==== 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 HYDROLASE 25-FEB-03 1H49 . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR M.CZJZEK,J.MORINIERE,L.VERDOUCQ,D.R.BEVAN,B.HENRISSAT, A.ESE . 980 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 47 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.3 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 2 0 6 3 3 0 2 1 1 4 0 2 2 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 5 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 2 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 12 A M 0 0 198 0, 0.0 2,-0.2 0, 0.0 417,-0.0 0.000 360.0 360.0 360.0 -23.8 31.4 129.0 60.3 2 13 A L - 0 0 30 1,-0.1 5,-0.1 2,-0.1 422,-0.0 -0.504 360.0-110.4 -75.7 149.9 27.8 130.0 59.3 3 14 A S > - 0 0 46 -2,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.444 31.9-106.7 -76.5 156.7 27.3 132.9 56.9 4 15 A P G > S+ 0 0 115 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.780 120.2 50.5 -56.7 -33.5 25.6 136.1 58.3 5 16 A S G 3 S+ 0 0 94 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.648 108.2 53.5 -78.2 -20.8 22.3 135.5 56.6 6 17 A E G < S+ 0 0 102 -3,-1.3 -1,-0.2 2,-0.1 422,-0.1 0.432 82.8 106.3 -91.5 -1.9 22.2 131.9 57.9 7 18 A I S < S- 0 0 28 -3,-0.6 418,-0.1 -4,-0.5 417,-0.0 -0.674 79.0-113.7 -79.2 125.5 22.7 133.0 61.6 8 19 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.254 28.9-158.3 -61.0 142.6 19.4 132.6 63.5 9 20 A Q > - 0 0 88 1,-0.1 3,-1.8 419,-0.0 4,-0.2 -0.883 27.1-120.2-115.9 153.1 17.7 135.7 64.7 10 21 A R G > S+ 0 0 38 477,-0.4 3,-1.9 -2,-0.3 -1,-0.1 0.856 112.1 64.7 -62.4 -31.8 15.2 135.8 67.6 11 22 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 479,-0.3 4,-0.1 0.472 83.5 76.2 -72.9 -2.8 12.6 137.3 65.2 12 23 A W G < S+ 0 0 77 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.620 95.3 61.3 -70.8 -16.2 12.7 134.0 63.2 13 24 A F S < S- 0 0 11 -3,-1.9 418,-0.0 -4,-0.2 417,-0.0 -0.823 98.1 -93.7-118.1 152.0 10.6 132.6 66.0 14 25 A P > - 0 0 60 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.201 39.4-113.9 -59.7 154.3 7.2 133.4 67.4 15 26 A S T 3 S+ 0 0 118 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.786 115.8 54.6 -66.5 -26.0 7.2 135.8 70.3 16 27 A D T 3 S+ 0 0 110 2,-0.1 -1,-0.3 426,-0.0 2,-0.1 0.484 81.4 118.9 -86.3 -1.9 5.9 133.1 72.8 17 28 A F < - 0 0 3 -3,-1.6 2,-0.5 1,-0.1 425,-0.2 -0.374 61.0-130.6 -61.8 147.0 8.8 130.7 71.9 18 29 A T E -a 442 0A 18 423,-2.1 425,-2.5 -2,-0.1 2,-0.4 -0.875 22.5-175.7-113.9 120.9 11.0 129.8 74.8 19 30 A F E +a 443 0A 2 -2,-0.5 63,-2.2 423,-0.2 64,-1.3 -0.970 26.5 139.2-109.2 137.3 14.8 129.9 74.9 20 31 A G E -ab 444 83A 1 423,-2.6 425,-2.4 -2,-0.4 2,-0.3 -0.823 41.7-113.9-152.9-173.3 16.5 128.6 78.0 21 32 A A E -ab 445 84A 0 62,-1.1 64,-2.7 423,-0.3 2,-0.3 -0.907 26.6-143.4-133.8 165.9 19.3 126.7 79.6 22 33 A A E +ab 446 85A 0 423,-1.9 425,-1.7 -2,-0.3 426,-1.6 -0.947 20.6 161.2-138.6 149.9 19.3 123.5 81.7 23 34 A T - 0 0 0 62,-2.4 2,-0.3 -2,-0.3 -2,-0.0 -0.892 25.5-129.9-145.4 176.9 21.0 121.7 84.6 24 35 A S > - 0 0 0 -2,-0.3 4,-1.5 62,-0.2 5,-0.3 -0.974 23.6-117.4-134.5 155.9 20.4 118.8 86.9 25 36 A A H >> S+ 0 0 2 -2,-0.3 4,-2.5 1,-0.2 3,-0.5 0.910 110.0 42.3 -60.3 -58.0 20.6 118.7 90.7 26 37 A Y H 34 S+ 0 0 18 105,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.884 113.9 55.4 -57.5 -38.1 23.3 116.1 91.3 27 38 A Q H 34 S+ 0 0 1 1,-0.1 425,-2.1 2,-0.1 -1,-0.2 0.801 126.0 11.7 -69.1 -29.4 25.4 117.7 88.5 28 39 A I H << S+ 0 0 6 -4,-1.5 37,-2.2 -3,-0.5 35,-1.7 0.695 106.8 75.0-117.2 -30.1 25.5 121.3 89.8 29 40 A E < + 0 0 7 -4,-2.5 37,-2.2 -5,-0.3 38,-0.5 0.846 54.9 179.7 -68.1 -41.7 24.2 121.7 93.4 30 41 A G + 0 0 4 29,-0.4 31,-0.3 -4,-0.4 -1,-0.2 -0.490 47.0 105.3 63.3-145.1 26.9 120.4 95.7 31 42 A A > + 0 0 2 29,-0.5 3,-1.3 -2,-0.2 6,-0.2 0.855 46.9 169.5 43.0 43.8 25.9 120.7 99.4 32 43 A W T 3 S+ 0 0 74 28,-1.0 -1,-0.1 1,-0.3 29,-0.1 0.757 72.2 22.7 -62.7 -27.5 25.4 116.9 99.2 33 44 A N T 3 S+ 0 0 90 27,-0.2 3,-0.3 6,-0.0 -1,-0.3 0.038 99.7 111.3-129.1 27.5 25.0 116.4 103.0 34 45 A E S X S+ 0 0 70 -3,-1.3 3,-1.5 1,-0.2 0, 0.0 -0.675 71.2 12.2-105.5 153.9 23.9 119.8 104.2 35 46 A D T 3 S- 0 0 74 1,-0.3 -1,-0.2 -2,-0.3 71,-0.2 0.883 131.1 -50.1 52.1 49.0 20.7 121.1 105.7 36 47 A G T 3 S+ 0 0 46 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.521 91.1 151.7 75.6 9.9 19.0 117.8 106.2 37 48 A K < - 0 0 24 -3,-1.5 55,-0.2 -6,-0.2 -1,-0.2 -0.589 35.0-138.6 -77.2 133.5 19.6 116.2 102.8 38 49 A G - 0 0 14 53,-1.9 58,-0.1 -2,-0.3 -4,-0.1 -0.366 28.5 -83.7 -86.8 166.5 19.9 112.4 102.6 39 50 A E - 0 0 79 56,-0.2 97,-2.5 -2,-0.1 98,-0.5 -0.357 41.5-152.4 -70.5 144.7 22.4 110.3 100.5 40 51 A S B > -J 135 0B 2 95,-0.3 4,-2.2 96,-0.1 5,-0.2 -0.720 31.5-103.7-108.5 167.9 21.6 109.5 96.8 41 52 A N H > S+ 0 0 0 93,-2.0 4,-1.9 -2,-0.2 92,-0.1 0.837 123.4 50.6 -52.4 -38.5 22.6 106.6 94.6 42 53 A W H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.837 106.7 53.8 -76.9 -36.0 25.2 108.8 92.9 43 54 A D H > S+ 0 0 6 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.950 114.4 40.8 -55.4 -53.0 26.7 109.9 96.3 44 55 A H H X S+ 0 0 17 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.859 116.3 52.4 -68.1 -33.5 27.2 106.3 97.4 45 56 A F H >X S+ 0 0 2 -4,-1.9 4,-0.7 -5,-0.2 3,-0.7 0.998 110.7 43.1 -67.0 -60.7 28.4 105.4 93.9 46 57 A C H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.825 120.9 45.3 -55.6 -27.2 31.1 108.0 93.5 47 58 A H H 3< S+ 0 0 84 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.712 106.3 51.2-101.6 -12.2 32.2 107.3 97.1 48 59 A N H << S+ 0 0 108 -4,-2.0 -1,-0.2 -3,-0.7 -2,-0.2 0.407 132.3 11.4 -95.9 2.3 32.4 103.6 97.5 49 60 A H >< + 0 0 12 -4,-0.7 3,-2.1 -3,-0.3 -1,-0.2 -0.261 62.8 174.7-178.9 63.9 34.5 103.2 94.4 50 61 A P G > S+ 0 0 58 0, 0.0 3,-1.3 0, 0.0 6,-0.3 0.650 74.6 80.1 -58.7 -13.3 35.9 106.5 93.0 51 62 A E G 3 S+ 0 0 135 1,-0.2 -5,-0.1 5,-0.1 6,-0.0 0.572 81.8 64.1 -67.1 -11.4 37.8 104.4 90.5 52 63 A R G < S+ 0 0 70 -3,-2.1 2,-0.5 -7,-0.2 -1,-0.2 0.425 85.9 79.1-100.4 -2.5 34.6 104.1 88.4 53 64 A I S X S- 0 0 3 -3,-1.3 3,-1.6 -4,-0.2 403,-0.2 -0.930 89.7-127.1 -97.0 132.7 34.5 107.8 87.6 54 65 A L T 3 S+ 0 0 106 401,-2.4 402,-0.1 -2,-0.5 -1,-0.1 0.856 106.3 27.8 -49.1 -48.1 36.9 108.5 84.8 55 66 A D T 3 S- 0 0 66 400,-0.4 -1,-0.3 -3,-0.1 3,-0.1 0.223 110.7-112.3-103.4 13.1 38.8 111.3 86.7 56 67 A G S < S+ 0 0 40 -3,-1.6 -2,-0.1 -6,-0.3 -5,-0.1 0.669 74.4 129.6 72.4 20.1 38.1 110.0 90.3 57 68 A S - 0 0 17 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.264 37.4-167.4-103.1-178.0 35.8 112.9 91.1 58 69 A N - 0 0 40 -3,-0.1 4,-0.4 -2,-0.1 3,-0.2 -0.872 34.0-105.5-152.4-174.5 32.3 113.5 92.5 59 70 A S + 0 0 2 -2,-0.3 -29,-0.4 1,-0.2 4,-0.1 -0.268 67.6 125.9-117.6 44.9 29.7 116.2 92.9 60 71 A D S S+ 0 0 39 -29,-0.1 -28,-1.0 2,-0.1 -29,-0.5 0.861 103.6 6.2 -64.8 -30.7 30.1 117.0 96.6 61 72 A I S > S+ 0 0 103 -31,-0.3 3,-2.6 -3,-0.2 2,-0.7 0.736 86.5 159.3-113.1 -58.2 30.6 120.6 95.4 62 73 A G T 3 S- 0 0 2 -4,-0.4 -34,-0.2 1,-0.3 -33,-0.2 -0.541 85.7 -24.0 74.7-109.1 29.9 120.4 91.6 63 74 A A T 3 S- 0 0 0 -35,-1.7 -1,-0.3 -2,-0.7 -34,-0.2 0.232 85.8-123.7-111.2 4.0 29.2 124.0 90.6 64 75 A N X> + 0 0 39 -3,-2.6 4,-2.2 -36,-0.3 3,-0.9 0.800 56.6 153.7 61.4 33.2 28.0 124.9 94.2 65 76 A S H 3> + 0 0 0 -37,-2.2 4,-0.6 -4,-0.3 -36,-0.2 0.656 60.9 68.9 -73.0 -17.2 24.7 126.0 92.9 66 77 A Y H 34 S+ 0 0 20 -37,-2.2 -1,-0.3 -38,-0.3 3,-0.2 0.903 118.0 24.9 -62.5 -40.8 22.9 125.2 96.2 67 78 A H H <4 S+ 0 0 102 -3,-0.9 3,-0.3 -38,-0.5 -2,-0.2 0.708 128.5 46.7 -90.6 -23.6 25.0 128.2 97.6 68 79 A M H >X S+ 0 0 37 -4,-2.2 4,-1.6 -39,-0.2 3,-1.0 0.139 70.6 118.7-109.3 21.8 25.5 130.1 94.3 69 80 A Y H 3X + 0 0 38 -4,-0.6 4,-2.4 1,-0.3 5,-0.2 0.791 69.9 61.9 -63.9 -32.9 21.9 130.0 92.9 70 81 A K H 3> S+ 0 0 137 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.866 105.2 47.5 -59.1 -38.2 21.6 133.8 92.9 71 82 A T H <> S+ 0 0 38 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.876 108.3 54.9 -72.1 -37.9 24.5 134.0 90.4 72 83 A D H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.950 111.3 44.9 -55.4 -47.0 22.9 131.3 88.3 73 84 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 110.8 54.3 -65.8 -40.3 19.8 133.4 88.1 74 85 A R H X S+ 0 0 124 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.893 109.4 48.0 -58.2 -41.7 21.8 136.5 87.4 75 86 A L H X S+ 0 0 5 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.930 111.7 48.7 -68.0 -42.8 23.5 134.8 84.5 76 87 A L H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.4 0.904 112.9 49.3 -59.9 -43.1 20.2 133.6 83.1 77 88 A K H ><5S+ 0 0 110 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.935 109.0 51.0 -62.5 -51.3 18.8 137.1 83.4 78 89 A E H 3<5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.0 52.4 -54.3 -36.9 21.7 138.8 81.8 79 90 A M T 3<5S- 0 0 0 -4,-1.7 409,-0.3 -5,-0.2 -1,-0.3 0.512 110.4-122.9 -81.0 -8.3 21.4 136.4 78.8 80 91 A G T < 5 + 0 0 24 -3,-1.5 -3,-0.2 -4,-0.4 -61,-0.1 0.758 46.5 174.1 74.4 24.3 17.7 137.2 78.4 81 92 A M < - 0 0 7 -5,-2.1 -1,-0.2 -6,-0.2 -61,-0.2 -0.433 28.6-151.8 -67.3 136.0 16.7 133.5 78.8 82 93 A D S S+ 0 0 57 -63,-2.2 42,-2.9 1,-0.1 2,-0.3 0.717 74.0 9.6 -74.8 -25.7 12.9 133.0 78.9 83 94 A A E -bc 20 124A 0 -64,-1.3 -62,-1.1 40,-0.3 2,-0.4 -0.975 56.4-144.6-155.8 161.6 13.2 129.9 81.0 84 95 A Y E -bc 21 125A 3 40,-2.1 42,-3.0 -2,-0.3 2,-0.6 -0.996 10.9-154.2-136.2 126.0 15.5 127.6 83.1 85 96 A R E +bc 22 126A 0 -64,-2.7 -62,-2.4 -2,-0.4 2,-0.3 -0.931 30.6 151.5-101.3 116.9 15.2 123.8 83.4 86 97 A F E - c 0 127A 4 40,-1.4 42,-2.7 -2,-0.6 2,-0.3 -0.888 34.1-125.2-133.0 163.9 16.5 122.4 86.7 87 98 A S E - c 0 128A 1 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.752 14.9-122.2-112.7 161.2 15.7 119.3 88.7 88 99 A I - 0 0 1 40,-1.9 2,-0.7 -2,-0.3 43,-0.3 -0.864 26.9-123.8 -99.4 137.2 14.6 118.7 92.3 89 100 A S >> - 0 0 4 -2,-0.4 4,-1.3 1,-0.2 3,-0.7 -0.708 14.7-153.6 -86.0 113.2 16.8 116.5 94.4 90 101 A W H >> S+ 0 0 0 -2,-0.7 4,-2.6 43,-0.4 3,-0.9 0.943 94.8 47.1 -53.9 -54.8 14.6 113.7 95.8 91 102 A P H 34 S+ 0 0 0 0, 0.0 -53,-1.9 0, 0.0 -1,-0.2 0.759 107.1 59.9 -61.8 -21.2 16.8 113.0 98.9 92 103 A R H <4 S+ 0 0 1 -3,-0.7 15,-0.3 -55,-0.2 -2,-0.2 0.783 114.8 33.7 -74.0 -31.0 17.0 116.8 99.6 93 104 A I H << S+ 0 0 0 -4,-1.3 11,-2.9 -3,-0.9 15,-0.2 0.839 138.0 20.9 -84.5 -40.4 13.2 117.0 99.9 94 105 A L >< - 0 0 0 -4,-2.6 3,-2.1 -5,-0.2 -1,-0.2 -0.827 69.2-169.7-136.5 84.8 12.7 113.6 101.5 95 106 A P T 3 S+ 0 0 37 0, 0.0 42,-0.3 0, 0.0 -56,-0.2 0.694 90.7 38.7 -56.8 -25.6 15.9 112.3 103.0 96 107 A K T 3 S- 0 0 118 6,-0.3 3,-0.1 2,-0.3 4,-0.1 0.315 110.6-118.5-104.9 5.7 14.6 108.8 103.6 97 108 A G S < S+ 0 0 0 -3,-2.1 2,-0.2 1,-0.2 63,-0.2 0.233 80.7 88.8 83.8 -11.9 12.6 108.7 100.3 98 109 A T S > S- 0 0 22 4,-0.1 4,-0.6 1,-0.1 -2,-0.3 -0.670 85.8-117.2-124.0 163.8 9.3 108.3 102.1 99 110 A K T >4 S+ 0 0 153 -2,-0.2 3,-0.5 1,-0.2 4,-0.1 0.824 117.0 60.5 -62.4 -33.0 6.3 110.0 103.7 100 111 A E T 34 S+ 0 0 155 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.929 98.8 55.3 -56.1 -49.1 7.5 108.2 106.9 101 112 A G T 34 S- 0 0 25 1,-0.1 -1,-0.2 -7,-0.1 -2,-0.2 0.658 107.6-134.7 -67.1 -20.5 10.9 110.1 106.7 102 113 A G << - 0 0 28 -4,-0.6 2,-0.4 -3,-0.5 -6,-0.3 0.193 22.3 -65.0 83.6 160.0 9.2 113.5 106.6 103 114 A I - 0 0 71 -9,-0.1 -9,-0.2 -4,-0.1 -10,-0.1 -0.667 40.7-131.6 -90.0 132.8 9.7 116.6 104.5 104 115 A N >> - 0 0 18 -11,-2.9 4,-1.9 -2,-0.4 3,-1.1 -0.747 12.4-158.0 -86.3 103.4 12.9 118.5 104.9 105 116 A P H 3> S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.735 91.0 54.7 -55.3 -29.4 11.9 122.2 105.3 106 117 A D H 3> S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -70,-0.1 0.751 105.8 51.6 -75.4 -34.6 15.3 123.4 104.1 107 118 A G H <> S+ 0 0 0 -3,-1.1 4,-1.8 -15,-0.3 5,-0.3 0.947 111.6 47.3 -61.1 -50.8 15.0 121.5 100.9 108 119 A I H X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.899 111.2 52.1 -58.6 -43.0 11.6 123.0 100.2 109 120 A K H X S+ 0 0 127 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.875 105.4 55.3 -63.5 -41.4 13.0 126.5 101.1 110 121 A Y H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.959 113.8 37.7 -56.4 -54.6 15.9 126.1 98.6 111 122 A Y H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 5,-0.2 0.892 114.6 56.1 -72.5 -36.7 13.7 125.4 95.5 112 123 A R H X S+ 0 0 62 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.884 111.2 44.6 -53.7 -43.1 11.1 127.8 96.7 113 124 A N H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.895 113.2 49.0 -71.8 -46.1 13.8 130.5 96.8 114 125 A L H X S+ 0 0 7 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.961 114.2 47.5 -52.7 -51.8 15.2 129.6 93.4 115 126 A I H X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.896 112.3 46.4 -61.6 -47.1 11.7 129.6 91.9 116 127 A N H X S+ 0 0 49 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.913 113.1 51.4 -62.8 -42.0 10.6 132.9 93.3 117 128 A L H X S+ 0 0 35 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.869 109.4 49.3 -63.3 -38.5 13.9 134.5 92.3 118 129 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.6 0.955 113.2 46.6 -65.0 -49.9 13.6 133.2 88.7 119 130 A L H ><5S+ 0 0 51 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.867 107.9 54.5 -63.9 -38.1 10.0 134.5 88.3 120 131 A E H 3<5S+ 0 0 151 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.765 109.1 51.1 -72.0 -17.1 10.8 137.9 89.8 121 132 A N T <<5S- 0 0 47 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.176 124.1-107.4 -96.6 18.5 13.5 138.1 87.1 122 133 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.780 76.4 135.0 64.5 30.3 11.0 137.1 84.4 123 134 A I < - 0 0 2 -5,-2.5 -40,-0.3 -8,-0.1 -1,-0.2 -0.960 50.5-135.7-117.9 125.3 12.3 133.6 83.9 124 135 A E E -c 83 0A 55 -42,-2.9 -40,-2.1 -2,-0.5 2,-0.4 -0.652 17.5-132.3 -86.0 122.3 10.0 130.6 83.7 125 136 A P E -c 84 0A 0 0, 0.0 2,-0.6 0, 0.0 49,-0.5 -0.616 15.9-168.2 -77.3 125.9 10.9 127.5 85.7 126 137 A Y E -cd 85 174A 7 -42,-3.0 -40,-1.4 -2,-0.4 2,-0.6 -0.955 19.9-155.5-109.2 109.2 10.7 124.2 84.0 127 138 A V E -cd 86 175A 0 47,-2.4 49,-2.8 -2,-0.6 2,-0.6 -0.795 14.7-160.1-103.7 119.6 11.1 121.7 86.7 128 139 A T E -cd 87 176A 0 -42,-2.7 -40,-1.9 -2,-0.6 49,-0.2 -0.829 6.4-161.3 -89.3 122.6 12.4 118.1 86.3 129 140 A I E S+ 0 0 0 47,-3.1 2,-0.4 -2,-0.6 48,-0.2 0.895 74.6 23.8 -72.0 -42.7 11.2 116.1 89.2 130 141 A F E + d 0 178A 2 47,-0.8 49,-0.8 46,-0.4 -1,-0.3 -0.966 51.3 167.7-137.4 121.2 13.7 113.3 88.8 131 142 A H S S- 0 0 2 -2,-0.4 -105,-0.3 -43,-0.3 -44,-0.1 -0.583 76.0 -69.6-131.4 63.9 17.1 113.2 87.1 132 143 A W S S+ 0 0 5 1,-0.1 2,-1.1 47,-0.1 -90,-0.1 0.361 96.1 122.0 81.8 1.5 18.7 110.0 88.2 133 144 A D - 0 0 2 -92,-0.1 -43,-0.4 -93,-0.1 -1,-0.1 -0.628 39.2-178.5-102.1 75.2 19.2 110.8 91.9 134 145 A V - 0 0 0 -2,-1.1 -93,-2.0 -44,-0.1 -92,-0.1 -0.557 38.1-102.9 -76.9 132.9 17.3 108.1 93.7 135 146 A P B >> -J 40 0B 0 0, 0.0 4,-1.1 0, 0.0 3,-1.1 -0.347 25.9-136.7 -56.1 127.9 17.3 108.3 97.6 136 147 A Q H 3> S+ 0 0 17 -97,-2.5 4,-2.0 1,-0.3 5,-0.2 0.780 102.4 65.5 -59.9 -29.9 19.8 105.7 98.8 137 148 A A H 3> S+ 0 0 45 -98,-0.5 4,-1.4 -42,-0.3 -1,-0.3 0.850 104.3 46.3 -58.8 -37.3 17.4 104.6 101.5 138 149 A L H <>>S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 6,-1.6 0.785 108.3 55.7 -73.3 -31.8 15.0 103.5 98.7 139 150 A E H X5S+ 0 0 23 -4,-1.1 4,-1.0 4,-0.3 -2,-0.2 0.857 112.1 42.8 -68.3 -37.0 17.9 101.7 96.8 140 151 A E H <5S+ 0 0 145 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.848 113.4 52.6 -76.8 -36.0 18.7 99.6 100.0 141 152 A K H <5S- 0 0 154 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.921 140.2 -16.6 -66.1 -48.2 15.0 98.9 100.8 142 153 A Y H <5S- 0 0 39 -4,-1.9 6,-0.3 -5,-0.1 -3,-0.2 0.319 95.9 -91.0-147.1 11.1 14.0 97.5 97.5 143 154 A G ><< - 0 0 20 -4,-1.0 3,-1.5 -5,-0.5 2,-0.3 0.528 56.1-114.6 87.3 7.5 16.5 98.4 94.8 144 155 A G G > S+ 0 0 0 -6,-1.6 3,-1.6 1,-0.3 9,-0.2 -0.507 96.3 5.8 67.7-123.8 14.8 101.7 93.8 145 156 A F G 3 S+ 0 0 0 -2,-0.3 77,-0.3 1,-0.3 -1,-0.3 0.578 123.5 71.5 -68.8 -9.7 13.4 101.5 90.2 146 157 A L G < + 0 0 18 -3,-1.5 -1,-0.3 76,-0.1 -2,-0.2 0.473 69.2 143.1 -79.1 -3.7 14.5 97.8 90.1 147 158 A D X - 0 0 7 -3,-1.6 3,-0.6 1,-0.2 -4,-0.1 -0.116 40.5-159.6 -40.4 118.7 11.6 97.2 92.5 148 159 A K T 3 S+ 0 0 168 -6,-0.3 -1,-0.2 1,-0.2 -5,-0.1 0.701 87.1 64.0 -82.8 -22.7 10.1 93.8 91.6 149 160 A S T 3 S- 0 0 58 -7,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.646 92.3-146.6 -68.8 -17.8 6.7 94.5 93.2 150 161 A H S < S+ 0 0 65 -3,-0.6 -2,-0.1 1,-0.1 -5,-0.0 0.841 82.2 71.7 48.8 37.2 6.3 97.3 90.7 151 162 A K S > S+ 0 0 109 3,-0.1 4,-2.5 75,-0.0 5,-0.2 0.511 78.0 60.7-142.8 -41.9 4.4 99.2 93.4 152 163 A S H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 110.6 42.6 -63.8 -49.3 6.7 100.5 96.2 153 164 A I H > S+ 0 0 0 -9,-0.2 4,-3.0 2,-0.2 5,-0.3 0.879 113.4 55.2 -62.9 -35.4 8.8 102.7 93.9 154 165 A V H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.928 111.7 42.0 -65.4 -44.5 5.6 103.9 92.2 155 166 A E H X S+ 0 0 109 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.896 116.8 47.6 -66.7 -42.3 4.0 105.0 95.5 156 167 A D H X S+ 0 0 26 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.959 114.3 45.7 -69.5 -48.0 7.2 106.6 96.8 157 168 A Y H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.925 112.3 52.8 -56.5 -45.9 7.9 108.4 93.5 158 169 A T H X S+ 0 0 22 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.915 108.3 49.1 -59.0 -45.2 4.3 109.5 93.4 159 170 A Y H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 109.5 52.9 -62.3 -42.3 4.4 111.0 97.0 160 171 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 110.2 47.6 -54.2 -51.1 7.6 112.8 96.0 161 172 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.910 109.4 54.8 -54.6 -43.5 5.8 114.3 93.1 162 173 A K H X S+ 0 0 76 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.911 107.4 49.3 -57.0 -44.8 2.9 115.2 95.4 163 174 A V H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.902 112.2 48.5 -62.4 -41.5 5.3 117.1 97.7 164 175 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.923 113.4 45.8 -64.5 -44.5 6.7 119.0 94.7 165 176 A F H X S+ 0 0 5 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.860 113.1 52.0 -66.3 -34.3 3.2 119.8 93.4 166 177 A D H < S+ 0 0 81 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.713 120.6 30.1 -76.9 -24.6 2.1 120.8 96.9 167 178 A N H < S+ 0 0 52 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.630 135.1 22.1-111.0 -20.7 4.9 123.2 97.6 168 179 A F H >X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 3,-1.1 0.463 93.7 92.3-126.0 -7.9 5.9 124.6 94.2 169 180 A G T 3< S+ 0 0 6 -4,-1.3 -3,-0.1 -5,-0.4 -4,-0.1 0.699 78.0 64.4 -73.5 -23.6 2.8 124.1 92.0 170 181 A D T 34 S+ 0 0 82 -5,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.835 120.6 23.8 -58.5 -35.8 1.3 127.5 92.7 171 182 A K T <4 S+ 0 0 73 -3,-1.1 2,-0.5 1,-0.1 -2,-0.2 0.729 109.5 78.1-106.1 -28.8 4.4 129.0 90.9 172 183 A V < + 0 0 0 -4,-2.9 3,-0.1 1,-0.1 -46,-0.1 -0.769 43.1 168.9 -89.4 122.1 5.6 126.1 88.6 173 184 A K + 0 0 70 -2,-0.5 71,-2.4 -48,-0.5 2,-0.4 0.322 65.6 60.1-109.6 -1.2 3.5 125.8 85.4 174 185 A N E +de 126 244A 7 -49,-0.5 -47,-2.4 69,-0.2 2,-0.4 -0.933 63.6 176.2-140.9 106.5 5.8 123.3 83.6 175 186 A W E -de 127 245A 0 69,-2.2 71,-1.7 -2,-0.4 2,-0.4 -0.909 14.3-169.2-116.2 140.6 6.7 119.9 85.1 176 187 A L E -de 128 246A 3 -49,-2.8 -47,-3.1 -2,-0.4 -46,-0.4 -0.990 7.0-162.7-126.8 123.2 8.7 117.0 83.7 177 188 A T E S+ 0 0 1 69,-2.6 -47,-0.8 -2,-0.4 2,-0.3 0.905 73.7 11.3 -68.7 -44.8 8.5 113.7 85.6 178 189 A F E -d 130 0A 2 68,-0.3 70,-2.3 -49,-0.1 2,-0.4 -0.923 59.4-155.3-137.2 155.9 11.6 112.2 84.1 179 190 A N E S- e 0 248A 2 -49,-0.8 70,-0.2 -2,-0.3 5,-0.1 -0.999 76.5 -4.3-133.8 130.3 14.6 113.1 82.1 180 191 A D > + 0 0 16 68,-1.6 4,-2.6 -2,-0.4 5,-0.2 0.915 68.2 169.5 60.9 47.9 16.7 110.8 79.9 181 192 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.871 73.8 51.9 -60.1 -38.3 14.9 107.6 80.8 182 193 A Q H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.885 113.0 44.5 -68.2 -38.5 16.6 105.5 78.1 183 194 A T H > S+ 0 0 28 2,-0.2 4,-2.4 3,-0.2 5,-0.5 0.921 112.7 51.6 -71.1 -44.4 20.1 106.6 79.1 184 195 A F H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 5,-0.3 0.952 117.6 37.4 -55.0 -53.8 19.3 106.1 82.8 185 196 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.932 121.7 43.2 -65.6 -47.3 18.1 102.5 82.4 186 197 A S H <>S+ 0 0 7 -4,-2.4 5,-2.2 -5,-0.2 4,-0.4 0.776 122.2 36.5 -73.4 -31.1 20.5 101.5 79.7 187 198 A V H <5S+ 0 0 29 -4,-2.4 7,-1.7 3,-0.2 6,-1.2 0.775 121.1 43.8 -94.5 -30.4 23.7 103.0 81.2 188 199 A S H <5S+ 0 0 0 -4,-1.8 10,-2.1 -5,-0.5 9,-0.4 0.809 134.2 16.1 -82.2 -32.1 22.9 102.4 84.9 189 200 A Y T <5S+ 0 0 0 -4,-1.7 22,-0.3 -5,-0.3 25,-0.2 0.324 130.7 43.6-126.2 2.6 21.7 98.8 84.5 190 201 A G T 5S+ 0 0 0 -4,-0.4 10,-0.5 -5,-0.2 -3,-0.2 0.717 134.2 9.7-112.6 -71.4 22.9 97.7 81.0 191 202 A T S S- 0 0 24 -7,-1.7 3,-2.5 4,-0.1 4,-0.4 -0.709 101.3 -42.2-105.2 157.0 26.3 104.9 85.8 195 206 A A T 3 S+ 0 0 0 1,-0.4 -153,-0.1 -2,-0.3 -1,-0.1 -0.271 127.3 25.5 -57.3 141.6 25.2 104.5 89.4 196 207 A P T 3 S- 0 0 11 0, 0.0 -1,-0.4 0, 0.0 -7,-0.1 -0.981 95.8-143.0 -81.9 7.9 24.4 102.1 90.9 197 208 A G < + 0 0 0 -3,-2.5 10,-3.0 -9,-0.4 2,-0.3 0.911 36.6 159.7 80.7 46.1 26.7 100.4 88.3 198 209 A R B +k 207 0C 63 -10,-2.1 2,-0.3 -4,-0.4 -1,-0.2 -0.816 2.9 148.5-107.6 144.4 25.0 97.1 87.6 199 210 A a - 0 0 0 8,-1.5 11,-2.1 -2,-0.3 -8,-0.1 -0.944 50.8 -65.3-159.3 171.1 25.4 94.8 84.5 200 211 A S > - 0 0 23 -10,-0.5 3,-1.3 -2,-0.3 11,-0.2 -0.285 66.8 -88.0 -60.6 151.3 25.3 91.1 83.5 201 212 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.442 116.6 35.6 -53.6 134.0 28.0 88.9 85.0 202 213 A G T 3 S+ 0 0 82 1,-0.4 2,-0.1 6,-0.2 -2,-0.1 -0.184 92.9 105.1 109.4 -37.1 31.1 89.0 82.7 203 214 A L S < S- 0 0 58 -3,-1.3 2,-1.1 1,-0.1 -1,-0.4 -0.331 81.9 -98.3 -77.0 162.5 30.8 92.7 81.7 204 215 A D S S+ 0 0 133 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.684 73.7 106.7 -90.0 95.0 33.1 95.4 83.1 205 216 A a S S- 0 0 7 -2,-1.1 -12,-0.1 1,-0.1 -13,-0.1 -0.963 76.1 -96.3-157.1 176.0 31.3 97.3 85.9 206 217 A A S S+ 0 0 30 -14,-0.6 -8,-0.2 1,-0.3 -9,-0.1 0.936 116.1 25.1 -65.0 -49.2 31.2 97.8 89.7 207 218 A Y B +k 198 0C 109 -10,-3.0 -8,-1.5 -15,-0.2 2,-1.3 -0.766 65.7 175.9-119.8 83.1 28.4 95.3 90.4 208 219 A P + 0 0 48 0, 0.0 -6,-0.2 0, 0.0 -10,-0.1 -0.263 55.9 97.3 -81.9 51.4 28.3 92.7 87.7 209 220 A T + 0 0 102 -2,-1.3 -9,-0.2 -9,-0.1 -11,-0.1 0.088 68.1 75.9-123.1 19.2 25.5 90.7 89.4 210 221 A G S S- 0 0 11 -11,-2.1 2,-0.3 -3,-0.5 -20,-0.1 0.062 83.1-104.3-100.6-143.5 22.5 92.1 87.5 211 222 A N >> - 0 0 67 -22,-0.3 4,-2.5 -11,-0.2 3,-1.3 -0.816 14.7-163.5-158.3 106.9 21.2 91.4 84.0 212 223 A S T 34 S+ 0 0 0 1,-0.3 129,-1.2 -2,-0.3 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