==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-SEP-99 1D03 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR C.L.DRENNAN,K.A.PATTRIDGE,C.H.WEBER,A.L.METZGER,D.M.HOOVER,M . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.3 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 3 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 56 0, 0.0 29,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 164.0 37.1 48.5 -6.5 2 2 A K + 0 0 148 27,-0.4 47,-0.9 28,-0.3 46,-0.6 0.850 360.0 54.4 -72.1 -36.8 39.4 51.6 -6.7 3 3 A I E S-ab 31 49A 1 27,-1.8 29,-2.7 45,-0.1 2,-0.6 -0.861 70.3-157.1-105.9 131.4 42.4 49.5 -7.9 4 4 A G E -ab 32 50A 0 45,-2.3 47,-2.3 -2,-0.4 2,-0.6 -0.937 5.3-164.0-110.3 119.2 42.3 47.3 -11.0 5 5 A L E -ab 33 51A 0 27,-3.0 29,-2.6 -2,-0.6 2,-0.5 -0.916 6.1-174.0-105.9 121.1 44.8 44.5 -11.3 6 6 A F E +ab 34 52A 1 45,-2.8 47,-3.0 -2,-0.6 2,-0.3 -0.960 11.8 169.1-115.2 123.9 45.2 43.0 -14.7 7 7 A Y E -ab 35 53A 17 27,-2.1 29,-3.2 -2,-0.5 30,-0.4 -0.897 22.5-155.4-132.1 164.8 47.4 39.9 -15.1 8 8 A G - 0 0 0 45,-1.1 2,-0.3 -2,-0.3 6,-0.1 -0.964 17.7-177.6-134.5 146.9 48.3 37.3 -17.6 9 9 A T - 0 0 24 -2,-0.3 56,-0.1 1,-0.1 28,-0.0 -0.999 24.4-177.6-150.4 147.6 49.7 33.9 -16.8 10 10 A Q S S+ 0 0 98 -2,-0.3 -1,-0.1 54,-0.0 47,-0.0 0.746 95.2 18.1-109.7 -46.2 50.8 30.8 -18.6 11 11 A T S S- 0 0 104 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.184 110.2-105.9-111.2 14.4 51.7 28.3 -15.8 12 12 A G S > S+ 0 0 24 1,-0.0 4,-1.7 3,-0.0 5,-0.1 0.280 88.6 112.5 85.9 -10.1 49.7 30.0 -13.1 13 13 A V H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.945 78.6 50.7 -62.5 -47.8 52.5 31.6 -11.0 14 14 A T H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.867 108.1 53.8 -59.1 -36.0 51.6 35.2 -11.9 15 15 A Q H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 107.2 51.0 -65.0 -40.2 48.0 34.6 -11.0 16 16 A T H X S+ 0 0 78 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.899 111.0 48.1 -62.8 -41.0 49.1 33.3 -7.6 17 17 A I H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 109.4 53.4 -65.9 -41.9 51.2 36.5 -7.1 18 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.895 108.1 50.5 -58.6 -43.2 48.1 38.6 -8.2 19 19 A E H X S+ 0 0 85 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.895 110.2 49.4 -64.5 -37.9 46.0 36.9 -5.5 20 20 A S H X S+ 0 0 28 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.881 109.9 50.9 -68.3 -39.3 48.6 37.6 -2.8 21 21 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.950 110.0 50.1 -62.3 -46.1 48.8 41.2 -3.8 22 22 A Q H X>S+ 0 0 27 -4,-2.5 5,-2.7 1,-0.2 4,-1.0 0.931 111.4 49.5 -56.9 -46.5 45.0 41.5 -3.6 23 23 A Q H ><5S+ 0 0 135 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.936 108.4 51.7 -60.0 -46.9 45.1 39.9 -0.2 24 24 A E H 3<5S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.1 54.2 -60.5 -32.8 47.8 42.3 1.1 25 25 A F H 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.695 131.8 -89.9 -73.1 -22.1 45.8 45.3 -0.0 26 26 A G T <<5 - 0 0 50 -3,-1.1 3,-0.4 -4,-1.0 -3,-0.2 0.494 65.7 -88.7 124.6 5.1 42.8 44.1 1.9 27 27 A G S >> -a 7 0A 39 -2,-0.4 3,-1.8 -29,-0.2 -27,-0.2 -0.697 15.3-143.8 -79.3 122.5 42.7 38.1 -16.1 36 36 A I G > S+ 0 0 4 -29,-3.2 3,-1.6 -2,-0.5 -1,-0.2 0.769 96.2 72.0 -59.5 -25.3 43.8 40.0 -19.2 37 37 A A G 3 S+ 0 0 46 -30,-0.4 -1,-0.3 1,-0.3 -29,-0.1 0.807 104.9 38.3 -59.2 -29.9 42.8 36.9 -21.3 38 38 A N G < S+ 0 0 142 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.151 103.7 94.3-107.4 16.3 39.1 37.8 -20.6 39 39 A A < - 0 0 15 -3,-1.6 2,-0.3 -5,-0.1 3,-0.0 -0.776 61.7-140.5-115.0 154.8 39.3 41.5 -20.8 40 40 A D > - 0 0 111 -2,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.828 34.8-113.6-101.9 149.2 38.8 44.2 -23.5 41 41 A A G > S+ 0 0 9 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.877 115.7 65.0 -51.4 -36.9 41.3 47.1 -23.6 42 42 A S G > S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.711 84.2 74.4 -60.6 -22.4 38.4 49.4 -22.6 43 43 A D G X S+ 0 0 65 -3,-2.3 3,-0.9 1,-0.3 -1,-0.3 0.815 86.8 63.2 -60.9 -29.7 38.1 47.6 -19.2 44 44 A L G X S+ 0 0 0 -3,-1.9 3,-1.0 -4,-0.4 -1,-0.3 0.703 89.0 70.3 -68.9 -17.5 41.3 49.3 -18.2 45 45 A N G < S+ 0 0 66 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.801 82.6 72.4 -67.9 -30.7 39.5 52.7 -18.5 46 46 A A G < S+ 0 0 81 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.2 0.532 90.6 66.2 -64.7 -9.4 37.4 52.0 -15.4 47 47 A Y < - 0 0 27 -3,-1.0 -44,-0.1 -4,-0.1 3,-0.1 -0.919 55.7-161.3-121.3 144.4 40.2 52.5 -12.9 48 48 A D S S+ 0 0 110 -46,-0.6 34,-1.6 -2,-0.4 2,-0.4 0.675 90.9 45.2 -88.7 -19.1 42.3 55.4 -11.8 49 49 A Y E S-bc 3 82A 61 -47,-0.9 -45,-2.3 32,-0.2 2,-0.3 -0.994 74.1-173.9-126.8 130.2 44.9 53.1 -10.4 50 50 A L E -bc 4 83A 0 32,-2.2 34,-2.5 -2,-0.4 2,-0.4 -0.923 17.3-162.1-126.1 147.9 46.2 50.0 -12.2 51 51 A I E -bc 5 84A 0 -47,-2.3 -45,-2.8 -2,-0.3 2,-0.6 -0.998 15.6-161.7-126.4 122.4 48.5 47.1 -11.4 52 52 A I E -bc 6 85A 2 32,-2.8 34,-2.2 -2,-0.4 2,-0.5 -0.933 6.4-171.1-110.1 118.7 49.8 45.3 -14.4 53 53 A G E +bc 7 86A 0 -47,-3.0 -45,-1.1 -2,-0.6 34,-0.2 -0.916 13.5 156.8-114.7 134.6 51.2 41.8 -14.0 54 54 A C - 0 0 0 32,-2.0 48,-0.3 -2,-0.5 34,-0.2 -0.932 28.3-144.1-159.1 125.8 53.0 39.7 -16.6 55 55 A P - 0 0 9 0, 0.0 8,-0.6 0, 0.0 2,-0.5 -0.485 30.3-115.3 -81.6 158.8 55.5 36.8 -16.6 56 56 A T E +F 62 0B 28 32,-1.7 2,-0.2 -2,-0.1 6,-0.2 -0.859 41.6 169.3-100.5 131.4 58.3 36.8 -19.3 57 57 A W E > +F 61 0B 94 4,-2.4 4,-2.9 -2,-0.5 44,-0.0 -0.699 48.1 33.6-129.0 179.0 58.2 33.9 -21.8 58 58 A G T 4 S- 0 0 45 -2,-0.2 -1,-0.1 2,-0.2 4,-0.1 0.697 125.4 -58.4 44.0 34.6 59.8 32.8 -25.1 59 59 A V T 4 S- 0 0 92 2,-0.1 -1,-0.2 1,-0.1 39,-0.1 0.998 125.6 -8.8 60.4 74.5 63.2 34.4 -24.3 60 60 A G T 4 S+ 0 0 10 37,-0.3 2,-0.3 1,-0.3 -2,-0.2 0.677 106.7 122.2 85.9 22.0 62.3 38.0 -23.7 61 61 A E E < -F 57 0B 108 -4,-2.9 -4,-2.4 1,-0.1 40,-0.3 -0.732 63.7 -99.2-117.1 163.3 58.7 38.1 -24.9 62 62 A L E -F 56 0B 11 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.421 47.6 -96.3 -72.4 149.9 55.3 39.0 -23.5 63 63 A Q >> - 0 0 2 -8,-0.6 4,-2.2 1,-0.1 3,-1.0 -0.425 46.7-107.0 -61.8 144.0 53.0 36.2 -22.1 64 64 A S H 3> S+ 0 0 70 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.776 115.6 53.0 -50.7 -38.1 50.6 35.4 -25.0 65 65 A D H 3> S+ 0 0 58 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.856 112.3 45.5 -69.4 -34.4 47.5 37.0 -23.6 66 66 A W H <> S+ 0 0 0 -3,-1.0 4,-1.6 2,-0.2 3,-0.3 0.874 109.7 55.9 -72.8 -37.0 49.3 40.3 -23.1 67 67 A E H < S+ 0 0 96 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.929 104.8 55.1 -58.3 -42.5 50.8 40.0 -26.6 68 68 A G H < S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.822 115.1 35.1 -62.7 -33.5 47.3 39.7 -27.9 69 69 A I H >X S+ 0 0 12 -4,-1.0 3,-1.8 -3,-0.3 4,-0.6 0.592 89.5 99.5 -98.9 -9.0 46.0 43.0 -26.4 70 70 A Y G >< S+ 0 0 51 -4,-1.6 3,-1.2 -3,-0.3 4,-0.3 0.825 80.1 52.1 -46.3 -46.0 49.2 44.9 -26.8 71 71 A D G 34 S+ 0 0 123 -4,-0.5 3,-0.5 1,-0.2 -1,-0.3 0.737 105.0 56.8 -67.7 -21.8 48.2 46.8 -30.0 72 72 A D G X4 S+ 0 0 85 -3,-1.8 3,-1.6 1,-0.2 4,-0.3 0.548 80.1 88.5 -85.9 -7.5 44.9 47.9 -28.4 73 73 A L G X< S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.6 -1,-0.2 0.857 76.8 68.5 -59.4 -30.9 46.7 49.7 -25.5 74 74 A D G 3 S+ 0 0 97 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.713 94.7 55.4 -57.9 -27.6 46.9 52.8 -27.7 75 75 A S G < S+ 0 0 91 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.3 0.531 87.4 98.8 -87.1 -5.4 43.1 53.3 -27.5 76 76 A V S < S- 0 0 10 -3,-1.8 2,-1.5 -4,-0.3 3,-0.1 -0.612 79.9-121.6 -85.4 138.6 43.0 53.3 -23.7 77 77 A N + 0 0 101 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.618 47.7 155.5 -79.6 92.5 42.9 56.6 -21.8 78 78 A F > + 0 0 1 -2,-1.5 3,-2.1 34,-0.4 -1,-0.2 0.458 22.9 133.2 -94.2 -4.3 46.0 56.3 -19.7 79 79 A Q T 3 S- 0 0 145 1,-0.3 35,-0.2 -3,-0.1 34,-0.1 -0.292 83.6 -7.2 -56.1 117.1 46.5 60.0 -19.3 80 80 A G T 3 S+ 0 0 63 33,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.500 97.5 135.6 77.9 2.0 47.2 60.8 -15.6 81 81 A K < - 0 0 13 -3,-2.1 34,-2.9 32,-0.1 2,-0.5 -0.586 53.8-129.7 -82.4 147.3 46.6 57.3 -14.3 82 82 A K E -cd 49 115A 53 -34,-1.6 -32,-2.2 -2,-0.2 2,-0.4 -0.860 29.2-171.6 -96.0 131.0 49.1 55.8 -11.9 83 83 A V E -cd 50 116A 0 32,-2.5 34,-2.4 -2,-0.5 2,-0.3 -0.990 10.3-170.0-130.2 131.4 50.2 52.4 -12.9 84 84 A A E -c 51 0A 0 -34,-2.5 -32,-2.8 -2,-0.4 2,-0.3 -0.840 12.3-154.1-114.1 157.3 52.4 49.8 -11.0 85 85 A Y E +c 52 0A 1 32,-0.4 56,-1.9 54,-0.4 2,-0.3 -0.949 15.0 175.7-134.2 149.9 53.9 46.6 -12.5 86 86 A F E +ce 53 141A 1 -34,-2.2 -32,-2.0 -2,-0.3 2,-0.3 -0.976 7.4 179.9-146.3 157.6 55.0 43.2 -11.4 87 87 A G E - e 0 142A 0 54,-2.1 56,-2.7 -2,-0.3 2,-0.4 -0.987 24.1-130.0-155.6 159.8 56.2 40.1 -13.1 88 88 A A E + e 0 143A 10 -2,-0.3 -32,-1.7 54,-0.2 2,-0.3 -0.921 40.5 149.4-110.9 139.9 57.5 36.6 -12.6 89 89 A G - 0 0 10 54,-1.8 57,-0.5 -2,-0.4 2,-0.5 -0.929 45.3-114.6-157.4 178.9 60.7 35.5 -14.2 90 90 A D > - 0 0 33 -2,-0.3 4,-2.0 54,-0.1 7,-0.2 -0.935 19.9-173.4-130.5 102.5 63.8 33.2 -13.9 91 91 A Q T 4 S+ 0 0 10 -2,-0.5 37,-0.2 2,-0.2 7,-0.1 0.671 84.4 48.4 -71.5 -21.6 67.0 35.1 -13.4 92 92 A V T >4 S+ 0 0 101 2,-0.1 3,-0.8 1,-0.1 -1,-0.2 0.940 118.0 36.3 -82.8 -55.4 69.2 32.0 -13.6 93 93 A G T 34 S+ 0 0 47 1,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.790 132.1 29.9 -67.9 -30.5 67.8 30.5 -16.7 94 94 A Y T >< + 0 0 115 -4,-2.0 3,-1.7 1,-0.1 -1,-0.3 -0.362 69.0 152.2-130.3 57.5 67.2 33.8 -18.5 95 95 A S T < S+ 0 0 25 -3,-0.8 34,-2.2 1,-0.3 33,-1.9 0.697 76.4 48.3 -58.8 -25.7 69.9 36.0 -17.1 96 96 A D T 3 S+ 0 0 96 32,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.475 121.1 33.8 -95.3 -5.8 69.9 38.2 -20.3 97 97 A N S X S+ 0 0 43 -3,-1.7 3,-1.6 -7,-0.2 2,-0.3 -0.028 77.6 161.3-138.0 32.5 66.1 38.6 -20.5 98 98 A F T 3 S- 0 0 1 31,-1.4 34,-0.5 -3,-0.3 33,-0.1 -0.404 77.5 -14.4 -65.1 119.4 65.1 38.8 -16.8 99 99 A Q T 3> S+ 0 0 0 -2,-0.3 4,-1.6 31,-0.1 3,-0.5 0.721 85.2 149.9 62.3 24.8 61.6 40.3 -16.5 100 100 A D H <> + 0 0 4 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.885 64.5 60.1 -54.8 -39.7 61.7 41.7 -20.0 101 101 A A H > S+ 0 0 0 -40,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.894 102.9 50.2 -57.3 -44.8 57.9 41.5 -20.4 102 102 A M H > S+ 0 0 1 -3,-0.5 4,-2.3 -48,-0.3 -1,-0.2 0.917 112.2 49.6 -59.1 -41.3 57.3 43.9 -17.5 103 103 A G H X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.901 108.7 51.9 -65.2 -42.1 59.8 46.3 -19.1 104 104 A I H X S+ 0 0 30 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.913 112.1 45.6 -61.9 -44.6 58.1 46.0 -22.5 105 105 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.924 112.6 49.7 -66.0 -44.4 54.6 46.8 -21.0 106 106 A E H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.906 108.1 53.2 -62.9 -41.8 55.9 49.7 -18.9 107 107 A E H X S+ 0 0 125 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.944 115.5 41.4 -58.9 -44.2 57.7 51.3 -21.8 108 108 A K H < S+ 0 0 38 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.951 118.7 43.0 -67.7 -51.9 54.5 51.2 -23.9 109 109 A I H ><>S+ 0 0 0 -4,-3.2 3,-1.2 1,-0.2 5,-0.9 0.868 112.0 52.6 -67.7 -35.6 52.1 52.3 -21.2 110 110 A S H ><5S+ 0 0 31 -4,-2.9 3,-1.1 -5,-0.3 -1,-0.2 0.817 103.0 60.3 -71.1 -23.8 54.3 55.0 -19.8 111 111 A S T 3<5S+ 0 0 87 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.588 94.2 66.4 -78.3 -6.2 54.6 56.5 -23.3 112 112 A L T < 5S- 0 0 46 -3,-1.2 -34,-0.4 -4,-0.3 -1,-0.3 0.116 127.3 -89.4-101.0 20.3 50.8 56.9 -23.3 113 113 A G T < 5S+ 0 0 35 -3,-1.1 -33,-2.6 1,-0.3 2,-0.2 0.627 83.7 131.1 87.6 15.0 50.8 59.5 -20.6 114 114 A S < - 0 0 16 -5,-0.9 2,-0.5 -35,-0.2 -1,-0.3 -0.483 55.6-120.0 -92.8 170.5 50.5 57.5 -17.4 115 115 A Q E -d 82 0A 101 -34,-2.9 -32,-2.5 -37,-0.2 2,-0.3 -0.953 20.7-137.2-115.4 119.4 52.7 57.8 -14.4 116 116 A T E +d 83 0A 14 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.604 27.7 178.1 -76.7 136.3 54.7 54.7 -13.3 117 117 A V + 0 0 3 -34,-2.4 -32,-0.4 -2,-0.3 46,-0.1 -0.930 47.0 52.1-136.7 149.0 54.7 54.1 -9.6 118 118 A G - 0 0 11 -2,-0.3 -1,-0.1 -34,-0.1 -33,-0.1 0.780 60.1-173.3 97.7 29.4 56.3 51.4 -7.5 119 119 A Y - 0 0 87 -3,-0.1 20,-0.2 21,-0.1 -1,-0.1 -0.172 9.5-154.7 -54.9 149.5 60.0 51.2 -8.5 120 120 A W E -G 138 0C 18 18,-2.2 18,-3.2 20,-0.2 20,-0.2 -0.973 16.9-104.4-134.3 142.8 61.9 48.4 -7.0 121 121 A P E -G 137 0C 63 0, 0.0 3,-0.4 0, 0.0 16,-0.2 -0.332 14.8-153.9 -69.9 143.2 65.6 47.8 -6.2 122 122 A I S > S+ 0 0 27 14,-0.7 3,-1.6 1,-0.2 15,-0.1 0.609 75.1 89.5 -89.3 -11.2 67.8 45.5 -8.4 123 123 A E T 3 S+ 0 0 137 1,-0.3 -1,-0.2 3,-0.1 14,-0.0 0.698 76.2 64.0 -62.6 -22.0 70.3 44.6 -5.7 124 124 A G T 3 S+ 0 0 45 -3,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.296 100.2 65.2 -86.0 13.7 68.4 41.5 -4.4 125 125 A Y < - 0 0 21 -3,-1.6 2,-0.5 2,-0.1 -3,-0.0 -0.887 67.3-143.3-132.0 163.8 68.8 39.8 -7.8 126 126 A D + 0 0 128 -2,-0.3 2,-0.3 0, 0.0 -3,-0.1 -0.958 46.0 126.1-131.0 106.8 71.6 38.4 -9.9 127 127 A F - 0 0 36 -2,-0.5 -31,-0.1 1,-0.1 3,-0.1 -0.976 50.7-137.6-155.6 162.1 71.1 38.9 -13.7 128 128 A N S S+ 0 0 100 -33,-1.9 2,-0.3 1,-0.3 -32,-0.2 0.920 80.4 7.1 -91.7 -53.1 72.9 40.4 -16.7 129 129 A E + 0 0 131 -34,-2.2 -31,-1.4 3,-0.0 2,-0.3 -0.969 55.5 172.1-136.8 151.6 70.3 42.3 -18.7 130 130 A S > - 0 0 17 -2,-0.3 3,-1.1 -33,-0.2 -31,-0.1 -0.945 30.0-149.5-158.1 133.0 66.7 43.3 -18.3 131 131 A K T 3 S+ 0 0 136 -2,-0.3 -31,-0.1 1,-0.2 -24,-0.1 0.561 98.6 68.8 -77.2 -5.9 64.4 45.6 -20.3 132 132 A A T 3 S+ 0 0 0 -34,-0.5 7,-2.2 -29,-0.1 2,-0.5 0.351 78.0 98.8 -92.8 4.0 62.6 46.3 -17.0 133 133 A V E < +H 138 0C 44 -3,-1.1 2,-0.4 5,-0.2 5,-0.2 -0.843 44.1 172.3-100.2 124.8 65.6 48.3 -15.5 134 134 A R E > S-H 137 0C 107 3,-3.1 3,-0.9 -2,-0.5 -3,-0.0 -0.994 71.6 -14.8-130.7 122.9 65.5 52.1 -15.7 135 135 A N T 3 S- 0 0 155 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.927 129.8 -49.4 49.7 52.5 68.2 54.1 -13.9 136 136 A N T 3 S+ 0 0 99 1,-0.2 -14,-0.7 -3,-0.1 2,-0.3 0.696 122.8 91.2 61.6 26.2 69.4 51.2 -11.8 137 137 A Q E < S-GH 121 134C 76 -3,-0.9 -3,-3.1 -16,-0.2 2,-0.2 -0.979 77.3-112.2-143.2 154.1 66.0 50.2 -10.6 138 138 A F E -GH 120 133C 0 -18,-3.2 -18,-2.2 -2,-0.3 -5,-0.2 -0.621 25.4-129.3 -81.4 147.9 63.2 47.8 -11.8 139 139 A V S S- 0 0 0 -7,-2.2 -54,-0.4 -2,-0.2 2,-0.3 0.574 85.4 -7.5 -73.9 -8.0 60.1 49.6 -13.0 140 140 A G S S- 0 0 0 -8,-0.3 2,-0.4 -20,-0.2 -54,-0.2 -0.953 101.8 -41.3-166.4-173.5 58.1 47.2 -10.7 141 141 A L E -e 86 0A 0 -56,-1.9 -54,-2.1 -2,-0.3 2,-0.6 -0.469 48.2-155.2 -70.6 120.7 58.1 44.2 -8.4 142 142 A A E -e 87 0A 0 -2,-0.4 2,-0.4 -56,-0.2 -54,-0.2 -0.866 11.9-172.2 -99.2 118.3 60.3 41.4 -9.7 143 143 A I E -e 88 0A 0 -56,-2.7 -54,-1.8 -2,-0.6 2,-0.4 -0.899 9.8-172.6-111.1 140.1 59.3 38.0 -8.4 144 144 A D > + 0 0 0 -2,-0.4 4,-2.2 4,-0.3 7,-0.2 -0.814 13.1 167.3-133.4 93.3 61.3 34.8 -9.1 145 145 A E T 4 S+ 0 0 68 -2,-0.4 -1,-0.1 -56,-0.2 -55,-0.1 0.724 76.7 62.2 -76.1 -23.0 59.5 31.7 -7.8 146 146 A D T 4 S+ 0 0 114 -57,-0.5 -1,-0.2 2,-0.1 -56,-0.1 0.887 125.6 8.3 -71.2 -36.6 62.0 29.5 -9.7 147 147 A N T 4 S+ 0 0 65 1,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.604 138.3 32.1-121.1 -19.8 65.0 30.6 -7.8 148 148 A Q >X + 0 0 34 -4,-2.2 3,-2.0 1,-0.1 4,-0.7 -0.176 61.4 142.2-135.3 48.8 63.9 32.7 -4.9 149 149 A P G >4 S+ 0 0 65 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.812 71.1 64.3 -60.3 -27.0 60.5 31.4 -3.7 150 150 A D G 34 S+ 0 0 134 1,-0.2 4,-0.3 2,-0.1 -5,-0.1 0.617 101.0 50.2 -72.0 -12.8 61.4 32.1 -0.1 151 151 A L G <> S+ 0 0 65 -3,-2.0 4,-2.2 -7,-0.2 -1,-0.2 0.613 87.3 88.0 -99.1 -13.7 61.6 35.9 -0.7 152 152 A T H S+ 0 0 89 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.935 115.3 42.5 -57.3 -47.9 56.0 36.8 0.6 154 154 A N H > S+ 0 0 103 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.838 111.6 55.2 -71.0 -29.8 58.1 39.5 2.1 155 155 A R H X S+ 0 0 19 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.951 111.6 43.8 -65.4 -47.3 58.7 41.2 -1.3 156 156 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.938 113.4 51.7 -62.7 -45.9 54.9 41.4 -1.9 157 157 A K H X S+ 0 0 80 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.951 114.6 42.9 -55.4 -49.3 54.3 42.6 1.7 158 158 A T H X S+ 0 0 51 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.916 115.0 48.5 -63.9 -46.5 57.0 45.3 1.3 159 159 A W H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.928 111.0 49.1 -63.4 -45.8 55.9 46.4 -2.2 160 160 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.912 108.6 54.3 -60.6 -42.1 52.2 46.7 -1.3 161 161 A S H X S+ 0 0 79 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.896 111.2 45.9 -58.2 -40.2 53.1 48.7 1.8 162 162 A Q H X S+ 0 0 91 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.887 111.6 52.1 -70.2 -39.3 55.1 51.1 -0.5 163 163 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.824 93.0 72.4 -66.3 -35.1 52.2 51.3 -3.1 164 164 A K H <>S+ 0 0 72 -4,-2.4 5,-2.6 1,-0.2 -1,-0.2 0.887 95.7 53.3 -49.1 -40.6 49.6 52.2 -0.5 165 165 A S H ><5S+ 0 0 88 -4,-0.7 3,-1.7 -3,-0.5 -1,-0.2 0.974 110.1 46.4 -58.0 -56.3 51.0 55.7 -0.2 166 166 A E H 3<5S+ 0 0 77 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.731 111.3 51.9 -59.6 -28.3 50.9 56.2 -4.0 167 167 A F T 3<5S- 0 0 5 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.159 116.3-107.5 -98.6 19.2 47.3 54.9 -4.3 168 168 A G T < 5 0 0 65 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.867 360.0 360.0 60.0 40.6 45.8 57.2 -1.5 169 169 A L < 0 0 121 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.446 360.0 360.0-120.6 360.0 45.4 54.3 1.0