520 138.8 12.2-106.9 -8.3 9.3 -14.5 -2.1 120 119 A F E < -fG 116 129C 25 -5,-1.0 -3,-3.2 9,-0.3 -2,-0.5 -0.961 67.7-169.0-151.9 160.9 11.7 -11.7 -1.0 121 120 A R E - G 0 128C 123 7,-2.3 7,-2.3 -2,-0.3 2,-0.4 -0.994 24.7-113.2-149.6 154.2 15.4 -11.1 -1.3 122 121 A Y E + G 0 127C 161 -2,-0.3 2,-0.2 5,-0.2 -2,-0.0 -0.734 35.0 179.5 -87.2 135.2 18.0 -8.8 0.0 123 122 A T E > - G 0 126C 50 3,-1.7 3,-1.5 -2,-0.4 0, 0.0 -0.687 49.4 -91.1-120.9 177.8 19.7 -6.4 -2.4 124 123 A E T 3 S+ 0 0 197 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.736 129.0 49.6 -62.6 -19.9 22.3 -3.8 -2.0 125 124 A K T 3 S- 0 0 190 1,-0.4 -1,-0.3 0, 0.0 -3,-0.0 -0.191 125.2 -85.2-112.4 39.4 19.4 -1.4 -1.5 126 125 A G E < S-G 123 0C 29 -3,-1.5 -3,-1.7 2,-0.0 -1,-0.4 -0.208 71.1 -30.1 90.0 179.7 17.5 -3.3 1.1 127 126 A P E -G 122 0C 63 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.357 54.7-168.1 -72.2 150.6 14.9 -6.1 0.8 128 127 A E E -G 121 0C 71 -7,-2.3 -7,-2.3 -2,-0.0 2,-0.2 -0.996 21.5-117.0-138.1 142.9 12.6 -6.3 -2.1 129 128 A G E -G 120 0C 19 -2,-0.3 -9,-0.3 27,-0.3 30,-0.2 -0.511 13.5-163.0 -77.8 147.7 9.5 -8.5 -2.6 130 129 A L S S+ 0 0 41 -11,-2.8 2,-1.0 28,-0.3 29,-0.2 0.367 70.5 87.7-111.7 0.3 9.4 -11.1 -5.4 131 130 A V + 0 0 0 27,-2.9 3,-0.4 -12,-0.7 2,-0.2 -0.776 68.1 170.3 -99.9 86.4 5.6 -11.6 -5.5 132 131 A T + 0 0 93 -2,-1.0 28,-0.1 1,-0.2 -2,-0.1 -0.591 41.3 30.0-106.0 159.3 4.9 -8.9 -8.0 133 132 A G S S+ 0 0 74 26,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.674 84.3 138.0 73.6 21.5 1.9 -7.7 -10.1 134 133 A K - 0 0 22 -3,-0.4 28,-0.5 25,-0.2 2,-0.4 -0.632 44.9-151.0-101.7 156.7 -0.7 -8.9 -7.6 135 134 A R E -cd 90 162A 58 -46,-2.1 -44,-3.1 -2,-0.2 2,-0.5 -0.996 16.5-162.2-120.9 125.0 -3.9 -7.5 -6.2 136 135 A A E -cd 91 163A 0 26,-3.2 28,-2.8 -2,-0.4 2,-0.5 -0.942 7.0-168.8-114.3 132.0 -4.9 -8.5 -2.7 137 136 A I E -cd 92 164A 0 -46,-2.6 -44,-3.0 -2,-0.5 2,-0.6 -0.983 10.8-157.2-117.7 121.4 -8.4 -8.2 -1.3 138 137 A I E -cd 93 165A 0 26,-3.2 28,-2.9 -2,-0.5 2,-0.7 -0.913 5.0-160.5-107.7 122.4 -8.7 -8.7 2.5 139 138 A L E +cd 94 166A 1 -46,-2.5 -44,-2.9 -2,-0.6 2,-0.2 -0.890 36.6 143.2 -99.0 109.5 -12.0 -9.7 4.0 140 139 A T E - d 0 167A 5 26,-2.9 28,-2.8 -2,-0.7 2,-0.3 -0.712 43.6-117.8-138.6-172.2 -11.8 -8.9 7.7 141 140 A S - 0 0 30 -46,-0.5 2,-0.3 26,-0.2 28,-0.1 -0.861 22.0-151.2-128.4 158.0 -13.6 -7.7 10.8 142 141 A R 0 0 142 -2,-0.3 -45,-0.0 26,-0.3 25,-0.0 -0.918 360.0 360.0-132.6 162.0 -13.0 -4.6 13.0 143 142 A G 0 0 117 -2,-0.3 -2,-0.0 0, 0.0 -1,-0.0 -0.285 360.0 360.0-127.7 360.0 -13.6 -3.6 16.6 144 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 145 151 A D 0 0 92 0, 0.0 -44,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 103.0 -7.0 -2.8 15.2 146 152 A L > + 0 0 138 -46,-0.2 4,-1.8 2,-0.1 5,-0.1 0.557 360.0 79.0-105.5 -13.6 -3.4 -3.8 14.6 147 153 A V H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 90.0 55.8 -60.3 -40.5 -4.2 -6.7 12.3 148 154 A V H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.959 108.8 42.3 -63.8 -53.7 -4.7 -4.3 9.3 149 155 A P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.865 114.2 55.1 -63.3 -29.7 -1.4 -2.6 9.4 150 156 A Y H X S+ 0 0 71 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.940 107.5 48.0 -64.8 -47.4 0.3 -5.9 10.0 151 157 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.906 112.3 49.4 -59.7 -40.9 -1.3 -7.4 6.9 152 158 A R H X S+ 0 0 120 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.915 113.8 46.6 -63.9 -41.7 -0.3 -4.4 4.8 153 159 A L H X S+ 0 0 128 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.929 114.5 45.3 -65.5 -49.1 3.3 -4.7 6.1 154 160 A F H X S+ 0 0 34 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.942 116.2 44.5 -61.8 -50.6 3.6 -8.4 5.6 155 161 A L H <>S+ 0 0 4 -4,-2.4 5,-2.8 -5,-0.2 4,-0.4 0.893 113.0 53.0 -63.0 -38.0 2.1 -8.4 2.1 156 162 A G H ><5S+ 0 0 28 -4,-2.1 3,-1.4 -5,-0.3 -27,-0.3 0.890 102.1 59.2 -62.6 -38.2 4.1 -5.4 1.1 157 163 A F H 3<5S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.1 45.9 -62.1 -34.6 7.3 -7.1 2.2 158 164 A I T 3<5S- 0 0 1 -4,-1.3 -27,-2.9 -3,-0.3 -28,-0.3 0.429 132.6 -90.5 -89.6 2.0 6.7 -9.9 -0.3 159 165 A G T < 5S+ 0 0 21 -3,-1.4 2,-0.9 -4,-0.4 -26,-0.3 0.400 85.5 126.3 114.1 -1.8 5.9 -7.4 -3.0 160 166 A I < + 0 0 2 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.1 -0.796 14.0 154.6 -96.0 105.2 2.1 -6.8 -2.8 161 167 A T + 0 0 123 -2,-0.9 2,-1.6 -27,-0.2 -1,-0.2 0.658 56.0 83.2 -99.2 -23.0 1.3 -3.1 -2.5 162 168 A D E +d 135 0A 65 -28,-0.5 -26,-3.2 2,-0.0 2,-0.5 -0.678 61.5 156.6 -81.7 87.8 -2.2 -3.2 -4.0 163 169 A V E -d 136 0A 10 -2,-1.6 2,-0.5 -28,-0.2 -26,-0.2 -0.981 21.0-171.7-122.8 122.8 -3.9 -4.3 -0.8 164 170 A E E -d 137 0A 49 -28,-2.8 -26,-3.2 -2,-0.5 2,-0.4 -0.957 8.6-152.2-122.7 119.6 -7.6 -3.5 -0.4 165 171 A F E -d 138 0A 34 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.746 8.2-170.0 -98.9 138.3 -9.4 -4.1 2.9 166 172 A V E -d 139 0A 12 -28,-2.9 -26,-2.9 -2,-0.4 2,-0.6 -0.995 10.5-153.3-122.5 127.9 -13.1 -4.8 3.3 167 173 A F E -d 140 0A 37 -2,-0.4 2,-1.9 -28,-0.2 -26,-0.2 -0.904 14.6-136.2-107.5 115.7 -14.6 -4.7 6.8 168 174 A A - 0 0 13 -28,-2.8 2,-3.7 -2,-0.6 -26,-0.3 -0.481 18.1-162.2 -67.8 85.4 -17.7 -6.9 7.4 169 175 A E S S- 0 0 136 -2,-1.9 -1,-0.1 1,-0.2 -28,-0.1 -0.182 73.7 -51.9 -69.9 53.3 -19.7 -4.3 9.3 170 176 A G S > S+ 0 0 33 -2,-3.7 3,-1.5 1,-0.3 4,-0.2 0.139 95.2 148.2 101.9 -18.5 -21.9 -7.0 10.7 171 177 A I T 3 S+ 0 0 21 1,-0.3 -1,-0.3 2,-0.1 -149,-0.1 -0.277 76.0 2.9 -57.3 126.3 -22.8 -8.6 7.4 172 178 A A T 3 S+ 0 0 1 2,-0.1 -1,-0.3 -151,-0.1 -151,-0.2 0.836 87.9 142.2 65.2 36.3 -23.4 -12.4 7.8 173 179 A Y < - 0 0 153 -3,-1.5 -155,-0.2 1,-0.1 -2,-0.1 0.947 65.1 -49.4 -70.1 -52.2 -22.9 -12.2 11.5 174 180 A G S S+ 0 0 25 -4,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.808 100.0 11.9-162.2-160.3 -25.5 -14.7 12.6 175 181 A P + 0 0 131 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.063 68.5 166.7 -34.1 124.1 -29.1 -15.9 12.3 176 182 A E - 0 0 51 -3,-0.1 3,-0.1 -4,-0.1 5,-0.1 -0.981 42.3-103.1-154.8 131.6 -30.7 -14.1 9.3 177 183 A V > - 0 0 111 -2,-0.3 3,-1.3 1,-0.1 4,-0.5 -0.192 62.1 -85.1 -47.5 143.1 -33.8 -14.3 7.1 178 184 A A T 3 S+ 0 0 77 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.167 109.8 18.8 -60.2 151.5 -32.9 -15.8 3.8 179 185 A T T 3> S+ 0 0 113 -3,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.063 100.2 95.7 76.3 -19.0 -31.5 -13.6 1.0 180 186 A K H <> S+ 0 0 95 -3,-1.3 4,-2.7 2,-0.2 5,-0.2 0.934 80.8 45.3 -72.3 -49.6 -30.5 -10.8 3.4 181 187 A A H > S+ 0 0 10 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.924 113.8 53.2 -59.3 -41.0 -26.8 -11.4 4.1 182 188 A Q H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 110.7 45.3 -60.8 -43.8 -26.3 -12.0 0.4 183 189 A A H X S+ 0 0 50 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.923 113.5 49.1 -67.1 -44.3 -27.9 -8.7 -0.5 184 190 A D H X S+ 0 0 53 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.888 110.1 52.8 -62.0 -37.9 -26.0 -6.8 2.2 185 191 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.838 103.0 57.5 -65.9 -34.4 -22.8 -8.5 0.9 186 192 A K H X S+ 0 0 109 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.922 109.8 44.9 -62.0 -42.8 -23.5 -7.3 -2.6 187 193 A T H >< S+ 0 0 113 -4,-1.7 3,-0.7 1,-0.2 4,-0.4 0.937 115.7 48.0 -62.3 -47.7 -23.5 -3.7 -1.4 188 194 A L H 3< S+ 0 0 43 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.897 118.2 37.7 -60.1 -45.0 -20.4 -4.4 0.7 189 195 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.390 85.4 102.8 -94.4 2.4 -18.3 -6.0 -2.0 190 196 A A H