==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-08 3CMJ . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR K.Y.HWANG,K.H.NAM . 441 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 2 3 2 0 0 1 0 0 1 0 0 2 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 2 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 PARALLEL BRIDGES PER LADDER . 2 0 1 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 2 0 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 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 41 A K 0 0 146 0, 0.0 439,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 10.1 32.4 -15.2 20.1 2 42 A K - 0 0 113 437,-0.1 437,-0.2 1,-0.1 436,-0.1 -0.445 360.0-120.6 -60.8 144.3 33.5 -17.7 17.4 3 43 A F - 0 0 8 435,-3.2 3,-0.1 1,-0.2 -1,-0.1 -0.387 47.2 -71.1 -76.1 168.3 31.6 -17.2 14.2 4 44 A P > - 0 0 58 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.268 58.2 -93.4 -60.6 146.0 29.6 -20.1 12.8 5 45 A E T 3 S+ 0 0 197 1,-0.3 433,-0.0 -3,-0.1 -3,-0.0 -0.425 116.6 25.5 -54.7 129.7 31.4 -23.1 11.4 6 46 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 -2,-0.1 432,-0.0 0.449 82.1 161.3 90.3 1.7 31.7 -22.5 7.7 7 47 A F < - 0 0 10 -3,-2.1 2,-1.1 1,-0.1 -1,-0.3 -0.312 42.3-121.5 -56.9 134.4 31.5 -18.7 7.9 8 48 A L E -a 390 0A 26 381,-2.1 383,-2.3 63,-0.1 2,-0.5 -0.664 29.1-173.3 -92.7 96.2 32.9 -17.2 4.7 9 49 A W E +a 391 0A 0 -2,-1.1 62,-2.7 381,-0.2 63,-1.3 -0.738 24.3 148.7 -84.9 124.5 35.8 -14.9 5.3 10 50 A G E -ab 392 72A 0 381,-3.2 383,-2.1 -2,-0.5 2,-0.3 -0.744 40.0-129.2-139.3-174.3 36.9 -13.1 2.1 11 51 A A E -ab 393 73A 0 61,-0.7 63,-2.4 381,-0.3 2,-0.3 -0.956 25.0-142.1-140.2 157.9 38.3 -10.1 0.5 12 52 A A E +ab 394 74A 0 381,-2.7 384,-1.8 -2,-0.3 383,-0.7 -0.889 22.1 161.0-127.1 151.7 37.0 -8.1 -2.5 13 53 A T - 0 0 1 61,-1.9 2,-0.3 -2,-0.3 386,-0.0 -0.853 25.6-130.5-145.2 178.5 38.2 -6.2 -5.6 14 54 A S > - 0 0 0 -2,-0.3 4,-1.2 61,-0.2 5,-0.3 -0.970 22.4-117.0-136.8 159.4 36.7 -5.0 -8.9 15 55 A S H >> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.7 0.920 110.5 42.9 -63.3 -53.3 37.8 -5.4 -12.5 16 56 A Y H 34 S+ 0 0 12 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.833 113.0 56.1 -63.6 -28.1 38.5 -1.7 -13.5 17 57 A Q H 34 S+ 0 0 2 1,-0.1 383,-2.1 2,-0.1 -1,-0.2 0.761 126.4 11.2 -78.7 -22.4 40.1 -1.1 -10.1 18 58 A I H << S+ 0 0 2 -4,-1.2 36,-2.2 -3,-0.7 34,-0.6 0.650 106.7 75.5-124.9 -25.6 42.8 -3.8 -10.4 19 59 A E < + 0 0 8 -4,-2.7 36,-2.2 -5,-0.3 37,-0.4 0.831 53.4 177.9 -72.5 -37.0 43.1 -5.5 -13.8 20 60 A G + 0 0 5 28,-0.4 30,-0.3 -5,-0.3 -1,-0.2 -0.405 44.7 108.5 57.4-144.2 44.9 -3.1 -16.1 21 61 A A > + 0 0 4 28,-0.3 3,-1.2 1,-0.1 6,-0.1 0.890 46.7 170.7 42.8 49.2 45.5 -4.6 -19.6 22 62 A W T 3 S+ 0 0 55 27,-1.2 -1,-0.1 1,-0.3 8,-0.1 0.703 71.5 24.7 -68.6 -21.6 42.9 -2.0 -20.7 23 63 A N T 3 S+ 0 0 95 26,-0.2 3,-0.3 6,-0.1 -1,-0.3 0.017 99.4 112.4-130.8 24.5 43.3 -2.6 -24.4 24 64 A E S X S+ 0 0 67 -3,-1.2 3,-2.1 1,-0.2 -4,-0.0 -0.661 70.1 14.8-101.2 157.3 44.7 -6.1 -24.6 25 65 A D T 3 S- 0 0 71 1,-0.3 69,-0.3 -2,-0.2 -1,-0.2 0.771 129.3 -58.4 56.0 32.8 43.3 -9.4 -25.9 26 66 A G T 3 S+ 0 0 39 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.472 86.3 163.2 80.8 2.9 40.5 -7.7 -27.8 27 67 A K < - 0 0 23 -3,-2.1 54,-0.3 -6,-0.1 -1,-0.2 -0.279 31.6-132.8 -53.9 133.3 39.0 -6.0 -24.8 28 68 A G - 0 0 11 52,-2.6 2,-0.2 1,-0.1 57,-0.1 -0.410 27.4 -86.6 -84.1 164.7 36.7 -3.1 -25.8 29 69 A E - 0 0 63 55,-0.3 94,-3.0 -2,-0.1 95,-0.4 -0.487 42.7-155.5 -69.1 136.4 36.6 0.4 -24.4 30 70 A S B > -I 122 0B 2 92,-0.3 4,-2.0 -2,-0.2 5,-0.2 -0.663 33.3-104.2-101.6 169.1 34.5 0.9 -21.2 31 71 A I H > S+ 0 0 7 90,-2.8 4,-2.5 -2,-0.2 5,-0.1 0.785 124.5 54.5 -61.8 -26.5 32.9 4.1 -20.0 32 72 A W H > S+ 0 0 2 89,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.856 102.7 53.8 -78.0 -33.9 35.7 4.2 -17.4 33 73 A D H 4 S+ 0 0 1 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.941 116.2 41.4 -56.9 -45.4 38.4 3.9 -20.0 34 74 A R H >< S+ 0 0 109 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.931 112.6 52.9 -68.3 -46.9 36.8 7.0 -21.6 35 75 A F H >< S+ 0 0 4 -4,-2.5 3,-1.4 1,-0.3 6,-0.2 0.872 105.5 54.2 -58.5 -40.3 36.1 8.8 -18.4 36 76 A T T 3< S+ 0 0 14 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.541 99.2 62.8 -77.7 -5.7 39.7 8.6 -17.2 37 77 A R T < S+ 0 0 122 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.569 82.1 99.1 -88.2 -9.8 40.9 10.2 -20.5 38 78 A I S X S- 0 0 78 -3,-1.4 3,-1.8 -4,-0.4 4,-0.4 -0.676 81.8-120.4 -83.0 117.7 39.0 13.4 -19.6 39 79 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.291 93.2 16.2 -58.9 133.9 41.3 16.0 -18.1 40 80 A G T 3 S+ 0 0 83 2,-0.3 -4,-0.1 -4,-0.1 4,-0.0 0.239 96.9 98.5 90.6 -12.3 40.3 17.1 -14.6 41 81 A K S < S+ 0 0 54 -3,-1.8 2,-0.4 -6,-0.2 -5,-0.1 0.806 82.3 44.1 -75.9 -30.6 38.0 14.1 -13.8 42 82 A I S > S- 0 0 10 -4,-0.4 3,-2.1 -6,-0.1 -2,-0.3 -0.947 91.0-104.9-123.1 135.5 40.5 12.1 -11.8 43 83 A K G > S+ 0 0 99 360,-2.8 3,-1.8 -2,-0.4 363,-0.3 -0.269 106.3 3.9 -54.2 136.9 43.0 13.1 -9.1 44 84 A N G 3 S- 0 0 145 1,-0.3 -1,-0.3 361,-0.1 360,-0.1 0.561 119.4 -83.6 62.2 10.1 46.6 13.2 -10.4 45 85 A G G < S+ 0 0 66 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.797 81.9 166.1 63.1 29.3 45.3 12.4 -13.9 46 86 A D < - 0 0 26 -3,-1.8 2,-0.3 357,-0.1 -1,-0.2 -0.270 14.7-177.3 -73.5 158.5 45.3 8.7 -12.9 47 87 A S > - 0 0 25 -10,-0.0 4,-0.5 -2,-0.0 3,-0.4 -0.937 40.5-112.8-144.7 170.0 43.6 5.9 -14.8 48 88 A G T 4 S+ 0 0 2 -2,-0.3 -28,-0.4 1,-0.2 -26,-0.1 0.110 77.8 118.1 -86.7 22.4 43.0 2.2 -14.6 49 89 A D T 4 S- 0 0 58 1,-0.1 -27,-1.2 -28,-0.1 -28,-0.3 0.894 100.2 -2.3 -57.1 -42.3 45.2 1.6 -17.7 50 90 A V T >4 S+ 0 0 83 -3,-0.4 3,-2.7 -30,-0.3 4,-0.3 0.713 86.6 155.1-114.1 -45.4 47.6 -0.5 -15.6 51 91 A A T 3< S- 0 0 3 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.252 83.1 -18.7 51.7-127.8 46.2 -0.4 -12.0 52 92 A C T 3 S- 0 0 0 -34,-0.6 -1,-0.3 -35,-0.1 -33,-0.1 0.321 83.0-127.1 -90.5 5.3 47.5 -3.5 -10.2 53 93 A D X> + 0 0 29 -3,-2.7 4,-2.4 1,-0.1 3,-0.6 0.826 57.2 152.4 53.4 34.1 48.3 -5.3 -13.5 54 94 A H H 3> + 0 0 2 -36,-2.2 4,-1.4 -4,-0.3 -35,-0.2 0.800 57.6 68.4 -69.7 -27.0 46.1 -8.2 -12.1 55 95 A Y H 34 S+ 0 0 7 -36,-2.2 -1,-0.2 1,-0.2 -35,-0.1 0.904 117.0 27.4 -57.9 -38.9 45.1 -9.4 -15.6 56 96 A H H <4 S+ 0 0 96 -3,-0.6 3,-0.4 -37,-0.4 -2,-0.2 0.812 128.1 44.4 -86.0 -33.6 48.8 -10.5 -15.9 57 97 A R H >X S+ 0 0 89 -4,-2.4 4,-1.9 1,-0.2 3,-0.9 0.250 72.0 117.8-100.8 13.0 49.6 -11.0 -12.2 58 98 A Y H 3X S+ 0 0 23 -4,-1.4 4,-2.7 1,-0.3 -1,-0.2 0.789 72.1 57.7 -56.2 -32.7 46.5 -12.9 -11.1 59 99 A E H 3> S+ 0 0 121 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.896 106.4 49.2 -67.0 -38.2 48.5 -16.1 -10.2 60 100 A Q H <> S+ 0 0 82 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.922 112.5 48.2 -60.4 -44.6 50.6 -14.0 -7.7 61 101 A D H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.885 107.4 55.8 -68.0 -36.5 47.4 -12.6 -6.3 62 102 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.895 107.5 49.2 -58.3 -40.6 45.8 -16.1 -6.0 63 103 A D H X S+ 0 0 57 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.887 108.3 53.6 -69.6 -34.9 48.8 -17.2 -3.9 64 104 A L H X S+ 0 0 10 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.914 107.8 50.9 -62.6 -42.0 48.4 -14.1 -1.7 65 105 A M H X>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-0.8 0.919 111.0 48.6 -57.6 -44.8 44.8 -15.1 -1.1 66 106 A R H ><5S+ 0 0 128 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.908 105.9 57.4 -62.3 -43.4 46.0 -18.6 -0.2 67 107 A Q H 3<5S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.832 108.6 47.2 -55.9 -35.2 48.6 -17.1 2.2 68 108 A L H 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.672 110.2-123.2 -82.1 -16.3 45.8 -15.4 4.1 69 109 A G T <<5 - 0 0 33 -3,-0.9 -3,-0.2 -4,-0.8 -60,-0.1 0.719 40.4-175.9 79.3 21.9 43.6 -18.4 4.2 70 110 A L < - 0 0 7 -5,-1.9 -60,-0.2 1,-0.2 -1,-0.2 -0.244 20.9-160.2 -52.1 137.0 40.7 -16.7 2.5 71 111 A K S S+ 0 0 99 -62,-2.7 40,-2.7 1,-0.2 2,-0.3 0.653 76.8 10.2 -86.8 -21.4 37.5 -18.9 2.3 72 112 A T E -bc 10 111A 0 -63,-1.3 -61,-0.7 38,-0.3 2,-0.4 -0.976 62.5-151.2-156.5 155.6 36.1 -16.8 -0.5 73 113 A Y E -bc 11 112A 0 38,-2.1 40,-2.5 -2,-0.3 2,-0.6 -0.989 8.9-151.3-140.0 128.6 37.1 -14.0 -2.9 74 114 A R E +bc 12 113A 0 -63,-2.4 -61,-1.9 -2,-0.4 2,-0.3 -0.900 27.5 158.0-102.7 119.9 34.8 -11.4 -4.5 75 115 A F E - c 0 114A 5 38,-2.2 40,-2.8 -2,-0.6 2,-0.3 -0.860 31.9-126.2-127.9 167.3 35.8 -10.1 -7.9 76 116 A S E - c 0 115A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.855 18.3-124.5-113.8 158.8 34.0 -8.4 -10.7 77 117 A I - 0 0 0 38,-2.4 2,-1.0 -2,-0.3 41,-0.4 -0.870 20.2-128.4-101.0 127.1 33.8 -9.3 -14.4 78 118 A A >> - 0 0 1 -2,-0.5 3,-1.7 1,-0.2 4,-0.8 -0.672 16.7-160.1 -75.2 100.9 34.8 -6.7 -17.0 79 119 A W H >> S+ 0 0 0 -2,-1.0 4,-2.9 1,-0.3 3,-1.2 0.879 88.6 60.3 -50.3 -39.9 31.8 -6.8 -19.4 80 120 A A H 34 S+ 0 0 2 40,-0.5 -52,-2.6 1,-0.3 -1,-0.3 0.684 98.9 56.8 -68.1 -19.3 34.0 -5.1 -22.1 81 121 A R H <4 S+ 0 0 2 -3,-1.7 13,-0.5 -54,-0.3 14,-0.3 0.748 114.8 39.4 -71.8 -27.4 36.4 -8.1 -22.1 82 122 A I H << S+ 0 0 0 -3,-1.2 9,-3.0 -4,-0.8 -2,-0.2 0.855 133.4 19.4 -93.4 -46.4 33.5 -10.4 -22.8 83 123 A Q < + 0 0 8 -4,-2.9 -1,-0.3 7,-0.2 41,-0.2 -0.816 69.8 174.1-123.8 89.9 31.5 -8.2 -25.3 84 124 A P + 0 0 19 0, 0.0 40,-0.3 0, 0.0 -55,-0.3 0.758 60.9 15.8 -64.7 -26.9 34.0 -5.7 -26.7 85 125 A D S > S- 0 0 76 4,-0.3 3,-1.9 -57,-0.1 4,-0.1 -0.835 88.0 -83.2-147.2 176.6 31.7 -4.2 -29.3 86 126 A S T 3 S+ 0 0 73 1,-0.3 -3,-0.0 -2,-0.3 -1,-0.0 0.542 108.1 79.0 -66.8 -7.1 28.2 -3.7 -30.7 87 127 A S T 3 S- 0 0 57 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.683 92.8-140.7 -69.4 -16.3 28.3 -7.0 -32.6 88 128 A R < + 0 0 89 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.435 48.3 151.9 68.0 1.8 27.5 -8.6 -29.2 89 129 A Q - 0 0 143 1,-0.1 2,-0.3 -4,-0.1 -4,-0.3 -0.337 50.4-109.8 -65.4 143.0 29.9 -11.4 -30.1 90 130 A I - 0 0 62 -7,-0.1 2,-0.8 -3,-0.1 -7,-0.2 -0.586 19.9-139.3 -78.8 128.5 31.7 -13.1 -27.3 91 131 A N > - 0 0 15 -9,-3.0 4,-2.1 -2,-0.3 3,-0.2 -0.808 12.3-161.8 -87.4 113.1 35.4 -12.4 -26.9 92 132 A Q H > S+ 0 0 113 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.820 86.0 56.4 -70.6 -32.4 36.9 -15.8 -26.0 93 133 A R H > S+ 0 0 119 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.890 108.8 48.4 -62.2 -41.4 40.2 -14.5 -24.7 94 134 A G H > S+ 0 0 1 -13,-0.5 4,-1.3 -69,-0.3 3,-0.3 0.937 113.0 46.8 -63.8 -47.9 38.3 -12.3 -22.2 95 135 A L H X S+ 0 0 12 -4,-2.1 4,-2.1 -14,-0.3 -2,-0.2 0.897 107.3 58.1 -61.6 -40.2 36.1 -15.2 -21.1 96 136 A D H X S+ 0 0 61 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.843 98.8 59.8 -59.5 -35.8 39.2 -17.5 -20.8 97 137 A F H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.948 108.4 43.0 -57.7 -50.2 40.7 -15.1 -18.3 98 138 A Y H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.868 111.8 54.7 -68.0 -34.0 37.8 -15.5 -15.9 99 139 A R H X S+ 0 0 70 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.941 111.1 45.5 -58.1 -48.2 37.8 -19.2 -16.5 100 140 A R H X S+ 0 0 70 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.878 113.0 50.2 -63.6 -41.1 41.5 -19.4 -15.5 101 141 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.955 112.7 45.9 -61.2 -49.7 40.9 -17.2 -12.5 102 142 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.892 111.1 52.3 -64.4 -41.7 38.0 -19.3 -11.3 103 143 A E H X S+ 0 0 117 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.909 110.2 49.9 -57.5 -42.4 39.9 -22.5 -11.8 104 144 A G H X S+ 0 0 10 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.877 108.0 52.8 -65.2 -40.4 42.8 -21.1 -9.7 105 145 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.8 0.954 111.4 45.7 -58.1 -49.9 40.4 -20.1 -7.0 106 146 A H H ><5S+ 0 0 65 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.854 105.5 60.7 -64.0 -36.2 39.0 -23.7 -6.8 107 147 A K H 3<5S+ 0 0 172 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.787 111.0 41.3 -57.1 -30.4 42.5 -25.1 -6.9 108 148 A R T <<5S- 0 0 68 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.185 118.2-109.9-105.1 13.7 43.2 -23.2 -3.7 109 149 A D T < 5S+ 0 0 145 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.852 70.6 143.2 57.2 39.8 39.8 -24.0 -2.0 110 150 A I < - 0 0 2 -5,-2.6 -38,-0.3 -6,-0.1 -1,-0.2 -0.949 49.5-131.4-109.5 124.0 38.6 -20.4 -2.3 111 151 A L E -c 72 0A 64 -40,-2.7 -38,-2.1 -2,-0.5 2,-0.3 -0.623 23.2-130.3 -78.0 120.6 34.9 -20.0 -3.2 112 152 A P E -c 73 0A 0 0, 0.0 45,-1.1 0, 0.0 2,-0.4 -0.521 21.3-173.4 -69.5 134.6 34.4 -17.5 -6.0 113 153 A M E -cd 74 157A 0 -40,-2.5 -38,-2.2 -2,-0.3 2,-0.5 -0.989 14.4-161.6-119.1 123.4 31.9 -14.7 -5.7 114 154 A A E -cd 75 158A 0 43,-2.2 45,-3.0 -2,-0.4 2,-0.6 -0.902 11.7-155.4-110.6 125.8 31.5 -12.9 -9.1 115 155 A T E -cd 76 159A 0 -40,-2.8 -38,-2.4 -2,-0.5 3,-0.2 -0.875 5.1-162.1 -91.0 121.6 30.0 -9.4 -9.5 116 156 A L E S+ 0 0 0 43,-3.0 2,-0.5 -2,-0.6 -37,-0.2 0.889 78.6 30.3 -73.5 -38.7 28.6 -9.1 -13.0 117 157 A Y E + d 0 161A 3 43,-1.9 45,-1.9 42,-0.3 -1,-0.3 -0.904 53.8 158.1-130.4 105.9 28.5 -5.3 -13.0 118 158 A H S S- 0 0 2 -2,-0.5 -102,-0.3 -41,-0.4 -42,-0.1 -0.395 77.3 -77.6-120.9 52.6 30.9 -3.1 -11.0 119 159 A W S S+ 0 0 14 43,-0.1 2,-1.1 1,-0.1 -88,-0.1 0.238 97.9 115.7 87.4 -6.0 30.5 0.1 -13.0 120 160 A D - 0 0 4 -43,-0.2 -40,-0.5 -89,-0.1 -41,-0.2 -0.456 44.4-178.1 -97.3 60.0 32.6 -0.6 -16.1 121 161 A L - 0 0 0 -2,-1.1 -90,-2.8 -42,-0.1 -89,-0.3 -0.329 34.6-106.5 -55.7 134.6 29.9 -0.5 -18.7 122 162 A P B >> -I 30 0B 0 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.430 23.5-127.1 -61.9 137.3 31.1 -1.3 -22.3 123 163 A Q H 3> S+ 0 0 21 -94,-3.0 4,-2.7 1,-0.2 5,-0.2 0.849 108.4 64.1 -54.3 -34.6 31.1 1.9 -24.3 124 164 A W H 3> S+ 0 0 11 -95,-0.4 4,-0.7 -40,-0.3 -1,-0.2 0.873 102.5 48.5 -59.2 -35.0 29.0 0.2 -27.0 125 165 A V H X4>S+ 0 0 0 -3,-1.0 5,-2.7 2,-0.2 3,-0.7 0.912 110.2 51.1 -70.3 -40.1 26.2 -0.2 -24.5 126 166 A E H ><5S+ 0 0 37 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.882 105.2 56.8 -60.4 -38.3 26.6 3.5 -23.6 127 167 A D H 3<5S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 104.9 52.9 -64.0 -24.6 26.4 4.3 -27.3 128 168 A E T <<5S- 0 0 77 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.079 140.4 -79.1 -97.4 19.2 23.0 2.5 -27.3 129 169 A G T X 5 - 0 0 29 -3,-1.7 3,-1.4 3,-0.1 4,-0.3 0.184 55.9-139.8 110.5 -15.7 21.8 4.7 -24.4 130 170 A G G > > S+ 0 0 91 -2,-0.5 3,-1.7 1,-0.3 4,-0.6 0.817 97.7 67.8 -52.5 -34.6 15.4 0.2 -21.2 135 175 A E H 3> S+ 0 0 103 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.722 82.0 73.7 -65.8 -20.2 17.1 -2.1 -23.7 136 176 A S H <> S+ 0 0 2 -3,-1.7 4,-2.3 -6,-0.4 -1,-0.3 0.786 89.2 60.9 -64.0 -24.9 20.3 -2.0 -21.6 137 177 A A H <> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.3 -1,-0.2 0.871 105.9 46.3 -65.2 -39.6 18.4 -4.4 -19.2 138 178 A S H X S+ 0 0 26 -4,-0.6 4,-2.1 -3,-0.4 -2,-0.2 0.898 110.9 51.6 -69.9 -40.5 18.1 -6.9 -22.0 139 179 A R H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.917 110.3 50.2 -59.6 -43.7 21.8 -6.4 -23.0 140 180 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.883 109.4 50.7 -62.4 -39.8 22.7 -7.1 -19.4 141 181 A A H X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.860 108.6 50.9 -68.2 -34.2 20.6 -10.2 -19.3 142 182 A E H X S+ 0 0 81 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.886 111.9 48.4 -67.5 -38.6 22.3 -11.5 -22.5 143 183 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 112.2 48.7 -61.4 -48.5 25.7 -10.9 -20.9 144 184 A T H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.929 109.0 53.3 -57.5 -47.8 24.6 -12.6 -17.7 145 185 A H H X S+ 0 0 88 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.940 109.2 49.1 -54.6 -48.1 23.2 -15.6 -19.7 146 186 A A H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.930 115.4 43.1 -57.5 -47.1 26.6 -16.0 -21.4 147 187 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.897 115.4 47.0 -69.7 -40.9 28.6 -15.8 -18.2 148 188 A V H X S+ 0 0 5 -4,-3.1 4,-2.2 2,-0.2 5,-0.3 0.887 113.0 50.1 -71.4 -36.5 26.3 -18.1 -16.2 149 189 A A H < S+ 0 0 59 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.909 117.5 41.7 -61.8 -40.6 26.2 -20.6 -19.1 150 190 A A H < S+ 0 0 34 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 137.9 6.4 -72.9 -40.6 30.0 -20.5 -19.2 151 191 A L H >X S+ 0 0 5 -4,-2.8 3,-1.6 -5,-0.1 4,-1.0 0.298 86.7 115.0-134.0 8.6 30.8 -20.5 -15.5 152 192 A G G >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.3 -3,-0.1 0.870 81.8 48.9 -56.2 -46.8 27.7 -21.1 -13.5 153 193 A D G 34 S+ 0 0 98 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.578 114.9 48.3 -69.4 -12.2 28.6 -24.5 -12.0 154 194 A Q G <4 S+ 0 0 79 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.499 103.5 61.4-106.2 -11.5 32.0 -23.0 -11.0 155 195 A I << - 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