==== 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 28-NOV-03 1RMY . COMPND 2 MOLECULE: CLASS B ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.CALDERONE,C.FORLEO,M.BENVENUTI,G.M.ROSSOLINI,M.C.THALLER,S . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 13.9 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 . 23 5.5 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 . 108 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.1 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 4 2 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 2 6 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 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.1 10.9 -16.0 -2.3 2 5 A P - 0 0 89 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.163 360.0-125.3 -63.1 148.8 12.6 -14.7 -5.4 3 6 A L S S+ 0 0 64 1,-0.3 232,-0.2 2,-0.1 229,-0.1 0.909 112.6 26.5 -51.4 -49.3 15.6 -12.3 -5.2 4 7 A N S S+ 0 0 119 1,-0.1 -1,-0.3 231,-0.0 0, 0.0 -0.828 75.1 172.1-115.5 87.5 13.7 -9.9 -7.4 5 8 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.792 23.4-161.6 -74.7 -23.1 10.0 -10.6 -6.8 6 9 A G - 0 0 66 -4,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.092 3.3-132.4 72.0-176.4 8.6 -7.7 -8.7 7 10 A T - 0 0 90 4,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.925 6.5-140.1-158.9 179.9 5.1 -6.3 -8.2 8 11 A N > - 0 0 93 -2,-0.3 4,-2.3 1,-0.0 5,-0.1 -0.956 30.7-107.8-150.0 163.3 2.0 -5.2 -10.2 9 12 A V H > S+ 0 0 101 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.696 115.3 60.4 -73.9 -19.1 -0.5 -2.4 -9.9 10 13 A A H > S+ 0 0 72 2,-0.2 4,-0.9 1,-0.1 3,-0.3 0.984 111.7 41.5 -64.1 -50.4 -3.3 -4.8 -8.8 11 14 A R H >4 S+ 0 0 171 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.879 114.7 51.8 -61.0 -43.5 -1.2 -5.6 -5.8 12 15 A L H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.4 38.4 -64.2 -36.8 -0.0 -2.0 -5.3 13 16 A A H 3< S+ 0 0 19 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.492 89.0 128.1 -90.9 -4.2 -3.6 -0.6 -5.3 14 17 A E << - 0 0 130 -4,-0.9 2,-0.4 -3,-0.5 -3,-0.0 -0.255 37.3-170.0 -65.9 133.5 -5.0 -3.6 -3.3 15 18 A Q - 0 0 107 -2,-0.0 -2,-0.1 2,-0.0 -1,-0.0 -0.963 20.8-130.5-121.6 135.0 -7.1 -2.7 -0.2 16 19 A A - 0 0 58 -2,-0.4 2,-1.8 1,-0.1 0, 0.0 -0.606 38.8-105.5 -72.3 145.2 -8.4 -5.1 2.5 17 20 A P + 0 0 139 0, 0.0 2,-0.4 0, 0.0 183,-0.1 -0.573 64.7 154.3 -78.3 84.3 -12.1 -4.5 3.2 18 21 A I - 0 0 44 -2,-1.8 2,-1.5 185,-0.0 184,-0.1 -0.907 50.8-127.6-111.7 136.7 -11.6 -2.7 6.5 19 22 A H E -a 202 0A 110 182,-0.6 184,-2.6 -2,-0.4 2,-0.2 -0.666 37.7-168.7 -81.6 85.2 -14.0 -0.2 8.0 20 23 A W E +a 203 0A 96 -2,-1.5 2,-0.3 182,-0.2 184,-0.2 -0.550 8.5 177.2 -74.1 138.8 -11.4 2.5 8.6 21 24 A V E -a 204 0A 5 182,-2.3 184,-2.8 -2,-0.2 2,-0.3 -0.943 19.7-135.2-135.4 161.2 -12.4 5.5 10.8 22 25 A S > - 0 0 27 -2,-0.3 4,-2.2 182,-0.2 5,-0.2 -0.741 29.2-113.0-107.7 164.1 -10.8 8.6 12.1 23 26 A V H > S+ 0 0 19 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.908 120.7 55.5 -57.2 -43.9 -10.9 10.1 15.6 24 27 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 107.8 48.4 -56.7 -40.5 -12.9 13.0 14.0 25 28 A Q H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 110.7 49.7 -68.1 -41.8 -15.5 10.6 12.6 26 29 A I H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.946 112.0 48.9 -59.5 -51.0 -15.9 8.8 15.9 27 30 A E H >< S+ 0 0 69 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.925 109.6 52.4 -55.4 -42.7 -16.3 12.2 17.6 28 31 A N H >< S+ 0 0 99 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.887 103.7 57.5 -62.0 -38.3 -18.9 13.2 15.0 29 32 A S H 3< S+ 0 0 46 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.689 107.3 48.9 -66.4 -17.2 -20.8 9.9 15.7 30 33 A L T X< S+ 0 0 0 -3,-1.3 3,-2.5 -4,-0.8 -1,-0.3 0.267 78.0 141.7-103.5 8.3 -21.2 11.0 19.3 31 34 A A T < S+ 0 0 77 -3,-1.6 -3,-0.1 1,-0.3 -4,-0.0 -0.289 76.8 6.0 -62.4 130.4 -22.4 14.5 18.7 32 35 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.382 94.5 130.9 79.0 -2.8 -25.1 15.5 21.2 33 36 A R < - 0 0 99 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.683 59.5-120.6 -82.2 134.3 -24.6 12.3 23.2 34 37 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 -0.179 48.6 -61.5 -67.0 169.1 -24.3 13.1 27.0 35 38 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.149 66.1 172.0 -50.8 139.1 -21.2 12.1 29.0 36 39 A M - 0 0 23 62,-0.1 68,-1.8 -3,-0.1 2,-0.4 -0.893 36.2 -93.3-144.1 168.2 -20.7 8.3 29.1 37 40 A A E -bc 104 158A 13 120,-0.6 122,-2.8 -2,-0.3 123,-0.6 -0.748 41.2-179.8 -89.4 135.5 -18.1 5.8 30.2 38 41 A V E -bc 105 160A 0 66,-2.7 68,-1.9 -2,-0.4 2,-0.3 -0.934 9.0-152.0-130.6 161.7 -15.5 4.7 27.7 39 42 A G E -bc 106 161A 0 121,-2.6 123,-2.7 -2,-0.3 2,-0.4 -0.939 6.6-157.6-139.7 155.6 -12.7 2.3 28.2 40 43 A F E -bc 107 162A 0 66,-2.2 68,-2.2 -2,-0.3 123,-0.2 -0.996 18.2-133.2-133.1 136.0 -9.2 1.5 26.8 41 44 A D - 0 0 15 121,-2.9 68,-0.2 -2,-0.4 5,-0.1 -0.393 25.9-144.4 -63.5 155.8 -7.0 -1.6 26.8 42 45 A I >>> + 0 0 1 66,-0.3 4,-2.3 3,-0.2 5,-2.3 0.889 69.3 71.7 -90.4 -61.9 -3.5 -0.5 27.8 43 46 A D B 345S-f 47 0B 27 1,-0.3 121,-0.3 2,-0.2 5,-0.2 -0.433 121.5 -10.2 -77.8 120.8 -0.8 -2.5 26.0 44 47 A D T 345S+ 0 0 3 3,-3.1 -1,-0.3 -2,-0.3 4,-0.2 0.518 129.6 73.8 70.4 11.1 -0.4 -1.5 22.3 45 48 A T T <45S- 0 0 0 -3,-1.7 46,-0.2 2,-0.4 -2,-0.2 0.713 123.1 -8.0-110.7 -53.2 -3.6 0.5 22.6 46 49 A V T <5S+ 0 0 0 -4,-2.3 42,-2.2 1,-0.3 2,-0.4 0.660 134.7 42.6-114.7 -25.8 -2.5 3.5 24.6 47 50 A L E < -fG 43 87B 0 -5,-2.3 -3,-3.1 40,-0.2 2,-1.5 -0.983 64.5-142.9-122.6 131.6 1.1 2.5 25.6 48 51 A F E + G 0 86B 3 38,-2.8 38,-2.4 -2,-0.4 -5,-0.1 -0.767 38.1 164.5 -80.4 92.0 3.8 0.9 23.5 49 52 A S >> + 0 0 3 -2,-1.5 4,-1.6 36,-0.2 3,-0.7 0.318 35.0 111.4 -98.0 4.6 4.9 -1.1 26.6 50 53 A S H 3> + 0 0 3 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.786 67.1 68.9 -47.3 -34.1 7.0 -3.6 24.6 51 54 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.954 105.8 39.1 -54.2 -51.6 10.2 -2.1 26.2 52 55 A G H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 -2,-0.2 0.877 118.2 48.3 -62.2 -39.2 9.2 -3.5 29.7 53 56 A F H X S+ 0 0 24 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.894 112.3 49.5 -69.3 -39.3 7.9 -6.8 28.2 54 57 A W H X S+ 0 0 40 -4,-3.7 4,-2.4 2,-0.2 -2,-0.2 0.926 114.9 44.4 -60.0 -52.1 11.1 -7.1 26.1 55 58 A R H X S+ 0 0 71 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.934 113.5 51.8 -59.0 -42.8 13.2 -6.5 29.2 56 59 A G H X>S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.6 0.918 110.7 46.3 -60.7 -46.1 10.9 -8.8 31.3 57 60 A K H X5S+ 0 0 52 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.930 114.5 47.8 -65.1 -44.3 11.3 -11.7 28.8 58 61 A K H <5S+ 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.905 119.5 38.7 -59.8 -42.1 15.1 -11.2 28.6 59 62 A T H <5S+ 0 0 73 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.903 129.4 24.1 -77.9 -42.7 15.5 -11.1 32.4 60 63 A F H <5S+ 0 0 56 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.701 136.2 7.7-106.2 -26.2 13.0 -13.7 33.6 61 64 A S ><< + 0 0 9 -4,-1.6 3,-1.7 -5,-0.6 6,-0.2 -0.349 57.5 169.2-155.7 68.2 12.4 -16.2 30.8 62 65 A P T 3 S+ 0 0 66 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.724 84.6 41.0 -57.1 -20.8 14.7 -15.8 27.8 63 66 A E T 3 S+ 0 0 174 -6,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.346 122.0 19.4-111.1 7.5 13.6 -19.1 26.3 64 67 A S S < S- 0 0 41 -3,-1.7 3,-0.3 -7,-0.2 -3,-0.1 -0.855 78.1 -99.9-156.2-174.8 9.8 -19.0 27.0 65 68 A E S > S+ 0 0 113 -2,-0.2 3,-1.7 1,-0.2 4,-0.2 0.139 81.7 113.8 -99.3 11.7 6.7 -17.0 27.8 66 69 A D G > + 0 0 91 1,-0.3 3,-2.6 2,-0.2 -1,-0.2 0.780 58.0 75.2 -59.4 -27.1 7.0 -18.0 31.5 67 70 A Y G > S+ 0 0 14 1,-0.3 3,-1.6 -3,-0.3 -1,-0.3 0.786 84.9 64.9 -54.8 -30.1 7.8 -14.4 32.6 68 71 A L G < S+ 0 0 56 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.560 105.8 44.7 -71.8 -7.7 4.1 -13.5 32.1 69 72 A K G < S+ 0 0 165 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.160 91.7 102.5-111.6 11.6 3.4 -15.9 34.9 70 73 A N X> - 0 0 48 -3,-1.6 4,-1.7 1,-0.1 3,-1.1 -0.861 58.9-156.3-106.6 110.2 6.1 -14.6 37.1 71 74 A P H 3> S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.772 94.4 62.0 -53.4 -30.5 5.0 -12.3 40.0 72 75 A V H 3> S+ 0 0 84 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.855 104.4 48.6 -64.3 -37.5 8.5 -10.8 40.1 73 76 A F H <> S+ 0 0 0 -3,-1.1 4,-2.8 -6,-0.2 -1,-0.2 0.946 111.0 48.7 -63.6 -52.4 8.1 -9.6 36.5 74 77 A W H X S+ 0 0 16 -4,-1.7 4,-2.7 -7,-0.2 5,-0.2 0.883 105.5 56.6 -63.0 -39.0 4.7 -8.0 37.1 75 78 A E H X S+ 0 0 55 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.934 114.1 41.6 -56.1 -43.4 5.8 -6.1 40.2 76 79 A K H ><>S+ 0 0 105 -4,-1.4 5,-1.8 1,-0.2 3,-0.7 0.915 115.2 49.8 -64.0 -48.4 8.5 -4.5 38.0 77 80 A M H 3<5S+ 0 0 0 -4,-2.8 5,-0.4 1,-0.2 3,-0.4 0.832 116.9 40.1 -65.2 -35.2 6.2 -4.0 35.0 78 81 A N H 3<5S+ 0 0 0 -4,-2.7 40,-2.8 -5,-0.2 41,-0.6 0.431 114.0 52.7 -96.2 0.2 3.4 -2.3 37.1 79 82 A N T <<5S- 0 0 51 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.074 132.9 -32.8-127.5 26.5 5.5 -0.2 39.4 80 83 A G T > 5S+ 0 0 20 -3,-0.4 3,-2.2 -4,-0.2 4,-0.2 0.250 102.4 98.6 151.2 -21.9 7.8 1.8 37.1 81 84 A W G > S+ 0 0 2 -5,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.590 73.1 81.1 -69.1 -6.1 6.1 2.0 32.2 83 86 A E G < S+ 0 0 67 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.728 96.7 46.5 -61.5 -21.4 8.4 5.0 32.5 84 87 A F G < S+ 0 0 4 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.419 90.5 106.6 -98.9 -2.4 9.9 3.4 29.4 85 88 A S < - 0 0 0 -3,-1.0 -36,-0.2 -4,-0.1 -3,-0.0 -0.601 68.2-132.3 -78.5 141.4 6.5 2.9 27.7 86 89 A I E -G 48 0B 12 -38,-2.4 -38,-2.8 -2,-0.3 -36,-0.1 -0.825 16.0-129.8-101.0 115.2 5.7 5.2 24.8 87 90 A P E -G 47 0B 11 0, 0.0 2,-0.4 0, 0.0 -40,-0.2 -0.341 25.2-122.5 -58.9 141.0 2.3 6.8 24.8 88 91 A K > - 0 0 5 -42,-2.2 4,-2.0 121,-0.2 3,-0.2 -0.699 4.4-139.6 -89.2 134.9 0.5 6.4 21.4 89 92 A E H > S+ 0 0 75 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.857 104.4 60.2 -58.9 -37.4 -0.7 9.6 19.6 90 93 A V H > S+ 0 0 5 119,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.936 106.7 47.9 -58.3 -38.6 -3.9 7.9 18.7 91 94 A A H > S+ 0 0 0 -3,-0.2 4,-3.1 -46,-0.2 5,-0.3 0.891 107.2 54.5 -69.0 -39.7 -4.6 7.5 22.4 92 95 A R H X S+ 0 0 66 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.932 112.3 45.3 -55.3 -44.6 -3.7 11.2 23.1 93 96 A Q H X S+ 0 0 95 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.944 115.8 44.9 -69.6 -46.1 -6.3 12.2 20.5 94 97 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.928 115.1 46.7 -61.8 -46.9 -9.0 9.9 21.7 95 98 A I H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.942 112.7 50.3 -65.5 -41.3 -8.5 10.6 25.4 96 99 A D H X S+ 0 0 90 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.921 112.4 48.7 -57.4 -42.1 -8.5 14.4 24.7 97 100 A M H X S+ 0 0 8 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.907 113.7 44.4 -65.6 -43.8 -11.7 14.0 22.7 98 101 A H H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.6 0.903 112.5 52.0 -71.3 -40.7 -13.5 12.0 25.3 99 102 A V H ><5S+ 0 0 34 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.930 106.9 54.0 -57.6 -47.5 -12.3 14.3 28.1 100 103 A R H 3<5S+ 0 0 204 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.1 52.0 -56.4 -38.1 -13.6 17.3 26.1 101 104 A R H 3<5S- 0 0 45 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.617 117.5-116.0 -68.5 -14.9 -17.0 15.5 26.0 102 105 A G T <<5 + 0 0 39 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.674 61.2 158.3 80.7 18.9 -16.9 15.1 29.8 103 106 A D < - 0 0 1 -5,-2.6 2,-0.4 -68,-0.2 -1,-0.2 -0.394 46.6-111.8 -73.7 154.2 -16.7 11.3 29.4 104 107 A A E -b 37 0A 30 -68,-1.8 -66,-2.7 -2,-0.1 2,-0.5 -0.734 30.2-143.1 -84.3 135.3 -15.4 9.0 32.2 105 108 A I E +b 38 0A 0 28,-3.1 30,-0.4 -2,-0.4 2,-0.4 -0.899 21.7 179.3-106.0 123.4 -12.1 7.3 31.1 106 109 A F E -b 39 0A 15 -68,-1.9 -66,-2.2 -2,-0.5 2,-0.5 -0.936 16.3-155.7-120.7 146.7 -11.5 3.7 32.2 107 110 A F E -b 40 0A 0 -2,-0.4 31,-3.1 29,-0.3 2,-0.5 -0.992 10.2-172.7-122.5 127.5 -8.5 1.5 31.6 108 111 A V E -h 138 0C 0 -68,-2.2 2,-0.3 -2,-0.5 -66,-0.3 -0.978 11.5-179.3-126.8 116.7 -9.1 -2.3 31.7 109 112 A T E -h 139 0C 1 29,-3.1 31,-2.8 -2,-0.5 -68,-0.1 -0.870 36.2-150.2-121.9 147.6 -6.1 -4.5 31.4 110 113 A G + 0 0 58 -2,-0.3 29,-0.1 29,-0.2 -1,-0.1 0.294 61.3 125.2 -90.0 5.0 -5.3 -8.2 31.4 111 114 A R S S- 0 0 6 1,-0.1 -2,-0.1 30,-0.0 -43,-0.0 -0.351 76.2 -97.3 -55.2 143.8 -2.0 -7.5 33.0 112 115 A S - 0 0 17 -44,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.384 43.9-111.5 -65.0 142.1 -1.6 -9.6 36.2 113 116 A P - 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0 0 11 -5,-2.1 -1,-0.2 -6,-0.3 5,-0.1 -0.729 26.2-124.6 -86.0 117.4 -6.3 13.2 32.3 130 133 A P >> - 0 0 55 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.167 20.8-115.0 -58.2 147.6 -8.2 15.5 34.7 131 134 A A T 34 S+ 0 0 94 1,-0.3 -2,-0.0 2,-0.2 -7,-0.0 0.833 114.4 58.8 -55.4 -32.9 -9.0 13.9 38.1 132 135 A T T 34 S+ 0 0 126 1,-0.2 -1,-0.3 -28,-0.0 -3,-0.0 0.800 113.9 36.2 -71.7 -24.2 -12.8 14.1 37.4 133 136 A N T <4 S+ 0 0 13 -3,-1.3 -28,-3.1 -29,-0.1 -1,-0.2 0.624 100.1 98.0 -96.9 -18.7 -12.5 11.9 34.2 134 137 A M < - 0 0 32 -4,-1.6 -28,-0.1 -30,-0.2 -14,-0.0 -0.465 47.1-177.3 -79.1 146.2 -9.7 9.6 35.6 135 138 A N - 0 0 41 -30,-0.4 -28,-0.2 -2,-0.2 3,-0.1 -0.993 34.9 -99.9-139.5 142.3 -10.3 6.1 37.1 136 139 A P - 0 0 95 0, 0.0 -29,-0.3 0, 0.0 0, 0.0 -0.304 53.8 -88.5 -61.0 143.9 -7.8 3.7 38.6 137 140 A V - 0 0 12 -31,-0.1 2,-0.6 1,-0.1 -29,-0.2 -0.266 38.2-137.1 -55.0 137.1 -6.8 0.9 36.2 138 141 A I E -h 108 0C 17 -31,-3.1 -29,-3.1 -3,-0.1 2,-0.8 -0.869 6.7-152.1 -98.6 121.1 -9.0 -2.2 36.3 139 142 A F E -h 109 0C 35 -2,-0.6 8,-0.3 -31,-0.2 2,-0.3 -0.843 24.2-177.9 -94.7 106.9 -7.1 -5.5 36.3 140 143 A A + 0 0 6 -31,-2.8 2,-0.3 -2,-0.8 8,-0.2 -0.735 19.0 105.6-105.3 151.2 -9.5 -8.0 34.7 141 144 A G S S- 0 0 22 6,-2.2 -30,-0.0 -2,-0.3 -31,-0.0 -0.996 70.7 -73.5 170.5-159.6 -9.1 -11.7 34.2 142 145 A D S S+ 0 0 154 -2,-0.3 3,-0.1 6,-0.1 6,-0.1 0.221 77.0 115.9-115.5 18.0 -9.9 -15.2 35.1 143 146 A K S > S- 0 0 96 1,-0.2 3,-2.3 4,-0.1 -2,-0.1 -0.453 82.7 -74.0 -79.7 156.8 -8.0 -15.7 38.4 144 147 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.248 122.0 17.1 -52.3 132.6 -10.0 -16.3 41.6 145 148 A G T 3 S+ 0 0 86 1,-0.3 2,-0.1 -3,-0.1 -3,-0.0 0.239 104.7 110.4 88.6 -10.7 -11.7 -13.1 42.8 146 149 A Q < - 0 0 40 -3,-2.3 2,-0.3 -6,-0.0 -1,-0.3 -0.474 57.3-142.1 -90.2 164.0 -11.3 -11.4 39.5 147 150 A N - 0 0 68 -8,-0.3 -6,-2.2 -2,-0.1 -4,-0.1 -0.925 26.7-105.1-122.2 155.8 -13.9 -10.5 37.0 148 151 A T > - 0 0 57 -2,-0.3 4,-2.4 -8,-0.2 5,-0.2 -0.228 29.0-107.6 -77.1 165.0 -13.5 -10.7 33.3 149 152 A K H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 122.6 52.5 -53.3 -47.8 -13.1 -7.7 30.9 150 153 A S H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 108.9 50.2 -55.2 -44.0 -16.7 -8.3 29.7 151 154 A Q H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 110.6 48.5 -65.7 -40.0 -17.9 -8.2 33.3 152 155 A W H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 6,-0.2 0.850 107.8 54.9 -69.7 -34.9 -16.1 -5.0 34.0 153 156 A L H <>S+ 0 0 1 -4,-2.3 5,-2.4 -5,-0.2 4,-0.3 0.903 112.5 43.3 -64.2 -39.5 -17.4 -3.3 30.9 154 157 A Q H ><5S+ 0 0 129 -4,-2.0 3,-1.3 3,-0.2 -2,-0.2 0.946 112.6 53.3 -66.6 -48.1 -20.9 -4.1 32.0 155 158 A D H 3<5S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.891 116.6 37.3 -53.2 -48.2 -20.2 -3.0 35.6 156 159 A K T 3<5S- 0 0 78 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.395 107.3-124.4 -88.5 4.4 -18.9 0.4 34.6 157 160 A N T < 5 - 0 0 112 -3,-1.3 -120,-0.6 -4,-0.3 2,-0.4 0.876 39.8-175.9 51.4 42.3 -21.4 0.8 31.8 158 161 A I E < -c 37 0A 5 -5,-2.4 -120,-0.2 -6,-0.2 -1,-0.2 -0.557 11.4-174.5 -72.8 119.9 -18.6 1.3 29.3 159 162 A R E + 0 0 115 -122,-2.8 19,-2.6 -2,-0.4 2,-0.4 0.689 69.0 32.5 -91.5 -24.3 -20.2 2.1 26.0 160 163 A I E -cd 38 178A 2 -123,-0.6 -121,-2.6 17,-0.2 2,-0.4 -0.997 67.1-168.6-133.5 133.6 -17.1 2.2 23.7 161 164 A F E -cd 39 179A 0 17,-2.8 19,-2.5 -2,-0.4 2,-0.5 -0.988 5.9-157.6-130.3 123.7 -14.0 0.1 24.3 162 165 A Y E +cd 40 180A 0 -123,-2.7 -121,-2.9 -2,-0.4 2,-0.3 -0.854 28.2 136.5 -98.8 133.7 -10.7 0.6 22.4 163 166 A G E - d 0 181A 0 17,-1.9 19,-2.0 -2,-0.5 -119,-0.1 -0.994 50.3-134.2-167.0 166.9 -8.1 -2.1 22.0 164 167 A D S S+ 0 0 3 -121,-0.3 20,-0.3 -2,-0.3 2,-0.2 0.653 80.0 77.7 -98.0 -20.3 -5.7 -3.8 19.7 165 168 A S S >> S- 0 0 12 1,-0.1 4,-1.3 18,-0.1 3,-0.9 -0.580 81.8-120.1 -97.1 157.7 -6.5 -7.5 20.4 166 169 A D H 3> S+ 0 0 66 1,-0.2 4,-2.8 -2,-0.2 3,-0.5 0.917 114.2 59.4 -55.2 -42.6 -9.3 -9.7 19.2 167 170 A N H 3> S+ 0 0 78 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.752 99.4 56.7 -63.4 -24.6 -10.3 -10.2 22.8 168 171 A D H <> S+ 0 0 1 -3,-0.9 4,-1.5 2,-0.2 -1,-0.3 0.899 111.2 43.1 -68.9 -42.6 -10.8 -6.5 23.3 169 172 A I H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.5 -2,-0.2 0.929 116.1 46.3 -69.9 -46.4 -13.3 -6.4 20.5 170 173 A T H X S+ 0 0 50 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.886 108.1 56.7 -64.8 -35.3 -15.2 -9.6 21.5 171 174 A A H X S+ 0 0 7 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.937 111.7 44.2 -62.2 -41.7 -15.3 -8.4 25.2 172 175 A A H ><>S+ 0 0 0 -4,-1.5 5,-3.0 1,-0.2 3,-1.0 0.937 114.0 48.3 -63.9 -48.0 -17.1 -5.3 24.0 173 176 A R H ><5S+ 0 0 114 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.910 102.4 62.9 -63.6 -41.5 -19.4 -7.1 21.6 174 177 A D H 3<5S+ 0 0 126 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.729 113.8 35.1 -54.8 -27.7 -20.4 -9.7 24.2 175 178 A V T <<5S- 0 0 34 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.308 119.7-105.8-111.9 8.2 -21.9 -6.9 26.3 176 179 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 -4,-0.4 2,-0.2 0.722 73.0 138.3 78.1 23.0 -23.2 -4.8 23.4 177 180 A A < - 0 0 16 -5,-3.0 2,-0.8 -6,-0.2 -1,-0.2 -0.487 63.0 -99.2 -89.1 169.2 -20.6 -2.1 23.7 178 181 A R E -d 160 0A 55 -19,-2.6 -17,-2.8 -2,-0.2 2,-0.5 -0.810 36.2-157.5 -94.1 108.7 -18.9 -0.5 20.6 179 182 A G E -d 161 0A 5 -2,-0.8 23,-0.5 -19,-0.2 2,-0.4 -0.799 9.3-171.1 -91.6 127.3 -15.5 -2.2 20.1 180 183 A I E -de 162 202A 0 -19,-2.5 -17,-1.9 -2,-0.5 2,-0.3 -0.985 16.3-132.2-124.8 128.4 -13.1 -0.0 18.1 181 184 A R E -de 163 203A 0 21,-3.1 23,-2.9 -2,-0.4 2,-0.4 -0.606 13.5-164.2 -90.9 135.5 -9.8 -1.4 17.0 182 185 A I - 0 0 1 -19,-2.0 2,-0.3 -2,-0.3 26,-0.1 -0.910 31.0-112.3-108.5 140.4 -6.3 0.2 17.3 183 186 A L - 0 0 41 21,-0.4 2,-0.4 -2,-0.4 -19,-0.1 -0.572 24.7-129.2 -71.9 132.7 -3.4 -1.1 15.2 184 187 A R - 0 0 20 -2,-0.3 24,-0.1 -20,-0.3 12,-0.1 -0.669 33.4-107.5 -78.6 133.6 -0.6 -2.8 17.1 185 188 A A > - 0 0 4 -2,-0.4 3,-1.6 23,-0.2 -1,-0.1 -0.290 19.5-126.5 -65.0 147.9 2.8 -1.4 16.1 186 189 A S T 3 S+ 0 0 33 1,-0.3 -1,-0.1 3,-0.1 7,-0.1 0.663 109.4 57.3 -70.9 -18.6 4.9 -3.7 13.9 187 190 A N T 3 S+ 0 0 13 232,-0.1 -1,-0.3 231,-0.1 -2,-0.1 0.309 79.4 119.1 -94.3 8.9 7.9 -3.4 16.4 188 191 A S < - 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