==== 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 14-FEB-06 2G1A . COMPND 2 MOLECULE: CLASS B ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.LEONE,V.CALDERONE,E.CAPPELLETTI,M.BENVENUTI,S.MANGANI . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.9 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 0.7 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 . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.3 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 0 2 1 5 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 2 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 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 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 4 A S 0 0 166 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.8 33.4 15.8 41.6 2 5 A P - 0 0 93 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.216 360.0-126.7 -60.0 148.5 34.9 14.6 44.9 3 6 A L S S+ 0 0 61 1,-0.3 229,-0.2 2,-0.1 232,-0.2 0.907 112.1 27.6 -52.4 -45.2 37.9 12.3 44.5 4 7 A N S S+ 0 0 118 1,-0.1 -1,-0.3 231,-0.0 0, 0.0 -0.798 74.6 168.8-121.4 83.3 36.0 9.9 46.7 5 8 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.780 23.0-166.2 -69.9 -24.6 32.3 10.6 46.2 6 9 A G - 0 0 56 -4,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.097 6.3-133.3 60.6-169.9 31.0 7.6 48.0 7 10 A T - 0 0 85 4,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.913 4.6-132.9-160.1-176.6 27.3 6.5 47.6 8 11 A N > - 0 0 68 -2,-0.3 4,-2.2 1,-0.0 3,-0.1 -0.951 30.2-107.3-149.1 162.7 24.3 5.3 49.7 9 12 A V H > S+ 0 0 100 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.681 113.9 62.1 -73.4 -19.2 21.8 2.5 49.4 10 13 A A H > S+ 0 0 69 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.964 110.7 41.1 -63.6 -49.7 18.9 4.7 48.3 11 14 A R H >4 S+ 0 0 156 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.908 112.7 55.1 -64.4 -42.3 20.9 5.6 45.2 12 15 A L H 3< S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.4 37.5 -56.5 -46.8 22.1 2.0 44.8 13 16 A A H 3< S+ 0 0 17 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.510 88.9 128.0 -80.9 -5.6 18.5 0.6 44.7 14 17 A E << - 0 0 144 -4,-0.8 2,-0.4 -3,-0.7 -3,-0.0 -0.299 37.7-170.1 -63.8 130.4 17.1 3.6 42.7 15 18 A Q - 0 0 108 -2,-0.1 -2,-0.0 2,-0.0 -1,-0.0 -0.969 22.1-126.0-120.1 137.2 15.1 2.7 39.6 16 19 A A - 0 0 58 -2,-0.4 2,-2.0 1,-0.1 0, 0.0 -0.582 37.3-107.5 -71.7 142.1 13.8 5.0 36.8 17 20 A P + 0 0 142 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.533 66.3 151.0 -74.8 84.7 10.1 4.6 36.3 18 21 A I - 0 0 49 -2,-2.0 2,-1.4 185,-0.0 184,-0.1 -0.933 53.1-127.3-120.9 138.2 10.4 2.8 33.0 19 22 A H E -a 202 0A 112 182,-0.5 184,-2.2 -2,-0.4 2,-0.2 -0.667 38.0-170.6 -82.9 84.1 8.1 0.2 31.3 20 23 A W E +a 203 0A 98 -2,-1.4 2,-0.3 182,-0.2 184,-0.2 -0.559 6.4 179.5 -78.1 137.8 10.8 -2.5 30.6 21 24 A V E -a 204 0A 5 182,-2.5 184,-2.6 -2,-0.2 2,-0.2 -0.957 18.6-137.1-134.7 158.2 9.9 -5.5 28.4 22 25 A S > - 0 0 29 -2,-0.3 4,-2.3 182,-0.2 5,-0.2 -0.648 30.8-111.2-102.1 167.2 11.5 -8.6 27.1 23 26 A V H > S+ 0 0 24 -2,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 121.6 54.6 -57.9 -44.1 11.4 -10.2 23.6 24 27 A A H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 107.9 49.2 -57.2 -42.5 9.4 -13.1 25.2 25 28 A Q H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 111.1 48.9 -64.4 -44.8 6.9 -10.5 26.7 26 29 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.965 112.8 48.0 -58.1 -50.9 6.4 -8.8 23.3 27 30 A E H >< S+ 0 0 71 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.921 109.6 53.3 -57.6 -41.9 5.9 -12.3 21.6 28 31 A N H >< S+ 0 0 98 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.912 103.5 57.0 -57.6 -42.9 3.4 -13.2 24.3 29 32 A S H 3< S+ 0 0 56 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.681 107.1 50.3 -62.4 -17.4 1.5 -10.0 23.6 30 33 A L T X< S+ 0 0 1 -3,-1.2 3,-1.9 -4,-0.8 -1,-0.3 0.261 76.6 140.2-105.6 7.6 1.1 -11.1 19.9 31 34 A A T < S+ 0 0 79 -3,-1.8 -3,-0.1 1,-0.3 -4,-0.0 -0.314 77.5 6.8 -61.6 127.2 -0.2 -14.6 20.6 32 35 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -2,-0.0 -2,-0.1 0.220 94.8 133.0 85.6 -12.9 -2.9 -15.5 18.1 33 36 A R < - 0 0 112 -3,-1.9 -1,-0.3 1,-0.1 3,-0.1 -0.557 58.8-118.0 -76.6 130.0 -2.4 -12.3 16.0 34 37 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 -0.102 47.2 -66.9 -62.0 159.8 -2.2 -13.0 12.3 35 38 A P + 0 0 93 0, 0.0 2,-0.3 0, 0.0 68,-0.1 -0.191 67.0 170.8 -44.3 138.8 0.9 -12.2 10.2 36 39 A M - 0 0 23 62,-0.2 68,-2.2 -3,-0.1 2,-0.4 -0.886 37.1 -87.7-145.1 173.7 1.5 -8.4 10.0 37 40 A A E +bc 104 158A 13 120,-0.7 122,-2.6 -2,-0.3 123,-0.6 -0.758 42.7 178.9 -88.0 128.6 4.1 -5.8 8.9 38 41 A V E -bc 105 160A 0 66,-2.6 68,-1.8 -2,-0.4 2,-0.3 -0.885 10.4-149.9-124.3 160.7 6.7 -4.8 11.5 39 42 A G E -bc 106 161A 0 121,-2.6 123,-2.2 -2,-0.3 2,-0.4 -0.972 7.8-159.7-137.5 151.9 9.5 -2.3 11.1 40 43 A F E -bc 107 162A 0 66,-2.2 68,-2.2 -2,-0.3 123,-0.2 -0.992 17.7-136.6-127.3 132.8 13.0 -1.6 12.4 41 44 A D - 0 0 11 121,-2.9 68,-0.2 -2,-0.4 5,-0.2 -0.410 25.8-144.3 -64.4 162.0 15.1 1.5 12.5 42 45 A I >>> + 0 0 1 66,-0.3 4,-2.5 3,-0.2 5,-2.0 0.898 68.8 69.6 -97.0 -65.3 18.7 0.5 11.3 43 46 A D B 345S-f 47 0B 26 1,-0.3 121,-0.3 2,-0.2 5,-0.2 -0.360 122.2 -8.6 -75.2 129.3 21.4 2.4 13.2 44 47 A D T 345S+ 0 0 3 3,-2.9 -1,-0.3 -2,-0.1 4,-0.2 0.575 130.4 72.7 56.1 16.3 21.8 1.5 16.9 45 48 A T T <45S- 0 0 0 -3,-1.8 46,-0.2 2,-0.4 -2,-0.2 0.702 122.7 -6.0-114.2 -58.0 18.6 -0.6 16.5 46 49 A V T <5S+ 0 0 0 -4,-2.5 42,-2.3 1,-0.2 2,-0.4 0.682 135.0 41.3-108.5 -27.7 19.7 -3.6 14.5 47 50 A L E < -fG 43 87B 0 -5,-2.0 -3,-2.9 40,-0.2 2,-1.3 -0.980 65.8-139.9-123.0 134.3 23.3 -2.6 13.6 48 51 A F E + G 0 86B 2 38,-3.3 38,-2.3 -2,-0.4 -5,-0.1 -0.797 40.0 164.1 -81.5 95.1 26.1 -1.0 15.7 49 52 A S >> + 0 0 3 -2,-1.3 4,-1.5 36,-0.2 3,-0.9 0.342 35.3 109.6-105.0 0.6 27.1 1.1 12.7 50 53 A S H 3> + 0 0 4 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.773 68.3 68.9 -42.2 -36.6 29.2 3.7 14.5 51 54 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.928 105.1 39.8 -54.7 -47.3 32.4 2.2 12.9 52 55 A G H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.844 117.7 48.6 -67.5 -38.5 31.4 3.5 9.5 53 56 A F H X S+ 0 0 26 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.888 111.0 51.0 -68.7 -41.2 30.1 6.8 10.9 54 57 A W H X S+ 0 0 41 -4,-3.6 4,-2.3 2,-0.2 -2,-0.2 0.922 111.4 47.2 -58.2 -51.1 33.3 7.2 12.9 55 58 A R H X S+ 0 0 74 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.892 112.3 50.8 -57.7 -41.1 35.5 6.6 9.8 56 59 A G H X>S+ 0 0 0 -4,-2.0 4,-3.6 2,-0.2 5,-0.6 0.903 109.3 49.7 -66.0 -43.8 33.4 9.0 7.7 57 60 A K H X5S+ 0 0 47 -4,-2.5 4,-1.7 2,-0.2 7,-0.2 0.947 115.9 42.7 -57.1 -50.0 33.6 11.8 10.3 58 61 A K H <5S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.901 121.6 42.0 -61.4 -43.3 37.5 11.4 10.5 59 62 A T H <5S+ 0 0 70 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.920 129.8 20.0 -69.7 -48.2 37.7 11.1 6.7 60 63 A F H <5S+ 0 0 55 -4,-3.6 -3,-0.2 1,-0.2 -2,-0.2 0.667 137.9 7.2-107.2 -23.3 35.2 13.8 5.5 61 64 A S ><< + 0 0 8 -4,-1.7 3,-1.4 -5,-0.6 6,-0.2 -0.363 57.3 172.3-160.3 74.2 34.7 16.3 8.4 62 65 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.726 86.7 37.4 -57.3 -26.8 37.0 15.7 11.4 63 66 A E T 3 S+ 0 0 196 -6,-0.1 2,-0.2 -5,-0.1 -5,-0.1 0.298 122.6 25.1-111.6 8.5 35.9 19.0 13.1 64 67 A S S < S- 0 0 37 -3,-1.4 3,-0.2 -7,-0.2 -3,-0.1 -0.842 77.2-104.1-151.2-170.9 32.2 19.0 12.2 65 68 A E S > S+ 0 0 111 -2,-0.2 3,-1.8 1,-0.1 4,-0.2 0.185 80.3 111.8-106.9 13.0 29.1 17.1 11.2 66 69 A D G > + 0 0 90 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.691 61.1 75.5 -62.5 -21.3 29.2 18.0 7.5 67 70 A Y G > S+ 0 0 14 1,-0.3 3,-1.4 -3,-0.2 -1,-0.3 0.825 87.0 63.5 -57.6 -29.5 30.1 14.4 6.6 68 71 A L G < S+ 0 0 57 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.623 106.9 42.2 -71.2 -13.4 26.4 13.7 7.2 69 72 A K G < S+ 0 0 164 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.150 92.9 104.8-112.5 17.8 25.6 16.0 4.3 70 73 A N X> - 0 0 43 -3,-1.4 4,-1.7 1,-0.1 3,-0.9 -0.872 57.2-157.6-111.2 107.4 28.3 14.7 2.1 71 74 A P H 3> S+ 0 0 93 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.796 94.0 62.0 -53.4 -33.7 27.2 12.4 -0.8 72 75 A V H 3> S+ 0 0 82 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.897 104.5 47.6 -59.5 -46.3 30.7 10.9 -1.0 73 76 A F H <> S+ 0 0 0 -3,-0.9 4,-2.8 -6,-0.2 3,-0.4 0.963 111.5 49.4 -57.1 -54.7 30.3 9.7 2.6 74 77 A W H X S+ 0 0 18 -4,-1.7 4,-2.5 -7,-0.3 5,-0.2 0.890 106.0 56.1 -58.5 -40.9 26.9 8.2 2.0 75 78 A E H < S+ 0 0 58 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.917 113.5 41.9 -55.3 -43.2 28.0 6.3 -1.1 76 79 A K H ><>S+ 0 0 106 -4,-1.5 5,-1.7 -3,-0.4 3,-0.8 0.933 115.5 50.1 -64.4 -48.2 30.7 4.7 1.1 77 80 A M H 3<5S+ 0 0 0 -4,-2.8 5,-0.4 1,-0.2 3,-0.4 0.780 115.5 40.4 -62.4 -36.0 28.4 4.1 4.0 78 81 A N T 3<5S+ 0 0 0 -4,-2.5 40,-3.2 -5,-0.2 41,-0.7 0.392 114.7 52.5 -98.4 -2.0 25.6 2.4 2.0 79 82 A N T < 5S- 0 0 51 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.028 132.5 -30.3-128.3 27.7 27.8 0.3 -0.3 80 83 A G T > 5S+ 0 0 26 -3,-0.4 3,-2.1 -4,-0.1 4,-0.2 0.188 103.4 96.1 154.1 -24.9 30.1 -1.6 2.0 81 84 A W G > S+ 0 0 2 -5,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.570 74.2 81.2 -72.8 -6.8 28.3 -1.9 7.0 83 86 A E G < S+ 0 0 60 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.748 96.8 46.3 -61.0 -20.0 30.6 -5.0 6.6 84 87 A F G < S+ 0 0 3 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.390 90.8 106.3-100.9 0.9 32.2 -3.4 9.8 85 88 A S < - 0 0 0 -3,-0.9 -36,-0.2 -34,-0.1 -3,-0.0 -0.616 68.5-132.9 -80.4 143.8 28.8 -2.8 11.5 86 89 A I E -G 48 0B 9 -38,-2.3 -38,-3.3 -2,-0.3 -36,-0.1 -0.860 15.5-126.7-106.2 119.0 28.1 -5.2 14.4 87 90 A P E -G 47 0B 12 0, 0.0 2,-0.5 0, 0.0 -40,-0.2 -0.347 23.7-125.5 -62.5 138.6 24.6 -6.9 14.5 88 91 A K > - 0 0 6 -42,-2.3 4,-1.7 121,-0.2 3,-0.4 -0.770 4.7-141.3 -90.3 131.5 22.8 -6.4 17.8 89 92 A E H > S+ 0 0 77 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.806 102.5 61.5 -60.2 -31.3 21.7 -9.6 19.5 90 93 A V H > S+ 0 0 4 119,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.935 106.3 47.5 -62.6 -41.1 18.4 -7.9 20.6 91 94 A A H > S+ 0 0 0 -3,-0.4 4,-3.3 -46,-0.2 5,-0.3 0.875 107.8 53.9 -65.3 -42.5 17.7 -7.5 16.8 92 95 A R H X S+ 0 0 66 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.941 111.7 47.2 -53.7 -49.7 18.6 -11.2 16.0 93 96 A Q H X S+ 0 0 104 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 116.0 42.9 -59.3 -49.4 16.1 -12.2 18.7 94 97 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.905 114.6 48.7 -65.7 -44.5 13.3 -9.9 17.5 95 98 A I H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 5,-0.3 0.942 113.1 48.6 -64.1 -41.7 13.8 -10.6 13.7 96 99 A D H X S+ 0 0 89 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.922 112.3 49.9 -59.7 -43.3 13.8 -14.4 14.5 97 100 A M H X S+ 0 0 8 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.906 114.4 42.4 -62.4 -44.8 10.6 -14.0 16.5 98 101 A H H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.5 0.861 112.8 52.8 -73.9 -38.2 8.8 -12.0 13.9 99 102 A V H ><5S+ 0 0 33 -4,-2.9 3,-1.3 -5,-0.2 -2,-0.2 0.912 107.3 52.6 -59.8 -41.6 10.0 -14.3 11.0 100 103 A R H 3<5S+ 0 0 208 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.7 53.8 -65.4 -32.5 8.7 -17.3 13.0 101 104 A R T 3<5S- 0 0 46 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.638 117.8-116.9 -68.2 -18.1 5.3 -15.4 13.2 102 105 A G T < 5 + 0 0 37 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.660 60.4 159.8 81.7 18.0 5.4 -15.1 9.4 103 106 A D < - 0 0 1 -5,-2.7 2,-0.4 -68,-0.1 -66,-0.2 -0.319 46.5-112.8 -69.1 151.7 5.5 -11.3 9.8 104 107 A A E -b 37 0A 32 -68,-2.2 -66,-2.6 -2,-0.0 2,-0.5 -0.758 31.8-142.2 -77.7 132.7 6.7 -9.0 7.0 105 108 A I E -b 38 0A 0 28,-2.8 30,-0.3 -2,-0.4 2,-0.3 -0.902 21.3-177.3-105.5 122.8 10.0 -7.3 8.0 106 109 A F E -b 39 0A 17 -68,-1.8 -66,-2.2 -2,-0.5 2,-0.4 -0.903 15.4-155.1-116.9 145.5 10.7 -3.7 7.0 107 110 A F E -b 40 0A 0 -2,-0.3 31,-3.3 29,-0.3 2,-0.5 -0.994 9.9-173.3-119.0 125.5 13.7 -1.4 7.5 108 111 A V E -h 138 0C 0 -68,-2.2 2,-0.3 -2,-0.4 -66,-0.3 -0.951 11.6-178.8-124.2 109.3 13.1 2.4 7.6 109 112 A T E -h 139 0C 0 29,-2.9 31,-3.1 -2,-0.5 -68,-0.1 -0.828 34.3-152.9-115.5 145.3 16.2 4.5 7.7 110 113 A G + 0 0 51 -2,-0.3 29,-0.1 29,-0.2 -1,-0.1 0.316 61.3 122.8 -90.5 2.9 16.9 8.2 7.9 111 114 A R S S- 0 0 5 1,-0.1 -2,-0.1 30,-0.1 29,-0.0 -0.319 76.9 -93.5 -55.0 147.5 20.3 7.6 6.1 112 115 A S - 0 0 19 -44,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.439 44.2-110.5 -66.8 139.1 20.6 9.7 2.9 113 116 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 -38,-0.1 -0.416 35.7-163.7 -69.7 149.2 19.6 7.8 -0.2 114 117 A T - 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0 0 12 -5,-1.6 -1,-0.2 -6,-0.3 5,-0.1 -0.715 28.9-124.5 -83.8 118.1 15.8 -13.2 6.9 130 133 A P >> - 0 0 57 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.268 20.7-114.4 -59.8 148.2 13.9 -15.4 4.3 131 134 A A T 34 S+ 0 0 94 1,-0.3 3,-0.1 2,-0.2 -2,-0.0 0.847 116.2 57.9 -51.5 -39.5 13.1 -13.8 0.9 132 135 A T T 34 S+ 0 0 132 1,-0.2 -1,-0.3 -28,-0.0 -3,-0.0 0.811 114.4 37.0 -65.4 -30.3 9.4 -14.0 1.7 133 136 A N T <4 S+ 0 0 15 -3,-1.2 -28,-2.8 -29,-0.1 -1,-0.2 0.640 100.7 93.5 -92.0 -17.4 9.8 -11.9 4.9 134 137 A M < - 0 0 30 -4,-1.7 -28,-0.1 -30,-0.1 -14,-0.0 -0.488 49.6-176.1 -82.4 147.0 12.5 -9.5 3.6 135 138 A N - 0 0 43 -30,-0.3 -28,-0.2 -2,-0.2 3,-0.1 -0.995 36.3 -94.2-137.5 144.7 11.8 -6.1 2.0 136 139 A P - 0 0 96 0, 0.0 -29,-0.3 0, 0.0 -17,-0.0 -0.227 54.2 -92.9 -56.7 140.0 14.2 -3.6 0.5 137 140 A V - 0 0 12 -31,-0.1 2,-0.5 1,-0.1 -29,-0.2 -0.250 37.7-137.0 -51.9 135.8 15.4 -0.9 2.9 138 141 A I E -h 108 0C 17 -31,-3.3 -29,-2.9 -3,-0.1 2,-0.7 -0.883 6.7-150.2 -99.6 127.0 13.2 2.2 2.8 139 142 A F E -h 109 0C 35 -2,-0.5 8,-0.4 -31,-0.2 2,-0.3 -0.891 23.7-175.2-100.1 111.9 15.1 5.6 2.9 140 143 A A + 0 0 3 -31,-3.1 2,-0.3 -2,-0.7 8,-0.2 -0.734 21.1 102.3-106.1 151.0 12.8 8.1 4.6 141 144 A G S S- 0 0 22 6,-2.6 -30,-0.1 -2,-0.3 -31,-0.0 -0.997 71.3 -73.1 167.2-159.1 13.3 11.8 5.2 142 145 A D S S+ 0 0 154 -2,-0.3 3,-0.1 3,-0.0 6,-0.1 0.285 75.2 119.4-116.4 13.9 12.4 15.3 4.1 143 146 A K S > S- 0 0 93 1,-0.2 3,-2.3 4,-0.1 -2,-0.1 -0.384 82.3 -72.7 -70.8 152.8 14.2 15.8 0.8 144 147 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.197 122.7 15.1 -47.7 134.1 12.0 16.5 -2.3 145 148 A G T 3 S+ 0 0 93 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.411 104.5 113.3 79.8 -3.9 10.1 13.4 -3.4 146 149 A Q < - 0 0 38 -3,-2.3 2,-0.3 -6,-0.0 -1,-0.3 -0.526 56.7-140.1 -89.7 163.0 10.8 11.6 -0.1 147 150 A N - 0 0 63 -8,-0.4 -6,-2.6 -2,-0.2 -4,-0.1 -0.914 23.9-110.0-117.6 156.0 8.3 10.5 2.6 148 151 A T > - 0 0 62 -2,-0.3 4,-1.9 -8,-0.2 3,-0.2 -0.320 33.7-102.2 -74.6 162.9 8.9 10.7 6.3 149 152 A K H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.870 123.8 54.4 -49.5 -44.7 9.3 7.6 8.6 150 153 A S H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 105.2 49.9 -54.7 -49.8 5.7 8.2 9.6 151 154 A Q H > S+ 0 0 97 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.856 111.4 49.4 -63.2 -39.1 4.2 8.2 6.1 152 155 A W H X S+ 0 0 58 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.864 108.6 52.1 -66.1 -40.2 6.1 4.9 5.3 153 156 A L H <>S+ 0 0 1 -4,-1.9 5,-2.5 2,-0.2 4,-0.3 0.917 114.1 44.8 -60.7 -44.7 4.8 3.2 8.5 154 157 A Q H ><5S+ 0 0 120 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.920 113.3 50.6 -60.0 -46.6 1.4 4.3 7.4 155 158 A D H 3<5S+ 0 0 102 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 116.4 38.8 -61.8 -43.1 2.0 3.2 3.8 156 159 A K T 3<5S- 0 0 78 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.338 107.7-122.5 -90.4 8.2 3.3 -0.3 4.7 157 160 A N T < 5 - 0 0 97 -3,-1.0 -120,-0.7 -4,-0.3 2,-0.5 0.902 41.6-176.3 43.3 48.9 0.7 -0.8 7.5 158 161 A I E < -c 37 0A 0 -5,-2.5 -120,-0.2 -6,-0.2 -1,-0.2 -0.649 13.3-174.1 -74.7 120.5 3.5 -1.3 10.0 159 162 A R E + 0 0 81 -122,-2.6 19,-2.6 -2,-0.5 2,-0.4 0.623 69.5 33.2 -92.9 -19.0 1.9 -2.1 13.4 160 163 A I E -cd 38 178A 0 -123,-0.6 -121,-2.6 17,-0.2 2,-0.4 -0.992 65.1-170.1-141.3 128.5 5.1 -2.2 15.5 161 164 A F E -cd 39 179A 0 17,-2.7 19,-2.8 -2,-0.4 2,-0.4 -0.991 6.8-157.9-124.3 128.0 8.2 -0.0 15.0 162 165 A Y E +cd 40 180A 0 -123,-2.2 -121,-2.9 -2,-0.4 2,-0.3 -0.898 27.9 143.9-105.4 135.4 11.5 -0.6 16.9 163 166 A G E - d 0 181A 0 17,-1.9 19,-1.8 -2,-0.4 -119,-0.1 -0.990 47.7-140.8-165.4 159.6 14.0 2.2 17.2 164 167 A D S S+ 0 0 3 -121,-0.3 20,-0.2 -2,-0.3 2,-0.2 0.685 79.8 76.9 -98.3 -24.1 16.6 3.8 19.5 165 168 A S S >> S- 0 0 9 1,-0.1 4,-1.2 18,-0.1 3,-1.0 -0.535 83.8-119.6 -91.3 156.2 15.8 7.5 18.7 166 169 A D H 3> S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.903 113.5 60.5 -53.3 -41.9 13.0 9.7 20.0 167 170 A N H 3> S+ 0 0 84 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.699 98.4 55.6 -65.6 -23.8 11.9 10.2 16.3 168 171 A D H <> S+ 0 0 0 -3,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.876 110.8 45.3 -71.3 -40.6 11.4 6.5 15.8 169 172 A I H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.5 -2,-0.2 0.916 114.9 45.9 -69.0 -47.6 8.9 6.4 18.7 170 173 A T H X S+ 0 0 51 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.894 107.4 58.8 -65.7 -39.0 7.1 9.5 17.7 171 174 A A H X S+ 0 0 6 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.947 111.2 41.7 -51.4 -49.5 6.9 8.3 14.1 172 175 A A H ><>S+ 0 0 0 -4,-1.6 5,-3.2 1,-0.2 3,-1.0 0.934 115.1 50.4 -64.1 -48.6 5.0 5.2 15.3 173 176 A R H ><5S+ 0 0 114 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.899 101.8 62.8 -55.2 -46.8 2.8 7.2 17.8 174 177 A D H 3<5S+ 0 0 125 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.738 114.6 32.3 -51.0 -30.1 1.9 9.7 15.0 175 178 A V T <<5S- 0 0 33 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.250 118.9-104.9-115.0 11.1 0.2 7.0 13.1 176 179 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 -4,-0.3 2,-0.2 0.732 72.4 139.4 75.6 23.4 -1.0 4.9 16.0 177 180 A A < - 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