==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-APR-09 2WGR . COMPND 2 MOLECULE: GLUTATHIONE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR D.DIMASTROGIOVANNI,M.ANSELMI,A.E.MIELE,G.BOUMIS,F.ANGELUCCI, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 10.4 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 . 2 1.2 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 23.3 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+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 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 ANTIPARALLEL 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 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 7 A S 0 0 145 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.0 17.8 4.5 -7.2 2 8 A W + 0 0 105 1,-0.1 3,-0.1 109,-0.0 0, 0.0 -0.778 360.0 156.1 -88.0 131.2 17.1 5.8 -3.7 3 9 A N + 0 0 104 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.637 56.0 11.0-128.8 -27.5 19.0 9.0 -2.7 4 10 A S > - 0 0 16 134,-0.1 3,-1.2 1,-0.1 -1,-0.3 -0.988 66.3-112.3-152.1 163.2 17.2 11.0 0.1 5 11 A I G > S+ 0 0 0 132,-2.1 3,-1.8 -2,-0.3 15,-0.3 0.743 105.9 76.4 -69.4 -18.6 14.4 10.7 2.6 6 12 A Y G 3 S+ 0 0 9 1,-0.3 15,-0.6 130,-0.1 -1,-0.2 0.701 85.2 64.8 -67.8 -15.6 12.4 13.4 0.7 7 13 A E G < S+ 0 0 106 -3,-1.2 2,-0.3 13,-0.2 -1,-0.3 0.533 89.1 86.1 -80.8 -7.6 11.5 10.8 -2.0 8 14 A F < - 0 0 13 -3,-1.8 12,-2.9 -4,-0.1 2,-0.4 -0.708 59.5-155.5-103.5 148.8 9.5 8.6 0.5 9 15 A T E +A 19 0A 82 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.968 16.7 173.0-121.3 133.6 5.8 8.8 1.5 10 16 A V E -A 18 0A 4 8,-2.2 8,-3.0 -2,-0.4 2,-0.4 -0.963 34.4-107.4-133.5 153.6 4.5 7.4 4.8 11 17 A K E -A 17 0A 101 -2,-0.3 85,-2.9 6,-0.2 6,-0.2 -0.686 32.1-134.2 -81.2 134.9 1.1 7.6 6.6 12 18 A D B > -B 95 0B 30 4,-3.0 3,-2.1 -2,-0.4 83,-0.3 -0.180 37.6 -89.8 -73.8 177.2 0.9 9.9 9.6 13 19 A I T 3 S+ 0 0 11 81,-2.2 82,-0.2 1,-0.3 68,-0.1 0.705 127.9 58.8 -69.9 -14.3 -0.8 8.7 12.8 14 20 A N T 3 S- 0 0 98 80,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.314 121.3-105.3 -92.2 5.0 -4.1 10.0 11.5 15 21 A G S < S+ 0 0 39 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.514 76.0 137.4 82.9 12.8 -4.0 7.8 8.4 16 22 A V - 0 0 82 1,-0.0 -4,-3.0 -6,-0.0 2,-0.4 -0.723 58.3-117.7 -94.2 136.1 -3.0 10.7 6.0 17 23 A D E -A 11 0A 99 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.581 33.5-168.9 -76.8 126.2 -0.4 10.1 3.4 18 24 A V E -A 10 0A 19 -8,-3.0 -8,-2.2 -2,-0.4 2,-0.4 -0.967 16.3-145.2-120.7 117.2 2.6 12.5 4.0 19 25 A S E > -A 9 0A 54 -2,-0.5 3,-2.2 -10,-0.2 -10,-0.2 -0.722 18.6-135.6 -72.8 130.2 5.5 13.0 1.5 20 26 A L G > S+ 0 0 0 -12,-2.9 3,-2.3 -2,-0.4 -13,-0.2 0.543 93.7 92.9 -69.4 -3.3 8.7 13.5 3.5 21 27 A E G > + 0 0 80 -15,-0.6 3,-2.0 1,-0.3 -1,-0.3 0.781 68.5 78.3 -50.1 -28.3 9.4 16.4 1.1 22 28 A K G < S+ 0 0 125 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.791 89.9 53.6 -46.4 -34.0 7.6 18.2 3.9 23 29 A Y G X S+ 0 0 3 -3,-2.3 3,-2.3 -4,-0.1 -1,-0.3 0.373 74.7 143.5 -93.6 4.9 10.9 18.1 5.8 24 30 A R T < S+ 0 0 137 -3,-2.0 112,-0.1 1,-0.3 3,-0.1 -0.144 73.5 11.6 -48.9 126.9 13.1 19.7 3.1 25 31 A G T 3 S+ 0 0 29 110,-1.2 -1,-0.3 1,-0.3 2,-0.3 0.411 107.0 105.4 87.1 -1.6 15.8 21.9 4.6 26 32 A H S < S- 0 0 53 -3,-2.3 2,-0.5 108,-0.2 111,-0.3 -0.708 75.0-114.4-106.3 160.5 15.2 20.7 8.2 27 33 A V E -c 59 0C 0 31,-1.9 33,-3.2 -2,-0.3 2,-0.4 -0.842 36.7-156.3 -93.7 125.1 17.3 18.3 10.4 28 34 A C E -cD 60 133C 0 105,-2.0 105,-2.9 -2,-0.5 2,-0.6 -0.876 16.3-162.5-109.0 138.3 15.3 15.1 11.1 29 35 A L E -cD 61 132C 0 31,-2.0 33,-2.8 -2,-0.4 2,-0.6 -0.977 16.3-159.9-114.6 112.0 15.7 12.7 13.9 30 36 A I E +cD 62 131C 0 101,-2.9 101,-2.3 -2,-0.6 2,-0.4 -0.858 14.3 177.5-103.4 121.4 13.9 9.5 13.0 31 37 A V E -cD 63 130C 0 31,-2.7 33,-2.7 -2,-0.6 2,-0.5 -0.973 27.2-140.8-129.4 128.6 13.0 7.2 15.9 32 38 A N E -c 64 0C 0 97,-1.3 96,-2.2 -2,-0.4 2,-0.2 -0.811 37.2-165.9 -84.9 132.0 11.1 3.8 16.0 33 39 A V E -c 65 0C 0 31,-2.0 33,-2.0 -2,-0.5 2,-0.3 -0.709 23.5-172.2-124.2 166.4 8.9 4.0 19.1 34 40 A A - 0 0 0 -2,-0.2 3,-0.4 31,-0.2 39,-0.2 -0.954 17.3-150.2-155.7 142.6 6.7 1.8 21.4 35 41 A C S S+ 0 0 7 37,-0.4 2,-0.2 -2,-0.3 38,-0.2 0.698 89.3 58.4 -84.9 -23.2 4.3 2.7 24.2 36 42 A K S S+ 0 0 114 36,-2.6 2,-0.3 4,-0.1 -1,-0.2 -0.283 82.1 104.6-112.4 45.0 4.7 -0.4 26.4 37 43 A S S > S- 0 0 19 -3,-0.4 3,-1.3 -2,-0.2 4,-0.4 -0.911 74.4-123.7-126.2 154.3 8.5 -0.4 27.2 38 44 A G T 3 S+ 0 0 92 -2,-0.3 4,-0.3 1,-0.2 3,-0.1 0.669 115.7 52.6 -63.9 -17.7 10.6 0.4 30.2 39 45 A A T 3> S+ 0 0 45 1,-0.1 4,-2.1 2,-0.1 5,-0.2 0.490 84.3 91.1 -94.4 -6.2 12.5 2.9 27.9 40 46 A T H <> S+ 0 0 2 -3,-1.3 4,-2.5 1,-0.2 5,-0.3 0.914 82.9 49.8 -57.5 -50.2 9.3 4.7 26.8 41 47 A D H > S+ 0 0 56 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.928 113.0 44.6 -60.3 -48.7 9.2 7.4 29.4 42 48 A K H > S+ 0 0 117 -4,-0.3 4,-2.2 2,-0.2 5,-0.3 0.931 115.8 46.4 -66.5 -44.9 12.8 8.6 29.1 43 49 A N H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.959 116.1 43.8 -62.3 -51.8 12.8 8.6 25.3 44 50 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.918 114.0 49.6 -61.4 -42.6 9.6 10.4 24.9 45 51 A R H X S+ 0 0 136 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.926 114.7 43.3 -65.7 -40.4 10.3 13.0 27.6 46 52 A Q H X S+ 0 0 30 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.914 114.5 50.8 -69.1 -44.1 13.7 13.9 26.2 47 53 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.927 111.9 46.8 -59.3 -43.5 12.4 14.0 22.6 48 54 A Q H X S+ 0 0 24 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.907 113.3 49.2 -67.2 -40.1 9.5 16.3 23.6 49 55 A E H X S+ 0 0 70 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.932 113.5 46.0 -62.6 -44.9 11.9 18.6 25.6 50 56 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.897 110.6 54.0 -64.9 -40.7 14.3 18.7 22.6 51 57 A H H X S+ 0 0 24 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.953 108.3 49.3 -54.8 -50.4 11.5 19.4 20.2 52 58 A T H < S+ 0 0 93 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.921 117.9 39.2 -59.0 -43.3 10.3 22.3 22.3 53 59 A R H < S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.806 127.8 29.4 -75.8 -31.2 13.7 23.9 22.4 54 60 A L H >X>S+ 0 0 10 -4,-2.5 5,-2.2 -5,-0.2 4,-0.8 0.511 87.3 90.9-118.6 -6.8 14.9 23.1 18.9 55 61 A V G ><5S+ 0 0 43 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.1 0.902 89.1 57.0 -57.7 -37.8 11.9 23.0 16.5 56 62 A G G 345S+ 0 0 73 -4,-0.3 -1,-0.2 -5,-0.3 -2,-0.1 0.788 106.2 49.2 -64.3 -28.1 12.5 26.8 15.9 57 63 A K G <45S- 0 0 152 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.531 133.5 -85.6 -88.3 -11.0 16.0 26.2 14.7 58 64 A G T <<5S+ 0 0 4 -3,-1.0 -31,-1.9 -4,-0.8 2,-0.4 0.487 75.0 145.0 123.2 4.6 14.9 23.4 12.4 59 65 A L E < -c 27 0C 0 -5,-2.2 2,-0.5 -33,-0.2 -1,-0.3 -0.600 22.6-174.3 -76.8 130.0 14.8 20.1 14.3 60 66 A R E -c 28 0C 56 -33,-3.2 -31,-2.0 -2,-0.4 2,-0.5 -0.957 8.2-158.8-124.8 111.4 12.0 17.7 13.1 61 67 A I E -c 29 0C 1 -2,-0.5 32,-1.7 -33,-0.2 2,-0.5 -0.775 6.0-164.6 -88.7 127.1 11.5 14.6 15.2 62 68 A L E -ce 30 93C 0 -33,-2.8 -31,-2.7 -2,-0.5 2,-0.5 -0.974 2.4-162.8-112.3 127.3 9.7 11.8 13.3 63 69 A A E -ce 31 94C 0 30,-2.4 32,-2.4 -2,-0.5 -31,-0.2 -0.956 4.7-170.2-120.2 119.6 8.3 8.9 15.4 64 70 A F E -c 32 0C 0 -33,-2.7 -31,-2.0 -2,-0.5 33,-0.1 -0.922 19.3-137.6-109.3 107.9 7.3 5.6 13.8 65 71 A P E -c 33 0C 0 0, 0.0 33,-2.5 0, 0.0 2,-0.3 -0.316 27.1-178.5 -59.8 142.9 5.4 3.1 16.0 66 72 A C - 0 0 0 -33,-2.0 3,-0.3 31,-0.2 6,-0.1 -0.958 24.9-166.0-153.0 127.8 6.7 -0.4 15.6 67 73 A N > + 0 0 60 31,-0.4 4,-0.5 -2,-0.3 6,-0.1 0.142 64.5 99.9 -99.3 17.2 5.5 -3.6 17.2 68 74 A Q T 4 + 0 0 70 1,-0.1 2,-0.6 2,-0.1 -1,-0.2 0.481 66.9 73.4 -86.2 -1.6 8.5 -5.9 16.3 69 75 A F T >4 S- 0 0 10 -3,-0.3 3,-0.9 1,-0.1 -1,-0.1 -0.844 127.0 -36.8-121.9 94.2 10.3 -5.7 19.6 70 76 A G T 34 S- 0 0 58 -2,-0.6 -2,-0.1 1,-0.2 -1,-0.1 0.608 98.8 -81.3 70.5 13.1 8.7 -7.7 22.4 71 77 A G T 3< S+ 0 0 37 -4,-0.5 -1,-0.2 1,-0.1 -3,-0.1 0.875 86.9 147.6 56.8 42.9 5.2 -6.8 21.1 72 78 A Q < + 0 0 48 -3,-0.9 -36,-2.6 1,-0.2 -37,-0.4 0.357 61.2 51.5 -98.6 7.2 5.6 -3.5 22.9 73 79 A E + 0 0 0 -39,-0.2 -1,-0.2 -38,-0.2 -6,-0.1 -0.439 65.6 140.4-129.2 58.6 3.5 -1.4 20.4 74 80 A P + 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.792 40.7 97.4 -73.0 -25.6 0.3 -3.5 20.2 75 81 A W S S- 0 0 83 1,-0.1 2,-0.1 -3,-0.1 -40,-0.0 -0.077 76.3-105.6 -69.3 160.0 -2.3 -0.7 20.1 76 82 A A >> - 0 0 50 1,-0.1 4,-2.4 20,-0.0 3,-0.7 -0.381 42.0 -97.7 -72.8 163.7 -4.1 0.9 17.2 77 83 A E H 3> S+ 0 0 56 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.838 120.7 54.5 -53.9 -44.1 -3.0 4.3 16.0 78 84 A A H 3> S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.883 111.6 45.5 -59.8 -38.8 -5.8 6.2 17.8 79 85 A E H <> S+ 0 0 104 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.880 112.4 50.3 -74.1 -38.9 -4.8 4.6 21.1 80 86 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.943 111.9 48.8 -61.4 -47.4 -1.1 5.3 20.5 81 87 A K H X S+ 0 0 78 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.931 112.2 47.9 -58.7 -48.8 -1.9 8.9 19.7 82 88 A K H X S+ 0 0 116 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.908 112.2 50.6 -57.7 -43.9 -4.0 9.4 22.8 83 89 A F H X S+ 0 0 53 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.947 113.6 42.2 -62.1 -49.9 -1.3 7.7 25.1 84 90 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 6,-1.4 0.839 116.6 47.2 -72.9 -31.5 1.6 9.9 23.9 85 91 A T H X S+ 0 0 57 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.940 117.1 42.5 -74.4 -44.8 -0.3 13.1 23.9 86 92 A E H < S+ 0 0 130 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.893 124.0 35.5 -66.8 -41.5 -1.8 12.6 27.3 87 93 A K H < S+ 0 0 99 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.870 136.9 13.7 -82.2 -36.4 1.3 11.3 28.9 88 94 A Y H < S- 0 0 20 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.462 88.1-124.6-122.9 -6.1 4.1 13.3 27.3 89 95 A G < - 0 0 29 -4,-1.4 -4,-0.2 -5,-0.4 -3,-0.1 0.826 36.8-159.1 61.2 35.2 2.3 16.2 25.5 90 96 A V + 0 0 10 -6,-1.4 -1,-0.2 1,-0.2 4,-0.1 -0.208 27.0 167.6 -55.8 123.8 4.0 15.1 22.2 91 97 A Q + 0 0 132 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.403 50.8 89.7-112.4 -9.1 4.1 18.0 19.7 92 98 A F S S- 0 0 9 1,-0.1 2,-0.5 -32,-0.0 -30,-0.1 -0.184 94.1 -69.2 -80.0-179.0 6.5 16.4 17.2 93 99 A D E -e 62 0C 46 -32,-1.7 -30,-2.4 -2,-0.0 2,-0.4 -0.654 44.9-165.1 -89.9 124.6 5.3 14.3 14.3 94 100 A M E -e 63 0C 17 -2,-0.5 -81,-2.2 -32,-0.2 -80,-0.3 -0.814 8.6-162.1-102.6 141.8 3.7 10.9 14.9 95 101 A F B -B 12 0B 1 -32,-2.4 -83,-0.3 -2,-0.4 -82,-0.1 -0.657 27.6 -86.4-118.8 168.8 3.2 8.3 12.1 96 102 A S - 0 0 16 -85,-2.9 -83,-0.1 -2,-0.2 -1,-0.1 -0.360 61.3 -82.0 -70.8 158.2 1.2 5.2 11.6 97 103 A K + 0 0 62 -33,-0.1 2,-0.3 -84,-0.1 -31,-0.2 -0.326 58.0 168.9 -66.0 138.7 2.7 1.9 12.7 98 104 A I - 0 0 29 -33,-2.5 -31,-0.4 -3,-0.1 2,-0.4 -0.865 36.3-106.6-136.8 169.5 5.2 0.2 10.4 99 105 A K - 0 0 107 5,-0.4 7,-2.9 -2,-0.3 10,-0.2 -0.814 22.1-174.2 -91.6 144.6 7.8 -2.6 10.3 100 106 A V + 0 0 0 -2,-0.4 2,-0.3 5,-0.2 24,-0.2 0.537 68.1 48.2-112.0 -18.5 11.4 -1.6 10.4 101 107 A N S S+ 0 0 20 22,-0.1 3,-0.3 3,-0.0 -1,-0.1 -0.888 90.0 31.5-122.3 157.4 13.0 -5.1 9.9 102 108 A G S > S- 0 0 49 -2,-0.3 3,-1.7 1,-0.2 -3,-0.0 -0.113 101.5 -57.9 89.9 174.8 12.3 -7.9 7.4 103 109 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.2 -2,-0.0 7,-0.0 0.679 133.9 54.6 -68.6 -16.9 11.1 -7.9 3.8 104 110 A D T 3 S+ 0 0 122 -3,-0.3 -5,-0.4 2,-0.0 -1,-0.3 0.315 79.1 128.2 -99.5 8.6 7.9 -6.0 4.8 105 111 A A S < S- 0 0 5 -3,-1.7 -5,-0.2 1,-0.1 -3,-0.1 -0.258 74.2 -91.3 -56.0 147.4 9.8 -3.1 6.5 106 112 A D >> - 0 0 40 -7,-2.9 4,-2.0 1,-0.1 3,-0.9 -0.372 32.8-119.6 -58.7 141.4 8.8 0.3 5.3 107 113 A D H 3> S+ 0 0 79 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.834 112.7 63.7 -50.9 -37.7 10.9 1.5 2.3 108 114 A L H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.924 106.4 43.2 -51.9 -47.1 12.0 4.5 4.4 109 115 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.7 -10,-0.2 5,-0.2 0.877 108.6 56.2 -73.4 -33.5 13.7 2.1 6.9 110 116 A K H X S+ 0 0 75 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.935 112.4 45.4 -57.7 -42.5 15.2 -0.1 4.2 111 117 A F H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.954 112.2 49.6 -63.7 -51.3 16.8 3.2 2.9 112 118 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.915 112.4 47.6 -56.2 -46.5 17.9 4.4 6.3 113 119 A K H < S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 109.7 52.8 -67.2 -33.1 19.5 1.0 7.1 114 120 A S H < S+ 0 0 79 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.935 114.3 42.7 -65.7 -43.5 21.3 0.8 3.7 115 121 A R H < S+ 0 0 90 -4,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.777 124.7 32.9 -77.6 -27.3 22.8 4.3 4.3 116 122 A Q S < S- 0 0 50 -4,-2.0 -1,-0.3 -5,-0.2 25,-0.1 -0.877 86.6-149.5-134.4 96.1 23.8 3.8 7.9 117 123 A H - 0 0 128 -2,-0.4 5,-0.1 -3,-0.3 2,-0.1 -0.247 8.7-128.4 -70.0 155.3 24.8 0.2 8.6 118 124 A G - 0 0 19 -5,-0.2 2,-0.4 1,-0.1 3,-0.2 -0.348 31.2 -88.8 -93.0 176.4 24.3 -1.5 11.9 119 125 A T S S- 0 0 113 1,-0.2 -1,-0.1 4,-0.2 4,-0.1 -0.764 104.8 -8.4 -90.0 128.4 26.7 -3.5 14.0 120 126 A L S S+ 0 0 177 -2,-0.4 2,-0.3 2,-0.1 -1,-0.2 0.442 144.0 3.2 73.5 0.5 27.0 -7.2 13.3 121 127 A T S S- 0 0 65 -3,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.814 78.5-108.9 151.8 154.8 24.1 -6.9 11.0 122 128 A N S S+ 0 0 61 -2,-0.3 3,-0.1 -4,-0.1 -6,-0.1 0.535 71.3 120.1 -97.5 -6.6 21.8 -4.1 9.8 123 129 A N S S- 0 0 80 1,-0.1 2,-0.3 -5,-0.1 -4,-0.2 -0.228 75.9-105.1 -58.0 140.2 18.6 -5.0 11.6 124 130 A I - 0 0 3 -24,-0.2 -1,-0.1 1,-0.1 -24,-0.1 -0.561 34.9-147.0 -58.9 131.5 17.2 -2.3 14.0 125 131 A K - 0 0 82 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.801 56.5 -31.0 -83.1 -32.7 18.2 -3.9 17.4 126 132 A W S > S- 0 0 117 -57,-0.0 3,-0.7 -94,-0.0 -94,-0.1 -0.918 87.1 -44.1-165.9-178.5 15.3 -2.8 19.7 127 133 A N T 3 S+ 0 0 4 -2,-0.3 -94,-0.2 1,-0.2 -2,-0.0 -0.357 113.8 27.5 -57.4 146.4 12.7 -0.0 20.3 128 134 A F T 3 S+ 0 0 0 -96,-2.2 -1,-0.2 1,-0.2 2,-0.2 0.758 70.5 158.7 69.7 37.3 14.0 3.6 20.1 129 135 A S < - 0 0 2 -3,-0.7 -97,-1.3 -97,-0.2 2,-0.4 -0.556 29.7-143.6 -75.8 155.5 16.9 3.3 17.7 130 136 A K E -DF 31 143C 0 13,-1.7 13,-2.7 -99,-0.2 2,-0.4 -0.964 18.5-167.4-129.1 139.9 17.6 6.7 16.1 131 137 A F E -DF 30 142C 0 -101,-2.3 -101,-2.9 -2,-0.4 2,-0.4 -0.988 14.3-146.9-119.0 137.0 18.7 8.0 12.7 132 138 A L E -DF 29 141C 3 9,-2.5 8,-2.8 -2,-0.4 9,-1.3 -0.882 14.1-168.3-102.0 134.8 20.0 11.6 12.1 133 139 A V E -DF 28 139C 0 -105,-2.9 -105,-2.0 -2,-0.4 4,-0.0 -0.971 13.9-134.1-127.6 129.1 19.2 13.1 8.7 134 140 A D > - 0 0 14 4,-2.5 3,-2.0 -2,-0.4 -108,-0.2 -0.052 36.4 -86.4 -79.8-177.4 20.8 16.3 7.4 135 141 A R T 3 S+ 0 0 39 1,-0.3 -110,-1.2 24,-0.2 -109,-0.1 0.555 127.1 54.5 -71.6 -4.0 19.2 19.4 5.7 136 142 A Q T 3 S- 0 0 88 2,-0.1 -1,-0.3 -112,-0.1 -130,-0.1 0.122 122.1-102.9-111.1 15.0 19.6 17.7 2.3 137 143 A G S < S+ 0 0 0 -3,-2.0 -132,-2.1 -111,-0.3 -2,-0.1 0.635 74.7 143.0 79.3 15.5 17.7 14.5 3.3 138 144 A Q - 0 0 50 -134,-0.2 -4,-2.5 -133,-0.1 2,-0.4 -0.789 52.8-129.3 -93.9 124.1 20.9 12.5 3.8 139 145 A P E +F 133 0C 1 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.576 36.9 166.1 -69.0 123.7 21.1 9.9 6.6 140 146 A V E + 0 0 59 -8,-2.8 2,-0.3 -2,-0.4 -7,-0.2 0.572 53.6 23.3-119.1 -14.9 24.4 10.7 8.3 141 147 A K E -F 132 0C 89 -9,-1.3 -9,-2.5 -25,-0.1 2,-0.4 -0.994 52.3-160.0-154.8 150.4 24.3 8.9 11.7 142 148 A R E -F 131 0C 39 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.982 13.7-162.1-130.5 142.7 22.7 5.9 13.4 143 149 A Y E -F 130 0C 18 -13,-2.7 -13,-1.7 -2,-0.4 -2,-0.0 -0.967 23.1-107.1-129.5 143.9 22.4 5.4 17.2 144 150 A S > - 0 0 58 -2,-0.4 3,-2.2 -15,-0.2 -20,-0.0 -0.173 36.4-106.3 -61.8 155.9 21.8 2.4 19.3 145 151 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 0.864 120.7 54.0 -49.6 -37.6 18.4 2.0 21.1 146 152 A T T 3 S+ 0 0 130 2,-0.1 2,-0.7 0, 0.0 -17,-0.1 0.462 78.0 111.4 -86.4 2.6 20.0 2.8 24.5 147 153 A T S < S- 0 0 28 -3,-2.2 -4,-0.1 -19,-0.2 5,-0.1 -0.648 72.4-129.7 -71.0 114.3 21.5 6.1 23.2 148 154 A A > - 0 0 9 -2,-0.7 3,-1.5 1,-0.1 4,-0.3 -0.393 14.1-119.9 -63.7 140.6 19.6 8.8 25.1 149 155 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.883 114.1 59.8 -46.8 -43.1 18.1 11.5 22.9 150 156 A Y G > S+ 0 0 94 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.804 94.4 64.2 -59.0 -28.4 20.1 14.1 24.8 151 157 A D G < S+ 0 0 121 -3,-1.5 -1,-0.3 1,-0.3 4,-0.2 0.582 99.9 53.7 -70.3 -7.6 23.3 12.3 23.8 152 158 A I G <> S+ 0 0 0 -3,-2.1 4,-2.4 -4,-0.3 -1,-0.3 0.411 80.7 95.7-102.5 -5.5 22.5 13.2 20.2 153 159 A E H <> S+ 0 0 45 -3,-1.3 4,-3.2 -4,-0.3 5,-0.2 0.904 81.8 51.1 -55.5 -43.8 22.1 16.9 20.9 154 160 A G H > S+ 0 0 53 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.918 111.3 47.1 -62.1 -43.2 25.7 17.8 19.9 155 161 A D H > S+ 0 0 37 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 113.2 50.0 -64.2 -39.8 25.4 16.0 16.5 156 162 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.930 109.4 50.9 -61.0 -49.3 22.0 17.8 16.0 157 163 A M H X S+ 0 0 72 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.924 107.2 54.3 -56.5 -43.9 23.6 21.2 16.8 158 164 A E H < S+ 0 0 118 -4,-2.4 4,-0.2 1,-0.2 3,-0.2 0.885 113.3 41.7 -54.7 -44.3 26.4 20.5 14.3 159 165 A L H >< S+ 0 0 7 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.782 107.8 60.2 -77.4 -30.9 23.8 19.8 11.5 160 166 A L H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.695 103.5 53.3 -68.7 -24.0 21.6 22.7 12.6 161 167 A E T 3< S+ 0 0 140 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.536 93.6 89.4 -81.1 -14.3 24.5 25.0 11.9 162 168 A K < 0 0 101 -3,-0.8 -3,-0.0 -4,-0.2 -27,-0.0 -0.574 360.0 360.0 -80.6 152.1 25.0 23.6 8.4 163 169 A K 0 0 107 -2,-0.2 -28,-0.2 -27,-0.0 -1,-0.1 -0.352 360.0 360.0 -70.3 360.0 23.1 25.3 5.5