==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-09 2WAG . COMPND 2 MOLECULE: LYSOZYME, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR C.MARTINEZ-FLEITES,J.E.KORCZYNSKA,M.COPE,J.P.TURKENBURG, . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 7.4 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 0.9 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 . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 1 0 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 . 0 0 0 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 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 2 A G 0 0 135 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.3 18.1 30.1 27.7 2 3 A S - 0 0 92 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.920 360.0-155.0-119.2 129.8 14.4 30.2 26.9 3 4 A S - 0 0 61 -2,-0.5 0, 0.0 2,-0.2 0, 0.0 -0.687 20.2-136.6 -90.5 151.1 11.7 32.5 28.1 4 5 A H S S+ 0 0 146 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.636 83.9 92.1 -78.0 -12.2 8.0 31.5 28.2 5 6 A H - 0 0 131 1,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.489 68.4-147.2 -75.7 153.2 7.3 34.9 26.7 6 7 A H - 0 0 43 -2,-0.1 2,-0.5 179,-0.0 179,-0.1 -0.881 13.9-122.7-118.3 152.5 7.1 35.4 22.9 7 8 A H - 0 0 51 -2,-0.3 2,-0.3 160,-0.1 180,-0.1 -0.805 37.1-158.8 -88.6 130.7 8.0 38.2 20.7 8 9 A H - 0 0 122 -2,-0.5 2,-0.2 180,-0.1 3,-0.1 -0.755 17.0-107.9-110.4 157.2 4.9 39.2 18.7 9 10 A H - 0 0 44 -2,-0.3 161,-0.1 1,-0.1 2,-0.0 -0.520 46.9 -91.2 -77.1 153.2 4.4 41.1 15.5 10 11 A M > - 0 0 30 -2,-0.2 3,-1.7 1,-0.1 -1,-0.1 -0.360 36.7-119.1 -60.7 143.6 2.9 44.6 15.6 11 12 A D T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.784 106.1 69.1 -61.4 -29.1 -0.8 44.6 15.3 12 13 A R T 3 S+ 0 0 184 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.659 85.7 76.0 -65.7 -17.3 -0.9 46.6 12.0 13 14 A Y < + 0 0 35 -3,-1.7 -1,-0.1 1,-0.1 195,-0.1 -0.853 52.7 165.6-100.1 106.2 0.6 43.7 10.0 14 15 A E + 0 0 151 -2,-0.8 2,-0.8 193,-0.3 -1,-0.1 0.464 49.0 88.4 -99.6 -4.9 -2.0 41.1 9.4 15 16 A I + 0 0 6 190,-0.4 190,-2.5 192,-0.4 2,-0.3 -0.862 59.9 177.5-101.5 106.5 -0.5 39.0 6.8 16 17 A K E +A 204 0A 46 -2,-0.8 22,-3.2 20,-0.5 23,-0.7 -0.748 6.0 158.5-111.3 152.2 1.6 36.3 8.6 17 18 A G E -Ab 203 39A 0 186,-2.1 186,-2.6 -2,-0.3 2,-0.2 -0.974 26.3-115.4-164.0 175.4 3.6 33.3 7.3 18 19 A V E -Ab 202 40A 0 21,-2.2 23,-1.9 -2,-0.3 2,-0.3 -0.704 5.2-153.9-116.1 163.4 6.3 30.8 8.0 19 20 A D E +Ab 201 41A 5 182,-1.4 182,-0.9 -2,-0.2 2,-0.3 -0.983 25.8 176.3-132.6 140.7 9.7 29.9 6.8 20 21 A V E - b 0 42A 0 21,-1.9 23,-2.9 -2,-0.3 2,-0.2 -0.955 18.4-175.2-141.1 158.4 11.0 26.3 7.3 21 22 A A > - 0 0 4 -2,-0.3 3,-2.0 21,-0.2 4,-0.2 -0.756 56.9 -77.5-136.1-175.0 13.9 23.9 6.6 22 23 A S G > S+ 0 0 10 1,-0.3 3,-2.4 -2,-0.2 30,-0.0 0.799 121.6 72.9 -60.1 -25.9 14.3 20.2 7.2 23 24 A Y G 3 S+ 0 0 163 1,-0.3 -1,-0.3 2,-0.0 176,-0.1 0.667 85.5 66.0 -64.8 -18.7 15.1 21.0 10.9 24 25 A Q G < S- 0 0 31 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.448 97.6-153.0 -80.1 -3.6 11.4 21.8 11.4 25 26 A G < - 0 0 24 -3,-2.4 2,-0.6 -4,-0.2 -1,-0.2 -0.261 51.5 -0.0 73.1-153.4 10.6 18.1 10.7 26 27 A D S S- 0 0 130 -3,-0.1 2,-0.4 2,-0.0 -4,-0.0 -0.654 73.5-156.7 -78.1 113.8 7.3 16.8 9.3 27 28 A I - 0 0 12 -2,-0.6 2,-1.1 4,-0.0 3,-0.1 -0.792 15.0-146.0 -99.9 132.5 5.0 19.8 8.7 28 29 A D > - 0 0 56 -2,-0.4 4,-1.7 1,-0.2 3,-0.3 -0.811 19.5-174.4 -91.6 95.7 1.3 19.5 8.5 29 30 A W H > S+ 0 0 6 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.862 79.5 56.7 -67.0 -34.1 0.7 22.2 5.9 30 31 A R H > S+ 0 0 180 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 106.1 52.0 -64.1 -34.8 -3.1 22.0 6.2 31 32 A E H 4 S+ 0 0 30 -3,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.887 108.8 49.2 -69.4 -37.6 -2.8 22.7 9.9 32 33 A L H ><>S+ 0 0 10 -4,-1.7 5,-1.6 1,-0.2 3,-1.5 0.913 108.4 53.9 -63.9 -41.8 -0.7 25.8 9.3 33 34 A E H ><5S+ 0 0 56 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.906 102.7 58.3 -57.8 -39.7 -3.2 27.0 6.7 34 35 A K T 3<5S+ 0 0 159 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.606 98.7 60.4 -66.4 -11.3 -5.9 26.6 9.4 35 36 A Q T < 5S- 0 0 26 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.063 123.6-101.7-102.4 22.6 -3.9 29.1 11.6 36 37 A N T < 5 + 0 0 88 -3,-1.5 2,-0.6 1,-0.3 -20,-0.5 0.769 65.1 160.0 62.5 29.4 -4.2 31.8 9.1 37 38 A M < - 0 0 6 -5,-1.6 -1,-0.3 1,-0.1 -20,-0.2 -0.764 17.5-174.1 -76.5 121.5 -0.7 31.4 7.8 38 39 A K + 0 0 52 -22,-3.2 30,-2.6 -2,-0.6 2,-0.3 0.607 58.2 19.6 -95.4 -15.3 -0.9 33.1 4.4 39 40 A F E -bc 17 68A 0 -23,-0.7 -21,-2.2 28,-0.2 2,-0.3 -0.981 54.7-159.1-151.7 162.2 2.6 32.2 3.0 40 41 A A E -bc 18 69A 0 28,-1.9 30,-2.4 -2,-0.3 2,-0.5 -0.991 6.0-160.2-142.8 135.1 5.6 29.9 3.4 41 42 A F E -bc 19 70A 0 -23,-1.9 -21,-1.9 -2,-0.3 2,-0.4 -0.990 21.6-162.1-111.2 123.5 9.2 30.2 2.3 42 43 A I E -bc 20 71A 0 28,-2.4 30,-2.2 -2,-0.5 2,-0.2 -0.890 21.3-115.6-111.9 130.4 10.8 26.8 2.2 43 44 A K E + c 0 72A 6 -23,-2.9 30,-0.2 -2,-0.4 15,-0.1 -0.481 40.7 163.5 -64.1 127.7 14.5 26.1 2.2 44 45 A A E + 0 0 0 28,-2.9 8,-2.5 1,-0.3 2,-0.3 0.797 55.2 4.4-103.5 -57.0 15.5 24.5 -1.1 45 46 A T E -Dc 51 73A 0 27,-1.0 29,-2.9 6,-0.2 2,-0.3 -0.846 48.0-157.7-134.9 162.1 19.3 24.8 -1.5 46 47 A E E >> -Dc 50 74A 50 4,-1.8 4,-1.8 -2,-0.3 3,-0.8 -0.989 62.2 -28.8-142.4 137.3 22.5 25.9 0.2 47 48 A G T 34 S- 0 0 7 27,-2.1 40,-0.1 -2,-0.3 41,-0.1 -0.119 106.9 -42.8 55.0-148.2 25.8 26.8 -1.5 48 49 A S T 34 S+ 0 0 34 1,-0.1 -1,-0.2 39,-0.1 27,-0.0 0.531 134.2 14.8-101.5 2.1 26.7 25.2 -4.7 49 50 A A T <4 S+ 0 0 83 -3,-0.8 2,-0.3 38,-0.0 -2,-0.2 0.502 90.1 107.4-147.6 -6.8 25.7 21.6 -4.1 50 51 A F E < -D 46 0A 94 -4,-1.8 -4,-1.8 1,-0.0 2,-0.4 -0.597 39.5-169.1 -90.8 140.1 23.4 21.1 -1.0 51 52 A V E -D 45 0A 61 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.992 29.3-117.3-124.6 125.0 19.7 20.3 -1.2 52 53 A D > - 0 0 2 -8,-2.5 3,-1.5 -2,-0.4 4,-0.4 -0.382 24.4-131.2 -59.4 133.9 17.5 20.4 1.9 53 54 A K T 3 S+ 0 0 153 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.715 103.1 40.5 -68.6 -18.4 16.2 16.9 2.5 54 55 A Y T 3> S+ 0 0 62 1,-0.1 4,-3.0 2,-0.1 5,-0.3 0.349 84.5 100.3-109.4 8.1 12.5 18.0 2.9 55 56 A F H <> S+ 0 0 9 -3,-1.5 4,-3.1 1,-0.2 5,-0.3 0.943 83.8 46.8 -57.9 -49.9 12.4 20.6 0.1 56 57 A S H > S+ 0 0 87 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.943 116.9 43.3 -58.0 -50.5 10.7 18.4 -2.4 57 58 A K H > S+ 0 0 68 -4,-0.2 4,-2.7 1,-0.2 5,-0.3 0.909 116.0 47.6 -62.7 -46.3 8.1 17.2 0.1 58 59 A N H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.912 111.3 50.9 -64.3 -42.3 7.4 20.6 1.6 59 60 A W H X S+ 0 0 33 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.954 113.7 44.3 -60.4 -47.8 7.1 22.3 -1.8 60 61 A T H X S+ 0 0 67 -4,-2.4 4,-0.7 -5,-0.3 -2,-0.2 0.951 118.5 42.5 -61.9 -48.4 4.6 19.7 -3.0 61 62 A N H >< S+ 0 0 55 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.915 113.8 49.3 -71.9 -39.7 2.5 19.7 0.2 62 63 A A H >< S+ 0 0 0 -4,-3.0 3,-1.5 -5,-0.3 5,-0.4 0.904 107.1 56.8 -66.1 -36.1 2.5 23.4 0.8 63 64 A N H 3< S+ 0 0 52 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.673 94.7 66.6 -71.0 -15.0 1.4 24.1 -2.8 64 65 A K T << S+ 0 0 165 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.665 96.9 69.3 -74.3 -19.1 -1.6 21.8 -2.3 65 66 A T S < S- 0 0 20 -3,-1.5 -35,-0.1 -4,-0.5 -36,-0.0 -0.259 98.7-106.3 -85.5-176.6 -2.9 24.5 0.2 66 67 A S S S+ 0 0 100 -2,-0.1 -3,-0.1 2,-0.1 2,-0.1 0.346 81.8 117.3 -88.4 -0.0 -4.2 28.0 -0.6 67 68 A M S S- 0 0 11 -5,-0.4 2,-0.4 1,-0.1 -28,-0.2 -0.381 73.5-114.6 -69.5 150.0 -1.0 29.5 0.9 68 69 A R E -c 39 0A 28 -30,-2.6 -28,-1.9 -2,-0.1 2,-0.4 -0.732 41.4-159.1 -81.0 134.6 1.4 31.5 -1.3 69 70 A V E +c 40 0A 1 -2,-0.4 30,-2.3 28,-0.3 2,-0.3 -0.947 20.4 163.6-127.9 134.3 4.6 29.6 -1.5 70 71 A G E -c 41 0A 0 -30,-2.4 -28,-2.4 -2,-0.4 2,-0.3 -0.855 25.1-127.9-134.4 175.7 8.2 30.4 -2.3 71 72 A A E -c 42 0A 3 28,-0.3 31,-1.8 -2,-0.3 2,-0.3 -0.918 15.1-148.8-125.2 151.5 11.7 28.9 -1.8 72 73 A Y E -ce 43 102A 19 -30,-2.2 -28,-2.9 -2,-0.3 -27,-1.0 -0.912 4.9-146.3-121.9 153.3 14.9 30.2 -0.4 73 74 A H E -ce 45 103A 0 29,-2.4 31,-3.2 -2,-0.3 2,-0.8 -0.947 17.1-137.2-109.5 131.1 18.6 29.6 -1.0 74 75 A F E -ce 46 104A 25 -29,-2.9 -27,-2.1 -2,-0.4 31,-0.1 -0.811 31.2-128.1 -90.2 112.8 21.0 29.8 1.9 75 76 A F - 0 0 3 29,-2.6 2,-0.4 -2,-0.8 31,-0.3 -0.304 15.9-150.7 -66.4 140.1 24.0 31.7 0.6 76 77 A S > - 0 0 17 3,-0.1 3,-0.5 1,-0.1 8,-0.1 -0.915 10.8-154.7-106.5 137.3 27.6 30.5 0.9 77 78 A F T 3 S+ 0 0 31 -2,-0.4 -1,-0.1 1,-0.2 47,-0.0 0.448 90.9 61.7 -80.0 -0.9 30.5 32.8 1.1 78 79 A D T 3 S+ 0 0 115 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.290 95.8 51.1-120.3 10.4 32.7 30.1 -0.4 79 80 A S S < S- 0 0 35 -3,-0.5 -3,-0.1 -32,-0.0 -32,-0.1 -0.954 89.4 -83.1-141.0 164.7 31.4 29.4 -3.9 80 81 A K > - 0 0 114 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.297 27.7-128.2 -69.5 149.3 30.5 31.5 -6.9 81 82 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 108.7 57.9 -58.5 -38.9 27.2 33.2 -7.3 82 83 A E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 108.3 44.3 -62.4 -43.5 26.7 31.6 -10.7 83 84 A T H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 113.2 51.3 -68.4 -37.5 27.0 28.1 -9.3 84 85 A Q H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 110.9 48.3 -65.3 -42.0 24.7 28.9 -6.4 85 86 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.907 109.6 52.9 -62.5 -43.1 22.1 30.3 -8.8 86 87 A E H X S+ 0 0 66 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.884 108.4 51.7 -61.0 -34.7 22.4 27.3 -11.0 87 88 A Q H X S+ 0 0 21 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.937 110.8 44.9 -69.5 -45.1 21.8 25.1 -8.0 88 89 A F H >X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.954 113.7 52.1 -60.1 -46.7 18.6 26.9 -6.9 89 90 A I H 3< S+ 0 0 41 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 106.3 52.9 -60.7 -38.1 17.4 26.9 -10.5 90 91 A R H 3< S+ 0 0 155 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.823 118.8 36.5 -64.5 -29.7 17.9 23.1 -10.9 91 92 A N H << S+ 0 0 47 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.772 107.1 63.9 -96.4 -29.0 15.8 22.5 -7.8 92 93 A V S < S- 0 0 7 -4,-2.4 -1,-0.1 -5,-0.2 -21,-0.0 -0.871 75.5-138.1-110.0 113.9 13.1 25.1 -7.7 93 94 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.294 22.3-109.1 -69.3 154.3 10.5 25.0 -10.5 94 95 A K + 0 0 137 -5,-0.1 2,-0.3 41,-0.0 42,-0.1 -0.661 43.6 169.6 -79.3 135.4 9.2 28.1 -12.2 95 96 A Y > - 0 0 117 -2,-0.4 3,-1.9 41,-0.1 41,-0.0 -0.915 32.8-144.5-154.4 115.4 5.6 28.8 -11.3 96 97 A K T 3 S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.822 101.6 48.3 -54.6 -37.2 3.8 32.1 -12.1 97 98 A Q T 3 S+ 0 0 98 2,-0.0 -1,-0.3 120,-0.0 -28,-0.3 0.494 90.4 106.0 -84.6 -6.2 1.8 32.0 -8.9 98 99 A A S < S- 0 0 8 -3,-1.9 -28,-0.2 -30,-0.1 -30,-0.1 -0.287 78.5-103.2 -65.5 158.0 4.8 31.3 -6.6 99 100 A L - 0 0 7 -30,-2.3 -28,-0.3 -59,-0.2 -1,-0.1 -0.415 51.4 -84.8 -70.3 159.4 6.4 34.0 -4.4 100 101 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -29,-0.1 -0.239 54.5 -90.3 -61.7 157.1 9.7 35.5 -5.6 101 102 A P - 0 0 5 0, 0.0 40,-2.7 0, 0.0 2,-0.4 -0.346 39.7-145.4 -67.4 149.2 12.9 33.7 -4.9 102 103 A V E -ef 72 141A 0 -31,-1.8 -29,-2.4 38,-0.2 2,-0.5 -0.959 8.8-158.9-116.7 136.7 14.8 34.5 -1.7 103 104 A I E -ef 73 142A 0 38,-2.5 40,-2.4 -2,-0.4 2,-0.6 -0.984 15.6-149.8-111.0 124.7 18.5 34.6 -1.0 104 105 A D E -ef 74 143A 8 -31,-3.2 -29,-2.6 -2,-0.5 2,-0.6 -0.845 14.3-173.8 -98.9 114.3 19.3 34.2 2.7 105 106 A V E + f 0 144A 0 38,-3.0 40,-0.8 -2,-0.6 2,-0.3 -0.945 28.8 118.8-115.5 111.6 22.5 36.1 3.6 106 107 A E - 0 0 32 -2,-0.6 2,-0.1 -31,-0.3 -2,-0.0 -0.982 62.3 -77.4-162.4 165.7 23.7 35.6 7.2 107 108 A F + 0 0 34 -2,-0.3 2,-0.3 4,-0.0 41,-0.1 -0.423 49.7 160.5 -73.6 150.2 26.6 34.2 9.3 108 109 A Y > + 0 0 51 -2,-0.1 3,-2.3 0, 0.0 4,-0.4 -0.929 49.2 3.1-155.5 172.3 27.1 30.5 9.8 109 110 A A T 3 S- 0 0 91 -2,-0.3 3,-0.2 1,-0.3 -2,-0.0 -0.152 125.3 -35.0 44.6-125.0 29.8 28.1 10.8 110 111 A N T > S+ 0 0 125 1,-0.1 3,-1.9 2,-0.1 4,-0.5 0.243 104.4 113.8-106.7 9.6 32.9 30.1 11.7 111 112 A K G X + 0 0 46 -3,-2.3 3,-1.0 1,-0.3 -1,-0.1 0.770 68.4 61.2 -63.3 -27.2 32.5 32.8 9.1 112 113 A K G 3 S+ 0 0 107 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.726 90.5 69.2 -74.0 -17.3 31.9 35.6 11.6 113 114 A D G < S+ 0 0 117 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.774 121.8 15.3 -65.6 -26.2 35.4 35.1 13.1 114 115 A N S < S- 0 0 136 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 -0.592 92.4-148.5-146.6 77.7 36.7 36.5 9.8 115 116 A P - 0 0 49 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.182 21.3-109.7 -60.4 137.7 33.9 38.2 7.9 116 117 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -39,-0.0 -0.194 40.7 -97.0 -55.7 153.0 34.1 38.1 4.1 117 118 A K >> - 0 0 123 1,-0.1 4,-1.6 4,-0.0 3,-0.7 -0.529 25.0-125.4 -75.7 141.6 34.8 41.4 2.4 118 119 A R H 3> S+ 0 0 86 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.883 108.8 58.5 -53.3 -42.1 31.8 43.4 1.2 119 120 A E H 3> S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 105.4 49.4 -55.2 -41.5 33.3 43.5 -2.4 120 121 A D H <> S+ 0 0 76 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.858 111.6 47.8 -71.7 -33.4 33.4 39.8 -2.6 121 122 A V H X S+ 0 0 3 -4,-1.6 4,-3.0 2,-0.2 5,-0.4 0.937 109.9 53.1 -69.9 -44.8 29.8 39.4 -1.4 122 123 A T H X S+ 0 0 49 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.913 108.2 51.6 -55.9 -43.0 28.6 42.1 -3.9 123 124 A K H X S+ 0 0 109 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.954 118.9 33.1 -59.1 -51.0 30.3 40.3 -6.8 124 125 A E H X S+ 0 0 56 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.912 118.4 50.0 -79.7 -40.8 28.7 36.9 -6.1 125 126 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.891 108.6 55.0 -65.1 -36.0 25.4 37.9 -4.7 126 127 A S H X S+ 0 0 38 -4,-1.9 4,-2.4 -5,-0.4 -1,-0.2 0.895 106.6 50.3 -65.7 -38.0 24.8 40.3 -7.7 127 128 A V H X S+ 0 0 55 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.932 111.2 49.4 -61.8 -45.2 25.4 37.4 -10.1 128 129 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.932 111.1 48.7 -58.5 -48.7 22.9 35.3 -8.2 129 130 A I H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.936 111.2 50.3 -58.0 -47.7 20.3 38.1 -8.2 130 131 A E H X S+ 0 0 147 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.932 114.0 44.7 -57.6 -45.7 20.7 38.7 -11.9 131 132 A M H X S+ 0 0 45 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 116.0 45.0 -69.4 -40.4 20.3 35.0 -12.8 132 133 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 6,-0.4 0.901 112.3 51.0 -70.9 -40.4 17.3 34.4 -10.5 133 134 A E H X S+ 0 0 74 -4,-2.9 4,-1.7 -5,-0.3 5,-0.4 0.931 114.0 45.3 -62.8 -42.0 15.4 37.5 -11.5 134 135 A K H < S+ 0 0 185 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.920 116.0 45.6 -65.2 -44.7 15.9 36.6 -15.2 135 136 A H H < S+ 0 0 71 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.926 124.3 29.2 -69.1 -45.7 14.9 33.0 -14.8 136 137 A Y H < S- 0 0 22 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.636 95.8-131.8 -91.2 -16.1 11.8 33.4 -12.6 137 138 A G < + 0 0 62 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.1 0.757 69.9 110.1 72.2 25.3 10.8 36.8 -13.9 138 139 A K S S- 0 0 19 -6,-0.4 -1,-0.2 -5,-0.4 -2,-0.2 -0.988 78.0-100.3-136.6 141.1 10.3 38.2 -10.3 139 140 A K - 0 0 91 -2,-0.3 2,-0.1 1,-0.1 21,-0.1 -0.358 47.9-117.7 -58.7 130.4 12.2 40.7 -8.2 140 141 A V - 0 0 0 19,-0.3 21,-2.0 -11,-0.1 2,-0.4 -0.450 18.6-139.9 -78.0 142.5 14.5 38.8 -5.8 141 142 A I E -fg 102 161A 0 -40,-2.7 -38,-2.5 19,-0.2 2,-0.5 -0.887 8.9-153.3 -98.8 133.8 14.1 39.0 -2.0 142 143 A L E -fg 103 162A 1 19,-3.0 21,-2.9 -2,-0.4 2,-0.4 -0.952 6.2-161.1-105.7 121.6 17.1 39.2 0.2 143 144 A Y E +fg 104 163A 7 -40,-2.4 -38,-3.0 -2,-0.5 2,-0.3 -0.849 22.1 164.1 -93.3 138.9 16.8 37.9 3.8 144 145 A A E -fg 105 164A 1 19,-2.1 21,-1.9 -2,-0.4 -38,-0.2 -0.994 36.8-123.7-149.5 153.1 19.3 39.1 6.3 145 146 A T > - 0 0 10 -40,-0.8 4,-3.1 -2,-0.3 5,-0.2 -0.450 45.1-101.1 -79.4 165.9 20.1 39.3 9.9 146 147 A Q H > S+ 0 0 125 19,-0.3 4,-2.8 1,-0.2 5,-0.2 0.922 122.6 48.2 -55.0 -46.5 20.9 42.8 11.3 147 148 A E H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 114.6 44.2 -65.8 -42.6 24.6 42.2 11.3 148 149 A A H >>S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.7 0.893 113.5 52.0 -68.5 -38.4 24.7 40.8 7.8 149 150 A Y H X>S+ 0 0 1 -4,-3.1 5,-3.0 1,-0.2 4,-1.7 0.961 110.7 47.3 -59.5 -50.2 22.4 43.6 6.6 150 151 A D H <5S+ 0 0 59 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.856 119.1 40.1 -63.8 -31.7 24.7 46.3 8.1 151 152 A L H <5S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.661 135.8 7.0 -92.0 -19.4 27.9 44.7 6.6 152 153 A Y H <5S+ 0 0 2 -4,-2.0 -3,-0.2 -3,-0.3 -2,-0.2 0.625 128.0 38.9-132.4 -30.9 26.7 43.7 3.2 153 154 A I T >< + 0 0 9 -2,-0.3 3,-1.7 1,-0.1 -1,-0.1 0.840 45.7 164.8 45.0 53.2 20.7 46.1 -3.7 158 159 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.756 71.4 68.0 -66.8 -16.7 18.0 48.6 -4.6 159 160 A Q T 3 S+ 0 0 77 2,-0.0 -19,-0.3 -20,-0.0 2,-0.3 0.436 97.0 64.8 -80.6 -0.7 16.9 46.0 -7.1 160 161 A C S < S- 0 0 1 -3,-1.7 2,-0.3 -21,-0.1 -19,-0.2 -0.788 78.4-122.7-116.9 162.2 15.7 43.6 -4.3 161 162 A D E -g 141 0A 26 -21,-2.0 -19,-3.0 -2,-0.3 2,-0.4 -0.773 32.7-124.4 -97.0 153.2 13.1 43.6 -1.6 162 163 A I E -g 142 0A 1 16,-0.4 18,-3.1 -2,-0.3 19,-1.8 -0.845 19.7-170.7-107.4 132.2 14.4 43.1 2.0 163 164 A W E -gh 143 181A 3 -21,-2.9 -19,-2.1 -2,-0.4 2,-0.4 -0.980 22.9-164.2-114.9 110.8 13.3 40.5 4.5 164 165 A I E -gh 144 182A 5 17,-2.4 19,-2.7 -2,-0.5 2,-0.5 -0.823 17.0-135.5-106.1 136.7 14.8 41.5 7.9 165 166 A R E + h 0 183A 104 -21,-1.9 -19,-0.3 -2,-0.4 2,-0.2 -0.778 35.1 156.3 -83.2 127.1 15.2 39.4 11.0 166 167 A S + 0 0 13 17,-3.0 -2,-0.1 -2,-0.5 -21,-0.0 -0.636 1.8 157.0-149.2 84.7 14.2 41.3 14.1 167 168 A V S S+ 0 0 33 -2,-0.2 19,-0.1 1,-0.2 17,-0.1 0.489 76.4 36.8 -94.3 -2.2 13.2 38.9 16.9 168 169 A L S S+ 0 0 153 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.494 119.2 25.9-121.9 -12.5 13.8 41.2 19.9 169 170 A T S S- 0 0 87 -162,-0.0 -1,-0.1 3,-0.0 3,-0.1 -0.906 91.7 -75.1-143.0 168.9 12.7 44.6 18.7 170 171 A K - 0 0 140 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.355 67.2 -93.1 -60.4 151.4 10.4 46.4 16.3 171 172 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.497 56.1 150.2 -80.2 136.6 11.9 46.2 12.8 172 173 A S - 0 0 93 -2,-0.2 2,-0.4 -3,-0.1 6,-0.1 -0.905 34.5-136.7-162.5 143.8 14.1 48.9 11.3 173 174 A L > - 0 0 9 4,-0.6 3,-2.1 -2,-0.3 -27,-0.0 -0.784 21.9-129.1-102.0 139.8 16.9 49.0 8.7 174 175 A S T 3 S+ 0 0 54 -2,-0.4 -1,-0.1 1,-0.3 -28,-0.0 0.658 108.8 51.2 -68.1 -20.7 20.0 51.1 9.5 175 176 A D T 3 S- 0 0 35 2,-0.1 -1,-0.3 0, 0.0 -25,-0.0 0.228 116.9-112.8 -95.7 12.3 19.9 53.0 6.2 176 177 A E < + 0 0 178 -3,-2.1 -2,-0.1 1,-0.2 2,-0.0 0.587 64.5 153.4 66.9 13.0 16.2 53.8 6.8 177 178 A R - 0 0 68 1,-0.1 -4,-0.6 -5,-0.0 2,-0.3 -0.346 48.7-109.4 -63.1 154.0 15.1 51.6 3.9 178 179 A K - 0 0 187 -6,-0.1 -16,-0.4 1,-0.0 2,-0.2 -0.692 30.3-136.5 -84.9 136.8 11.6 50.1 4.0 179 180 A W - 0 0 29 -2,-0.3 -16,-0.2 1,-0.1 3,-0.1 -0.587 11.5-161.1 -89.6 157.6 11.3 46.4 4.6 180 181 A T S S+ 0 0 13 -18,-3.1 26,-2.1 1,-0.4 2,-0.3 0.750 79.1 20.8-106.6 -38.2 9.0 44.0 2.8 181 182 A F E -hI 163 205A 0 -19,-1.8 -17,-2.4 24,-0.2 2,-0.4 -0.966 65.3-159.1-128.7 152.8 9.0 41.0 5.2 182 183 A W E -hI 164 204A 1 22,-2.5 22,-2.4 -2,-0.3 2,-0.7 -0.988 9.8-149.8-133.6 118.8 9.9 40.9 8.9 183 184 A Q E +hI 165 203A 5 -19,-2.7 -17,-3.0 -2,-0.4 20,-0.3 -0.827 22.8 174.0 -86.0 113.6 10.9 37.7 10.7 184 185 A Y E + 0 0 3 18,-1.7 2,-0.3 -2,-0.7 19,-0.2 0.597 54.6 18.0-104.9 -11.9 9.6 38.4 14.3 185 186 A T E - I 0 202A 6 17,-1.2 17,-2.0 1,-0.1 -1,-0.2 -0.990 41.3-158.1-157.5 151.4 10.3 35.1 16.1 186 187 A N S S+ 0 0 80 -2,-0.3 14,-0.4 15,-0.2 2,-0.2 0.436 98.0 49.2 -96.6 -14.0 12.2 31.8 15.9 187 188 A R S S- 0 0 32 12,-0.2 12,-0.2 -180,-0.1 -1,-0.2 -0.582 85.4-159.5-128.0 69.9 9.8 30.0 18.2 188 189 A G - 0 0 0 12,-2.6 10,-1.2 -2,-0.2 2,-0.5 -0.096 18.8-119.8 -59.3 145.9 6.4 30.7 16.9 189 190 A K B -J 197 0B 46 8,-0.1 2,-0.3 6,-0.0 8,-0.1 -0.788 38.9-170.1 -90.2 124.6 3.4 30.3 19.1 190 191 A L - 0 0 34 6,-0.6 2,-0.1 -2,-0.5 -158,-0.0 -0.944 14.4-176.9-127.8 132.6 1.0 27.6 17.5 191 192 A S + 0 0 81 -2,-0.3 3,-0.2 4,-0.2 5,-0.2 -0.097 40.9 73.0-109.8-158.4 -2.6 26.4 18.2 192 193 A G S > S- 0 0 43 1,-0.2 3,-1.4 3,-0.1 -2,-0.0 -0.212 97.2 -34.5 72.9-167.7 -4.7 23.7 16.6 193 194 A Y T 3 S+ 0 0 141 1,-0.3 -1,-0.2 -162,-0.0 -162,-0.0 0.886 140.1 27.4 -67.4 -41.8 -4.4 19.9 17.0 194 195 A N T 3 S+ 0 0 95 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.178 94.4 158.1 -95.8 18.9 -0.7 19.1 17.4 195 196 A G < + 0 0 35 -3,-1.4 2,-0.3 -6,-0.0 -4,-0.2 -0.199 9.1 122.7 -58.1 128.0 -0.5 22.6 18.7 196 197 A K S S- 0 0 127 -5,-0.2 -6,-0.6 2,-0.0 2,-0.3 -0.939 70.1 -61.0-160.7 176.9 2.5 23.2 20.9 197 198 A E B -J 189 0B 96 -2,-0.3 2,-0.4 -8,-0.1 -8,-0.1 -0.594 63.1-176.6 -66.8 128.0 5.5 25.4 21.3 198 199 A K - 0 0 55 -10,-1.2 2,-1.5 -2,-0.3 -10,-0.1 -0.994 36.6-122.8-133.0 143.5 7.5 24.8 18.1 199 200 A Y + 0 0 129 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.723 66.4 129.6 -80.8 89.0 10.9 26.0 16.7 200 201 A I - 0 0 1 -2,-1.5 -12,-2.6 -14,-0.4 2,-0.3 -0.965 59.0-117.6-143.2 133.9 9.5 27.5 13.6 201 202 A D E -A 19 0A 36 -182,-0.9 -182,-1.4 -2,-0.3 2,-0.4 -0.565 26.3-158.4 -74.5 133.2 10.2 31.0 12.2 202 203 A L E +AI 18 185A 1 -17,-2.0 -18,-1.7 -2,-0.3 -17,-1.2 -0.892 13.5 176.9-117.0 147.5 7.2 33.4 11.9 203 204 A N E -AI 17 183A 0 -186,-2.6 -186,-2.1 -2,-0.4 2,-0.3 -0.921 18.9-143.5-141.1 156.4 7.1 36.4 9.7 204 205 A V E -AI 16 182A 0 -22,-2.4 -22,-2.5 -2,-0.3 -188,-0.2 -0.971 16.5-132.0-123.8 151.3 4.8 39.2 8.5 205 206 A F E - I 0 181A 0 -190,-2.5 -190,-0.4 -2,-0.3 -24,-0.2 -0.605 24.9-125.4 -82.6 153.2 4.5 40.9 5.1 206 207 A Y S S+ 0 0 98 -26,-2.1 -25,-0.1 -2,-0.2 -1,-0.1 0.790 81.0 45.9 -71.8 -27.0 4.5 44.7 5.3 207 208 A G S S- 0 0 12 -27,-0.3 -192,-0.4 1,-0.2 -193,-0.3 0.016 85.6 -73.4-111.1-158.8 1.2 45.3 3.5 208 209 A N > - 0 0 83 -195,-0.1 4,-2.6 -194,-0.1 -1,-0.2 -0.335 49.5 -92.2-100.1-179.8 -2.4 44.4 3.1 209 210 A E H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 123.7 48.6 -62.4 -42.2 -4.2 41.4 1.7 210 211 A E H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 112.6 48.0 -65.3 -45.4 -4.6 42.9 -1.8 211 212 A E H 4 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.903 112.3 51.7 -57.7 -42.1 -0.9 43.9 -2.0 212 213 A F H >< S+ 0 0 7 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.949 106.9 51.3 -58.6 -48.7 -0.1 40.4 -0.8 213 214 A E H 3< S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 116.6 41.1 -62.0 -33.1 -2.2 38.8 -3.5 214 215 A N T >< S+ 0 0 97 -4,-1.8 3,-2.0 -5,-0.2 -1,-0.3 0.406 84.6 131.4 -93.3 -0.0 -0.5 40.9 -6.2 215 216 A Y T < S- 0 0 21 -3,-1.6 -3,-0.1 -4,-0.5 -4,-0.0 -0.344 82.3 -0.7 -65.8 127.2 3.0 40.6 -4.7 216 217 A G T 3 0 0 28 -2,-0.1 -1,-0.3 -117,-0.1 -118,-0.1 0.511 360.0 360.0 75.0 7.0 5.7 39.6 -7.3 217 218 A M < 0 0 102 -3,-2.0 -2,-0.1 -79,-0.1 -1,-0.1 0.332 360.0 360.0 -90.1 360.0 3.0 39.5 -10.1