==== 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/HYDROLASE INHIBITOR 03-OCT-02 1O6I . COMPND 2 MOLECULE: CHITINASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR D.R.HOUSTON,I.EGGLESTON,B.SYNSTAD,V.G.H.EIJSINK,D.M.F.VAN AA . 995 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 647 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 64 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 6 2 4 1 3 0 3 0 3 0 0 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 4 8 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 PARALLEL BRIDGES PER LADDER . 7 2 4 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 4 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 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 3 A T 0 0 183 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.8 29.4 64.5 114.9 2 4 A R - 0 0 90 1,-0.1 2,-0.2 395,-0.0 419,-0.1 -0.335 360.0-115.9 -62.6 136.9 28.4 61.1 116.1 3 5 A K - 0 0 43 414,-0.1 394,-0.3 1,-0.1 2,-0.1 -0.548 30.8-113.2 -74.8 139.7 28.5 58.4 113.5 4 6 A A E -a 397 0A 2 392,-2.6 394,-2.8 -2,-0.2 2,-0.4 -0.447 24.5-165.1 -69.0 145.1 25.2 56.8 112.6 5 7 A V E -a 398 0A 0 392,-0.2 38,-2.7 -2,-0.1 39,-2.2 -0.903 13.0-175.4-133.2 100.4 24.7 53.2 113.5 6 8 A I E -ab 399 44A 0 392,-2.9 394,-2.7 -2,-0.4 2,-0.5 -0.881 2.1-175.9-107.9 110.9 21.6 51.9 111.6 7 9 A G E -ab 400 45A 0 37,-2.5 39,-2.1 -2,-0.6 2,-0.3 -0.897 21.1-130.5-111.2 130.4 20.4 48.4 112.3 8 10 A Y E - b 0 46A 0 392,-2.5 395,-2.8 -2,-0.5 2,-0.6 -0.569 12.2-162.2 -73.7 139.0 17.6 46.7 110.5 9 11 A Y E - b 0 47A 3 37,-2.7 39,-2.3 -2,-0.3 2,-0.5 -0.973 17.5-174.5-117.6 109.0 14.9 45.0 112.6 10 12 A F E + b 0 48A 42 -2,-0.6 39,-0.2 37,-0.2 394,-0.1 -0.917 10.8 171.8-109.5 133.5 13.1 42.7 110.2 11 13 A I - 0 0 5 37,-1.7 5,-0.1 -2,-0.5 -2,-0.0 -0.956 26.9-131.0-143.1 117.6 10.0 40.7 111.2 12 14 A P >> - 0 0 28 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.318 29.1-108.2 -64.6 152.1 7.9 38.6 108.7 13 15 A T H 3> S+ 0 0 29 1,-0.3 4,-2.5 2,-0.2 52,-0.3 0.849 117.5 55.6 -49.4 -43.3 4.2 39.1 108.7 14 16 A N H 3> S+ 0 0 100 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.831 107.4 50.5 -63.8 -29.9 3.5 35.6 110.3 15 17 A Q H <4 S+ 0 0 36 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.839 109.3 49.6 -76.6 -32.9 5.8 36.5 113.2 16 18 A I H >< S+ 0 0 4 -4,-1.6 3,-2.0 1,-0.2 -2,-0.2 0.962 110.0 51.8 -65.8 -50.6 4.0 39.8 113.9 17 19 A N H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.683 121.8 32.5 -58.8 -17.0 0.7 38.1 113.8 18 20 A N T 3< S+ 0 0 94 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.062 89.5 169.6-127.7 23.4 2.0 35.5 116.4 19 21 A Y < + 0 0 14 -3,-2.0 2,-0.3 7,-0.1 -3,-0.1 -0.040 3.1 153.4 -48.4 129.2 4.2 37.9 118.2 20 22 A T - 0 0 34 -5,-0.1 7,-0.1 3,-0.1 3,-0.1 -0.982 35.7-156.6-153.3 151.2 5.7 36.6 121.5 21 23 A E S S+ 0 0 61 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.289 89.4 58.8-112.1 7.0 8.9 37.4 123.5 22 24 A T S S+ 0 0 137 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.345 96.2 59.2-119.9 8.1 9.1 34.2 125.4 23 25 A D >> - 0 0 75 4,-0.2 3,-2.6 1,-0.1 4,-1.7 -0.713 51.9-172.8-142.6 90.0 9.3 31.6 122.7 24 26 A T T 34 S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.3 5,-0.0 0.625 83.7 72.3 -55.7 -12.8 12.2 31.8 120.2 25 27 A S T 34 S+ 0 0 96 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.767 110.5 28.5 -75.8 -22.1 10.6 29.0 118.2 26 28 A V T <4 S+ 0 0 52 -3,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.844 139.0 19.3 -99.2 -53.9 7.9 31.4 117.0 27 29 A V < - 0 0 1 -4,-1.7 -1,-0.3 1,-0.1 -4,-0.2 -0.894 68.1-170.7-120.7 96.1 9.7 34.8 117.1 28 30 A P S S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.852 81.6 28.6 -57.3 -34.4 13.4 34.1 117.1 29 31 A F S S- 0 0 23 -5,-0.0 375,-0.1 3,-0.0 -8,-0.1 -0.674 77.5-177.6-133.7 83.2 14.4 37.7 117.8 30 32 A P > - 0 0 7 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.276 42.6-104.4 -75.5 162.7 11.8 39.7 119.7 31 33 A V G > S+ 0 0 4 1,-0.3 3,-2.1 2,-0.2 -10,-0.1 0.796 115.6 70.6 -58.2 -29.2 12.1 43.4 120.6 32 34 A S G 3 S+ 0 0 54 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.675 84.4 69.4 -63.7 -14.9 13.0 42.5 124.2 33 35 A N G < S+ 0 0 56 -3,-2.2 2,-1.5 1,-0.2 -1,-0.3 0.640 79.7 82.8 -77.6 -12.6 16.4 41.2 122.9 34 36 A I S < S- 0 0 4 -3,-2.1 -1,-0.2 -4,-0.3 -3,-0.0 -0.722 78.5-166.1 -92.2 86.1 17.3 44.8 122.2 35 37 A T > - 0 0 55 -2,-1.5 4,-2.6 1,-0.1 3,-0.3 -0.129 35.9 -97.0 -67.4 168.4 18.3 45.6 125.7 36 38 A P H > S+ 0 0 58 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.899 125.7 54.9 -56.7 -39.4 18.9 49.1 126.9 37 39 A A H > S+ 0 0 57 1,-0.2 4,-0.7 2,-0.2 -3,-0.1 0.867 110.2 44.6 -64.4 -36.6 22.6 48.7 126.3 38 40 A K H >> S+ 0 0 30 -3,-0.3 4,-0.9 1,-0.2 3,-0.8 0.891 109.6 57.0 -71.5 -40.3 22.0 47.7 122.7 39 41 A A H >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.3 -2,-0.2 0.857 105.3 51.6 -58.2 -36.8 19.5 50.5 122.3 40 42 A K H 3< S+ 0 0 110 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.743 105.3 55.6 -70.8 -23.8 22.2 53.0 123.4 41 43 A Q H << S+ 0 0 35 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.601 99.6 73.1 -85.0 -12.6 24.6 51.7 120.8 42 44 A L << - 0 0 0 -4,-0.9 -36,-0.2 -3,-0.5 43,-0.1 -0.743 51.7-173.6 -99.6 148.8 22.2 52.3 117.9 43 45 A T S S+ 0 0 11 -38,-2.7 44,-1.8 1,-0.4 2,-0.3 0.604 79.9 18.8-106.7 -27.2 21.3 55.7 116.4 44 46 A H E -bc 6 87A 4 -39,-2.2 -37,-2.5 42,-0.2 2,-0.5 -1.000 55.8-161.6-144.2 144.4 18.6 54.2 114.1 45 47 A I E -bc 7 88A 0 42,-2.4 44,-2.6 -2,-0.3 2,-0.9 -0.997 17.0-150.4-119.9 124.8 16.5 51.0 113.9 46 48 A N E -bc 8 89A 1 -39,-2.1 -37,-2.7 -2,-0.5 2,-0.3 -0.848 10.7-149.9 -97.1 104.7 15.0 50.4 110.4 47 49 A F E -bc 9 90A 2 42,-2.7 44,-3.0 -2,-0.9 2,-0.3 -0.582 31.5-116.9 -71.9 132.4 11.8 48.5 110.9 48 50 A S E +bc 10 91A 1 -39,-2.3 -37,-1.7 -2,-0.3 44,-0.1 -0.984 56.4 6.8-140.9 148.1 11.2 46.4 107.8 49 51 A F E + 0 0 26 42,-0.5 12,-0.3 -2,-0.3 43,-0.2 0.562 45.3 149.9-126.4 148.2 9.4 45.9 105.6 50 52 A L E - c 0 92A 0 41,-2.8 43,-3.0 -3,-0.2 2,-0.2 -0.554 30.9-152.1-102.4 178.7 6.4 47.9 104.4 51 53 A D E -I 59 0B 17 8,-2.9 8,-2.6 41,-0.3 2,-0.5 -0.730 20.1-106.5-141.5 179.8 5.4 48.1 100.7 52 54 A I E -I 58 0B 3 6,-0.2 6,-0.2 -2,-0.2 55,-0.2 -0.994 43.0-149.6-114.8 124.4 3.7 50.2 98.1 53 55 A N > - 0 0 51 4,-2.3 3,-2.7 -2,-0.5 4,-0.1 -0.272 32.4 -90.4 -91.3 179.7 0.2 48.7 97.2 54 56 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.672 126.3 64.3 -64.4 -13.5 -1.9 48.7 94.0 55 57 A N T 3 S- 0 0 84 2,-0.2 -1,-0.3 56,-0.0 3,-0.1 0.387 115.9-119.6 -86.2 1.9 -3.5 51.9 95.3 56 58 A L S < S+ 0 0 38 -3,-2.7 2,-0.3 1,-0.2 -2,-0.1 0.810 73.4 118.8 62.6 37.7 0.0 53.4 95.0 57 59 A E S S- 0 0 36 -4,-0.1 -4,-2.3 67,-0.1 -1,-0.2 -0.908 73.8 -96.6-128.8 155.0 0.3 54.3 98.7 58 60 A C E +I 52 0B 4 63,-0.4 2,-0.3 -2,-0.3 -6,-0.2 -0.493 60.8 152.3 -67.2 139.0 2.7 53.2 101.4 59 61 A A E -I 51 0B 18 -8,-2.6 -8,-2.9 -2,-0.2 2,-0.1 -0.995 44.2 -99.6-166.5 159.9 1.2 50.3 103.4 60 62 A W - 0 0 31 -2,-0.3 -10,-0.1 -10,-0.2 6,-0.0 -0.307 59.7 -78.1 -76.4 166.7 1.7 47.2 105.5 61 63 A D > - 0 0 40 -12,-0.3 3,-1.8 1,-0.1 -1,-0.1 -0.442 45.1-124.6 -60.0 136.1 1.4 43.7 104.1 62 64 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 108.3 59.8 -59.0 -28.8 -2.4 43.0 103.8 63 65 A A T 3 S+ 0 0 63 2,-0.1 2,-0.2 3,-0.0 -2,-0.1 0.558 80.6 116.1 -75.9 -6.0 -2.1 39.9 105.9 64 66 A T < - 0 0 20 -3,-1.8 2,-1.1 1,-0.1 -50,-0.1 -0.444 69.4-131.6 -70.5 133.2 -0.7 41.9 108.8 65 67 A N >> - 0 0 79 -52,-0.3 4,-2.3 -2,-0.2 3,-0.8 -0.747 21.1-151.7 -80.3 103.7 -2.8 42.0 111.9 66 68 A D H 3> S+ 0 0 65 -2,-1.1 4,-2.8 1,-0.2 5,-0.2 0.787 89.0 53.0 -51.3 -36.6 -2.7 45.7 112.5 67 69 A A H 3> S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.866 111.6 45.9 -70.0 -34.7 -3.1 45.6 116.3 68 70 A K H <> S+ 0 0 77 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.898 112.6 52.3 -71.6 -38.2 -0.2 43.2 116.6 69 71 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.963 109.1 49.2 -60.9 -51.9 1.8 45.4 114.2 70 72 A R H X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.877 110.2 52.1 -56.0 -39.5 1.1 48.5 116.3 71 73 A D H X S+ 0 0 56 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.868 108.8 48.5 -67.5 -36.8 2.2 46.7 119.4 72 74 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 -3,-0.3 -2,-0.2 0.943 113.4 48.6 -67.8 -45.4 5.5 45.6 118.0 73 75 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.923 108.3 53.9 -61.3 -41.6 6.2 49.1 116.8 74 76 A N H X S+ 0 0 87 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.868 105.1 54.4 -61.8 -31.9 5.3 50.5 120.2 75 77 A R H X S+ 0 0 89 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.904 110.5 46.8 -67.4 -37.5 7.8 48.2 121.8 76 78 A L H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.3 0.942 111.8 48.4 -69.7 -47.9 10.5 49.5 119.5 77 79 A T H >< S+ 0 0 29 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.812 101.2 66.7 -65.3 -21.8 9.6 53.2 120.0 78 80 A A H >< S+ 0 0 60 -4,-1.6 3,-1.9 1,-0.3 -1,-0.3 0.774 86.0 71.8 -64.9 -26.0 9.7 52.5 123.8 79 81 A L G X< S+ 0 0 15 -3,-1.5 3,-2.2 -4,-0.6 4,-0.4 0.728 77.2 77.9 -63.4 -20.8 13.4 51.9 123.5 80 82 A K G X S+ 0 0 57 -3,-1.5 3,-0.8 -4,-0.3 -1,-0.3 0.725 76.3 74.3 -61.2 -20.8 13.8 55.6 123.0 81 83 A A G < S+ 0 0 90 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.796 99.7 46.3 -60.8 -25.4 13.4 56.0 126.7 82 84 A H G < S+ 0 0 68 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.588 122.8 28.2 -92.7 -12.1 17.0 54.6 126.9 83 85 A N X - 0 0 9 -3,-0.8 3,-1.8 -4,-0.4 -1,-0.3 -0.782 59.9-160.4-155.8 103.0 18.6 56.7 124.2 84 86 A P T 3 S+ 0 0 116 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.539 94.9 53.8 -62.0 -8.7 17.3 60.3 123.4 85 87 A S T 3 S+ 0 0 58 -43,-0.1 2,-0.1 -45,-0.0 -5,-0.1 0.534 83.2 116.4-101.4 -9.6 19.1 60.2 119.9 86 88 A L < - 0 0 1 -3,-1.8 2,-0.4 -6,-0.2 -42,-0.2 -0.339 44.0-168.2 -67.3 135.7 17.4 56.9 118.8 87 89 A R E -c 44 0A 23 -44,-1.8 -42,-2.4 -2,-0.1 2,-0.8 -0.977 15.5-150.1-122.0 135.5 15.1 56.9 115.8 88 90 A I E -c 45 0A 0 -2,-0.4 47,-3.1 -44,-0.2 48,-0.5 -0.881 26.7-176.4-103.3 104.8 12.8 54.1 114.8 89 91 A M E -cd 46 136A 0 -44,-2.6 -42,-2.7 -2,-0.8 2,-0.4 -0.447 17.3-137.3 -89.5 166.4 12.6 54.4 111.0 90 92 A F E -cd 47 137A 0 46,-1.1 48,-2.8 -44,-0.2 2,-0.4 -0.984 12.9-142.7-125.4 143.2 10.4 52.2 108.8 91 93 A S E -cd 48 138A 0 -44,-3.0 -41,-2.8 -2,-0.4 -42,-0.5 -0.915 6.2-157.1-108.3 131.8 11.6 50.8 105.5 92 94 A I E +cd 50 139A 0 46,-2.7 48,-3.5 -2,-0.4 2,-0.5 -0.904 63.7 4.3-105.4 127.6 9.4 50.5 102.4 93 95 A G E - 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0 0 41 -2,-0.3 2,-1.4 22,-0.2 3,-0.1 -0.470 42.3-125.6 -65.0 131.8 33.0 44.8 84.2 239 241 A N > - 0 0 0 1,-0.2 3,-1.8 18,-0.2 4,-0.2 -0.669 26.6-173.4 -87.5 90.8 32.7 48.5 85.4 240 242 A A G > S+ 0 0 0 -2,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.717 71.7 76.8 -56.2 -23.9 29.1 49.1 84.5 241 243 A L G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.783 79.7 69.0 -62.7 -26.4 29.4 52.8 85.4 242 244 A R G < S+ 0 0 27 -3,-1.8 505,-1.6 1,-0.3 -1,-0.3 0.661 100.5 51.0 -66.0 -12.0 31.2 53.6 82.2 243 245 A E G < S+ 0 0 8 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.338 83.3 116.4-105.4 4.0 27.9 52.9 80.5 244 246 A A S < S- 0 0 7 -3,-1.7 2,-2.4 -4,-0.1 3,-0.4 -0.333 83.7-100.3 -69.3 157.0 25.8 55.2 82.6 245 247 A N S S+ 0 0 133 -54,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.420 76.3 132.0 -81.6 70.2 24.1 58.2 80.9 246 248 A L - 0 0 27 -2,-2.4 -1,-0.2 -5,-0.1 3,-0.1 0.740 61.0-136.5 -90.5 -30.0 26.7 60.7 82.0 247 249 A G + 0 0 38 -3,-0.4 497,-0.2 1,-0.2 2,-0.1 0.664 54.0 146.7 78.1 16.7 27.4 62.5 78.8 248 250 A W - 0 0 43 1,-0.1 -1,-0.2 496,-0.1 497,-0.1 -0.422 49.8-104.4 -85.2 163.9 31.1 62.3 79.6 249 251 A S > - 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0 0 23 -2,-0.3 2,-1.3 -26,-0.2 5,-0.2 -0.784 33.9-134.2 -90.6 120.5 37.5 44.8 92.1 263 265 A L + 0 0 15 -2,-0.6 -36,-0.3 -28,-0.3 2,-0.3 -0.609 52.7 143.3 -73.9 95.6 33.9 44.9 93.5 264 266 A T > - 0 0 5 -2,-1.3 4,-1.8 -38,-0.1 -36,-0.2 -0.805 66.6-106.3-132.1 171.1 34.7 46.1 97.0 265 267 A V H > S+ 0 0 0 -38,-2.8 4,-2.5 -2,-0.3 5,-0.2 0.914 121.1 54.0 -64.7 -43.3 33.2 48.4 99.7 266 268 A D H > S+ 0 0 6 -38,-2.1 4,-3.0 -39,-0.3 5,-0.3 0.906 104.8 55.0 -59.5 -38.7 35.9 51.0 98.9 267 269 A A H > S+ 0 0 1 -39,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.955 109.2 46.4 -60.1 -49.9 34.9 50.9 95.2 268 270 A A H X S+ 0 0 1 -4,-1.8 4,-1.8 -83,-0.3 -2,-0.2 0.935 114.5 47.0 -59.8 -46.9 31.3 51.7 96.0 269 271 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.952 114.5 46.0 -61.6 -48.2 32.1 54.5 98.4 270 272 A Q H X S+ 0 0 28 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.868 107.6 57.8 -63.5 -32.0 34.7 56.1 96.1 271 273 A Q H < S+ 0 0 2 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.894 108.6 47.0 -66.6 -34.6 32.3 55.8 93.1 272 274 A H H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.920 110.6 51.0 -69.8 -40.1 29.8 57.9 95.1 273 275 A L H 3< S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.686 96.5 70.8 -72.0 -17.1 32.4 60.5 96.1 274 276 A M T 3< S+ 0 0 0 -4,-1.4 170,-3.4 -5,-0.2 171,-0.5 0.678 84.4 86.0 -71.9 -17.5 33.4 60.8 92.5 275 277 A M S X S- 0 0 18 -3,-1.4 3,-1.3 -4,-0.3 2,-0.1 -0.704 85.5-120.7 -88.8 132.5 30.1 62.6 91.8 276 278 A E T 3 S+ 0 0 109 -2,-0.4 -78,-0.2 1,-0.2 168,-0.1 -0.411 96.8 28.4 -67.3 140.9 29.9 66.3 92.4 277 279 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.2 167,-0.1 -4,-0.1 0.574 86.7 115.4 87.6 6.5 27.2 67.2 95.0 278 280 A V < - 0 0 13 -3,-1.3 2,-0.2 -5,-0.2 -1,-0.2 -0.891 56.6-149.2-112.2 102.3 27.4 64.0 97.0 279 281 A P >> - 0 0 57 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.488 12.7-136.7 -74.9 136.6 28.6 64.8 100.5 280 282 A S G >4 S+ 0 0 32 1,-0.3 3,-1.6 -2,-0.2 116,-0.8 0.882 102.1 66.0 -59.0 -35.1 30.7 62.2 102.3 281 283 A A G 34 S+ 0 0 62 1,-0.3 -1,-0.3 114,-0.2 114,-0.1 0.683 99.8 51.5 -62.9 -17.0 28.7 62.8 105.5 282 284 A K G <4 S+ 0 0 51 -3,-1.7 -75,-2.9 -76,-0.1 2,-0.5 0.565 88.8 95.9 -92.6 -10.0 25.5 61.5 103.9 283 285 A I E << -g 207 0A 0 -3,-1.6 113,-2.9 -4,-0.5 114,-0.8 -0.699 56.0-169.3 -86.4 126.3 27.2 58.2 102.7 284 286 A V E -gh 208 397A 0 -77,-2.5 -75,-2.7 -2,-0.5 2,-0.6 -0.955 17.3-133.6-117.2 130.8 26.6 55.3 105.1 285 287 A M E -gh 209 398A 0 112,-2.4 114,-2.1 -2,-0.5 2,-0.2 -0.735 18.1-145.5 -84.9 118.2 28.5 52.1 104.7 286 288 A G E - h 0 399A 0 -77,-1.2 114,-0.2 -2,-0.6 -76,-0.0 -0.562 16.9-174.0 -82.6 148.4 26.4 48.9 105.0 287 289 A V E - h 0 400A 0 112,-2.4 114,-1.3 -2,-0.2 2,-0.4 -0.962 21.8-119.9-135.9 150.0 27.8 45.8 106.5 288 290 A P E - h 0 401A 0 0, 0.0 90,-0.3 0, 0.0 114,-0.2 -0.765 8.4-161.9 -92.9 139.7 26.4 42.3 106.8 289 291 A F S S+ 0 0 1 112,-2.8 51,-2.9 -2,-0.4 52,-0.4 0.129 79.7 60.1 -98.9 22.9 25.7 40.5 110.1 290 292 A Y E S-M 339 0F 7 49,-0.3 2,-0.3 111,-0.3 49,-0.3 -0.928 74.4-131.8-142.5 163.3 25.6 37.2 108.1 291 293 A G E -M 338 0F 0 47,-3.2 47,-2.1 -2,-0.3 2,-0.5 -0.781 14.9-128.9-116.4 161.9 27.8 35.2 105.9 292 294 A R E -MN 337 376F 32 84,-2.4 84,-2.3 -2,-0.3 2,-0.4 -0.950 24.2-151.5-111.9 129.0 27.2 33.5 102.5 293 295 A A E - N 0 375F 2 43,-2.0 2,-0.3 -2,-0.5 82,-0.2 -0.817 11.0-171.7-108.8 142.1 28.1 29.9 102.1 294 296 A F E - N 0 374F 1 80,-2.6 80,-2.0 -2,-0.4 2,-0.2 -0.937 5.5-159.3-125.7 147.5 29.2 27.9 99.0 295 297 A K + 0 0 55 -2,-0.3 14,-2.4 78,-0.2 15,-0.3 -0.747 67.8 45.4-119.9 169.0 29.6 24.1 98.5 296 298 A G S S+ 0 0 39 75,-0.6 77,-0.2 76,-0.4 2,-0.2 0.763 76.2 150.0 71.8 26.1 31.6 22.2 96.0 297 299 A V - 0 0 12 75,-2.3 2,-0.2 -3,-0.2 -1,-0.2 -0.519 35.3-136.3 -91.6 159.8 34.7 24.3 96.3 298 300 A S > - 0 0 70 9,-0.4 5,-0.6 -2,-0.2 3,-0.4 -0.721 18.7-103.6-113.6 167.0 38.3 23.1 95.8 299 301 A G T 5S+ 0 0 49 -2,-0.2 -1,-0.1 1,-0.2 70,-0.0 -0.126 76.6 81.0 -83.6 178.1 41.6 23.7 97.7 300 302 A G T 5S+ 0 0 87 6,-0.0 -1,-0.2 -2,-0.0 6,-0.0 -0.012 105.0 37.5 116.1 -27.8 44.6 25.7 97.1 301 303 A N T > 5S- 0 0 69 -3,-0.4 3,-1.9 3,-0.1 -2,-0.1 -0.003 115.8 -94.8-145.9 34.9 43.2 29.0 98.5 302 304 A G T 3 5S- 0 0 13 1,-0.3 -3,-0.1 3,-0.0 3,-0.1 0.762 86.9 -52.6 58.5 26.5 41.0 28.0 101.4 303 305 A G T > S- 0 0 5 3,-0.1 3,-2.0 -30,-0.1 6,-0.1 -0.689 73.8-132.9 -87.0 92.4 26.1 23.7 105.7 324 326 A V T 3 S+ 0 0 47 -2,-1.5 27,-0.1 1,-0.3 -2,-0.1 -0.152 80.9 10.2 -50.9 127.6 27.3 21.5 108.5 325 327 A G T 3 S+ 0 0 19 1,-0.2 2,-1.5 25,-0.1 -1,-0.3 0.169 89.1 126.3 91.2 -15.4 26.5 22.7 112.0 326 328 A a <> + 0 0 6 -3,-2.0 4,-0.7 1,-0.2 3,-0.3 -0.562 26.6 170.3 -83.4 91.6 24.1 25.4 110.9 327 329 A E H >> S+ 0 0 138 -2,-1.5 4,-1.8 1,-0.2 3,-0.9 0.880 76.9 57.4 -67.0 -39.4 20.9 24.7 112.8 328 330 A E H 3> S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.818 97.8 64.3 -62.1 -27.8 19.3 28.0 111.7 329 331 A a H 34>S+ 0 0 3 -3,-0.3 5,-2.0 2,-0.2 -1,-0.2 0.829 103.3 46.6 -65.0 -30.8 19.8 26.9 108.1 330 332 A V H X<5S+ 0 0 76 -3,-0.9 3,-0.9 -4,-0.7 -1,-0.2 0.920 110.6 52.0 -75.8 -43.8 17.4 24.0 108.7 331 333 A R H 3<5S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.932 120.5 34.9 -54.4 -46.1 14.9 26.3 110.4 332 334 A D T 3<5S- 0 0 93 -4,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.355 104.7-130.3 -92.6 3.8 15.1 28.7 107.4 333 335 A K T < 5S+ 0 0 130 -3,-0.9 -17,-0.3 -4,-0.2 -3,-0.2 0.856 74.9 98.8 48.6 46.4 15.5 25.9 104.8 334 336 A D > < - 0 0 31 -5,-2.0 3,-0.5 3,-0.1 -2,-0.2 -0.848 48.0-171.0-159.9 116.2 18.5 27.5 103.0 335 337 A P T 3 S+ 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -5,-0.1 0.399 76.5 80.4 -90.2 3.9 22.2 26.5 103.7 336 338 A R T 3 S+ 0 0 7 1,-0.1 -43,-2.0 -7,-0.1 2,-0.4 0.527 91.5 48.4 -87.6 -6.7 23.5 29.5 101.7 337 339 A I E < +M 292 0F 49 -3,-0.5 2,-0.4 -45,-0.2 -45,-0.2 -0.999 60.0 175.3-135.6 133.2 23.1 32.1 104.4 338 340 A A E -M 291 0F 3 -47,-2.1 -47,-3.2 -2,-0.4 67,-0.0 -0.985 28.6-122.6-142.2 129.4 24.1 31.9 108.1 339 341 A S E > -M 290 0F 5 -2,-0.4 4,-2.8 -49,-0.3 -49,-0.3 -0.186 27.7-114.8 -62.8 154.8 23.9 34.6 110.7 340 342 A Y H > S+ 0 0 30 -51,-2.9 4,-2.8 65,-0.3 5,-0.2 0.910 118.8 60.5 -56.5 -39.1 27.1 35.6 112.5 341 343 A R H > S+ 0 0 35 64,-1.9 4,-1.5 -52,-0.4 -1,-0.2 0.933 109.4 40.3 -52.0 -50.5 25.4 34.2 115.6 342 344 A Q H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 113.1 53.8 -68.7 -42.0 25.2 30.7 114.0 343 345 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.900 106.3 53.1 -60.4 -41.2 28.7 30.9 112.4 344 346 A E H X S+ 0 0 49 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.916 111.1 46.8 -61.4 -41.3 30.3 31.7 115.8 345 347 A Q H < S+ 0 0 85 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.852 109.4 53.9 -69.5 -35.5 28.6 28.6 117.2 346 348 A M H ><>S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 5,-0.6 0.896 107.0 52.7 -64.6 -39.6 29.7 26.5 114.2 347 349 A L H ><5S+ 0 0 66 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.855 111.4 44.6 -64.8 -36.9 33.3 27.6 114.9 348 350 A Q T 3<5S+ 0 0 152 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.404 102.0 71.6 -90.1 7.9 33.3 26.6 118.5 349 351 A G T < 5S- 0 0 33 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.279 100.2-119.2-104.7 9.9 31.5 23.3 117.7 350 352 A N T < 5 + 0 0 157 -3,-0.6 -3,-0.1 -4,-0.1 -2,-0.1 0.966 60.3 146.7 51.5 63.1 34.4 21.3 116.1 351 353 A Y S > -O 363 0F 13 5,-2.5 4,-1.6 -2,-0.4 5,-1.1 -0.910 9.8-164.4-102.7 114.3 42.5 37.7 103.9 359 361 A D T 45S+ 0 0 84 -2,-0.7 76,-0.3 2,-0.2 75,-0.3 0.505 84.6 52.8 -79.4 -3.7 44.7 40.6 104.8 360 362 A K T 45S+ 0 0 87 74,-0.1 75,-0.4 73,-0.1 -131,-0.3 0.859 118.9 33.1 -91.0 -49.5 44.2 42.5 101.5 361 363 A T T 45S- 0 0 2 2,-0.2 -133,-2.5 -133,-0.1 -132,-0.4 0.689 101.8-137.9 -77.4 -17.7 40.3 42.5 101.6 362 364 A K T <5 + 0 0 3 -4,-1.6 23,-0.2 1,-0.2 -3,-0.2 0.886 62.6 116.5 57.6 43.5 40.5 42.7 105.5 363 365 A T E < -O 358 0F 1 -5,-1.1 -5,-2.5 15,-0.1 -1,-0.2 -0.975 59.9-125.1-137.9 153.1 37.8 40.2 105.9 364 366 A P E -O 357 0F 0 0, 0.0 13,-1.1 0, 0.0 2,-0.3 -0.381 24.2-176.5 -89.7 169.1 37.5 36.6 107.4 365 367 A Y E -OP 356 376F 17 -9,-1.9 -9,-3.3 11,-0.2 2,-0.4 -0.963 20.3-128.8-162.9 152.1 36.3 33.5 105.8 366 368 A L E -OP 355 375F 1 9,-2.2 9,-2.3 -2,-0.3 2,-0.4 -0.856 17.6-167.2-105.2 145.7 35.6 29.9 106.8 367 369 A Y E -OP 354 374F 31 -13,-1.8 -13,-2.3 -2,-0.4 2,-0.7 -0.999 7.8-162.6-131.6 133.5 37.0 26.9 104.8 368 370 A H E >> -OP 353 373F 1 5,-2.6 5,-1.6 -2,-0.4 4,-1.5 -0.930 6.9-174.1-117.2 99.4 35.8 23.4 105.4 369 371 A A T 45S+ 0 0 55 -2,-0.7 -1,-0.2 -17,-0.6 -70,-0.1 0.864 78.8 52.8 -64.2 -36.7 38.4 21.1 103.8 370 372 A Q T 45S+ 0 0 165 -18,-0.3 -1,-0.2 1,-0.2 -18,-0.1 0.962 122.7 24.7 -65.6 -53.1 36.5 17.9 104.3 371 373 A N T 45S- 0 0 81 -19,-0.1 -75,-0.6 2,-0.1 -1,-0.2 0.483 106.0-116.5 -92.6 -3.8 33.2 18.8 102.7 372 374 A G T <5 + 0 0 10 -4,-1.5 -75,-2.3 1,-0.2 -76,-0.4 0.952 58.7 153.2 68.6 53.3 34.5 21.5 100.4 373 375 A L E < - 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