==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-FEB-06 2FZV . COMPND 2 MOLECULE: PUTATIVE ARSENICAL RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; . AUTHOR I.I.VORONTSOV,G.MINASOV,J.S.BRUNZELLE,L.SHUVALOVA,F.R.COLLAR . 954 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.9 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 67 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 5 0 0 4 3 1 0 0 8 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 4 4 1 3 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 . 11 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 0 0 0 4 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 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 -1 A N 0 0 106 0, 0.0 90,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.5 16.0 37.7 72.3 2 0 A A - 0 0 78 3,-0.0 2,-0.1 89,-0.0 89,-0.0 0.585 360.0 -69.4-133.9 -18.1 12.6 38.4 70.8 3 1 A M S S+ 0 0 123 2,-0.1 0, 0.0 71,-0.0 0, 0.0 0.468 81.9 170.3 -86.5 148.9 12.5 35.4 71.1 4 2 A R + 0 0 19 -2,-0.1 70,-2.4 71,-0.1 2,-0.4 0.139 60.3 78.9-104.7 17.0 15.1 34.3 68.5 5 3 A L B S-A 73 0A 49 68,-0.2 2,-0.3 66,-0.1 68,-0.2 -0.991 79.8-129.4-122.0 132.2 15.2 30.7 69.6 6 4 A R - 0 0 88 66,-2.9 2,-0.4 -2,-0.4 66,-0.4 -0.626 20.6-126.7 -77.5 136.3 12.4 28.3 68.6 7 5 A H - 0 0 159 -2,-0.3 2,-0.8 64,-0.1 64,-0.0 -0.714 19.2-133.9 -79.9 133.8 10.9 26.3 71.5 8 6 A L - 0 0 13 -2,-0.4 2,-0.1 52,-0.0 -1,-0.0 -0.808 21.0-148.9 -91.9 107.4 11.0 22.6 70.8 9 7 A S S S+ 0 0 51 -2,-0.8 4,-0.1 1,-0.2 52,-0.1 -0.434 74.4 1.9 -74.0 152.3 7.5 21.1 71.6 10 8 A D S > S+ 0 0 104 1,-0.1 3,-1.7 -2,-0.1 -1,-0.2 0.869 76.9 177.0 35.9 59.3 7.2 17.5 72.8 11 9 A P T 3 S+ 0 0 42 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.779 73.9 47.8 -65.0 -27.4 11.0 17.2 72.8 12 10 A D T 3 S+ 0 0 134 52,-0.1 2,-0.8 53,-0.0 -2,-0.1 0.228 86.6 104.2 -94.6 6.1 11.0 13.6 74.2 13 11 A S < + 0 0 47 -3,-1.7 3,-0.1 -4,-0.1 48,-0.1 -0.842 32.4 153.4 -96.1 108.5 8.3 12.4 71.8 14 12 A L > + 0 0 12 -2,-0.8 3,-1.9 1,-0.1 5,-0.1 -0.426 3.7 153.2-130.9 58.7 9.9 10.2 69.1 15 13 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 177,-0.0 0.768 73.9 57.3 -65.0 -25.8 7.1 7.8 68.0 16 14 A A T 3 S+ 0 0 10 175,-0.2 2,-0.4 -3,-0.1 178,-0.2 0.512 94.7 84.1 -78.8 -7.1 8.6 7.4 64.5 17 15 A L S < S- 0 0 11 -3,-1.9 2,-0.9 176,-0.1 -3,-0.1 -0.839 72.7-144.3-100.0 132.3 11.8 6.2 66.1 18 16 A D >> - 0 0 68 -2,-0.4 3,-1.7 1,-0.1 4,-0.6 -0.846 11.3-165.3 -95.3 101.3 12.3 2.5 67.1 19 17 A K T 34 S+ 0 0 113 -2,-0.9 3,-0.3 1,-0.3 -1,-0.1 0.702 78.3 75.8 -60.9 -21.0 14.3 2.8 70.3 20 18 A S T 34 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.733 107.4 33.3 -63.6 -23.0 15.2 -1.0 70.2 21 19 A F T <4 S+ 0 0 27 -3,-1.7 2,-0.3 2,-0.0 -1,-0.2 0.466 98.8 102.6-109.0 -8.5 17.7 -0.2 67.4 22 20 A A < - 0 0 19 -4,-0.6 2,-0.7 -3,-0.3 3,-0.1 -0.585 62.5-145.0 -80.4 138.4 18.8 3.3 68.5 23 21 A I - 0 0 60 -2,-0.3 690,-0.1 1,-0.1 -3,-0.1 -0.930 9.7-158.1 -98.0 113.7 22.1 3.8 70.2 24 22 A E S S+ 0 0 122 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.746 89.5 39.6 -69.1 -25.4 21.3 6.6 72.7 25 23 A R > + 0 0 121 1,-0.1 3,-1.7 3,-0.1 -1,-0.3 -0.682 69.7 173.5-122.1 76.9 25.0 7.6 72.9 26 24 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.780 79.4 50.5 -56.6 -28.4 26.2 7.3 69.3 27 25 A A T >> S+ 0 0 0 39,-0.3 3,-3.1 -3,-0.1 4,-1.9 0.567 77.4 119.8 -87.1 -11.5 29.6 8.8 70.2 28 26 A L T <4 S+ 0 0 105 -3,-1.7 -3,-0.1 1,-0.3 181,-0.0 -0.370 84.3 19.9 -56.8 123.4 30.3 6.4 73.2 29 27 A G T 34 S+ 0 0 74 -2,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.241 121.9 64.4 95.9 -12.9 33.5 4.6 72.3 30 28 A L T <4 S- 0 0 19 -3,-3.1 -2,-0.2 1,-0.4 -3,-0.1 0.807 115.9 -27.5-103.9 -50.4 34.5 7.2 69.7 31 29 A A S < S- 0 0 18 -4,-1.9 -1,-0.4 185,-0.0 182,-0.1 -0.965 83.6 -65.0-163.6 157.3 35.1 10.4 71.7 32 30 A P - 0 0 94 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 -0.232 36.9-166.4 -52.5 133.1 33.9 12.0 75.0 33 31 A D + 0 0 35 3,-0.0 4,-0.3 4,-0.0 -5,-0.1 0.248 48.7 115.5-107.1 11.8 30.2 12.8 74.7 34 32 A A + 0 0 71 2,-0.1 3,-0.0 178,-0.1 33,-0.0 -0.987 61.5 39.3-126.4 136.8 30.1 15.1 77.8 35 33 A P S S- 0 0 96 0, 0.0 3,-0.1 0, 0.0 33,-0.0 0.704 116.5 -93.1 -66.3 168.8 29.6 17.9 78.0 36 34 A P - 0 0 38 0, 0.0 32,-0.2 0, 0.0 2,-0.2 -0.133 38.6-105.0 -54.5 139.5 26.8 17.6 75.3 37 35 A V - 0 0 4 -4,-0.3 32,-2.5 30,-0.3 2,-0.7 -0.515 38.8-130.8 -62.0 137.2 27.7 18.2 71.7 38 36 A R E -b 69 0B 88 30,-0.2 65,-3.5 -2,-0.2 66,-1.7 -0.848 26.9-173.5-103.4 111.5 26.3 21.7 70.9 39 37 A I E -bc 70 104B 0 30,-2.8 32,-1.7 -2,-0.7 2,-0.5 -0.892 12.8-159.4-112.0 123.3 24.3 21.8 67.7 40 38 A L E -bc 71 105B 0 64,-2.1 66,-2.2 -2,-0.5 2,-0.4 -0.895 14.1-160.2 -94.5 127.9 22.9 25.0 66.0 41 39 A L E -bc 72 106B 0 30,-3.2 32,-1.7 -2,-0.5 2,-0.4 -0.916 7.2-171.9-112.8 132.9 20.0 24.3 63.6 42 40 A L E - c 0 107B 0 64,-3.0 66,-2.6 -2,-0.4 2,-0.3 -0.958 3.0-162.9-123.6 140.8 18.9 26.8 60.9 43 41 A Y E - c 0 108B 4 30,-0.4 66,-0.2 -2,-0.4 10,-0.1 -0.779 17.5-132.4-121.8 167.8 15.9 26.6 58.7 44 42 A G S S+ 0 0 0 64,-1.1 76,-0.5 -2,-0.3 75,-0.3 0.060 70.6 59.0-117.0 25.1 15.0 28.3 55.4 45 43 A S - 0 0 17 74,-0.2 5,-0.1 2,-0.1 272,-0.1 -0.983 42.7-164.1-154.7 143.9 11.4 29.7 55.6 46 44 A L + 0 0 29 -2,-0.3 4,-0.1 270,-0.3 -1,-0.1 0.285 54.5 129.8-101.7 4.7 9.3 32.2 57.6 47 45 A R S S- 0 0 120 1,-0.1 3,-0.4 2,-0.1 -2,-0.1 -0.259 71.0-115.0 -57.9 146.0 6.1 30.7 56.1 48 46 A A S S+ 0 0 100 1,-0.3 2,-1.0 2,-0.0 -1,-0.1 0.924 112.2 36.5 -52.0 -54.5 3.4 29.8 58.8 49 47 A R S S+ 0 0 110 4,-0.0 2,-0.8 5,-0.0 -1,-0.3 -0.771 83.6 179.3-102.7 87.7 3.6 26.0 58.0 50 48 A S > - 0 0 3 -2,-1.0 4,-2.6 -3,-0.4 5,-0.1 -0.801 19.8-171.4 -94.5 107.8 7.3 25.6 57.3 51 49 A F H > S+ 0 0 42 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.827 90.0 57.7 -65.7 -31.8 8.3 22.0 56.5 52 50 A S H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 110.6 43.7 -62.3 -41.5 11.9 23.0 56.6 53 51 A R H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 113.5 51.1 -68.4 -42.7 11.4 24.2 60.2 54 52 A L H X S+ 0 0 11 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.883 110.2 48.7 -62.0 -39.4 9.3 21.1 61.0 55 53 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.915 110.7 51.4 -65.5 -43.5 12.1 18.8 59.7 56 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.856 107.3 53.8 -59.8 -36.7 14.7 20.7 61.7 57 55 A E H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.917 108.9 47.7 -67.5 -40.4 12.5 20.3 64.8 58 56 A E H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 111.1 52.3 -61.6 -44.0 12.4 16.5 64.2 59 57 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.927 108.6 50.7 -55.4 -45.5 16.2 16.7 63.8 60 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.898 107.7 51.5 -63.4 -40.5 16.5 18.5 67.1 61 59 A R H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.935 112.8 46.9 -60.0 -46.6 14.4 15.9 69.0 62 60 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 111.3 50.9 -59.3 -48.3 16.7 13.2 67.6 63 61 A L H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 -2,-0.2 0.903 110.5 48.4 -58.1 -44.7 19.8 15.2 68.5 64 62 A Q H ><5S+ 0 0 71 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.888 109.5 52.4 -65.6 -36.7 18.6 15.7 72.1 65 63 A F H 3<5S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.868 107.3 53.9 -63.8 -35.2 17.8 12.0 72.3 66 64 A F T 3<5S- 0 0 6 -4,-2.1 -39,-0.3 -5,-0.1 -1,-0.3 0.294 131.5 -95.7 -81.9 7.3 21.4 11.4 71.1 67 65 A G T < 5S+ 0 0 39 -3,-1.5 -30,-0.3 1,-0.3 -3,-0.2 0.511 78.2 138.0 95.8 8.6 22.7 13.6 73.9 68 66 A A < - 0 0 10 -5,-2.8 2,-0.4 -32,-0.2 -1,-0.3 -0.398 49.4-135.6 -83.2 156.9 23.1 16.9 72.2 69 67 A E E -b 38 0B 86 -32,-2.5 -30,-2.8 -2,-0.1 2,-0.3 -0.938 34.6-162.1-102.7 136.0 22.2 20.4 73.4 70 68 A T E -b 39 0B 14 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.870 23.7-168.6-126.8 156.6 20.4 22.3 70.6 71 69 A R E -b 40 0B 86 -32,-1.7 -30,-3.2 -2,-0.3 2,-0.6 -0.987 8.3-162.1-139.2 129.0 19.6 25.8 69.5 72 70 A I E -b 41 0B 4 -66,-0.4 -66,-2.9 -2,-0.4 2,-0.2 -0.963 19.7-140.0-114.8 111.6 17.1 26.5 66.7 73 71 A F B -A 5 0A 0 -32,-1.7 -30,-0.4 -2,-0.6 -68,-0.2 -0.494 4.1-149.1 -73.9 137.3 17.5 30.1 65.4 74 72 A D - 0 0 17 -70,-2.4 3,-0.4 -2,-0.2 -28,-0.1 -0.923 10.4-172.5-106.3 109.7 14.4 32.1 64.5 75 73 A P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.182 44.5 122.8 -91.0 21.9 15.3 34.5 61.7 76 74 A S T 3 S+ 0 0 55 1,-0.3 239,-0.1 15,-0.0 -72,-0.1 0.677 86.2 29.1 -57.5 -24.4 11.9 36.4 61.7 77 75 A D T 3 S+ 0 0 48 -3,-0.4 -1,-0.3 2,-0.1 14,-0.2 0.177 86.6 131.9-120.2 17.7 13.6 39.7 62.4 78 76 A L < - 0 0 1 -3,-1.9 237,-0.2 13,-0.1 2,-0.1 -0.548 49.2-140.9 -70.2 123.9 16.9 39.1 60.7 79 77 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.399 23.5 -97.2 -80.0 162.3 17.8 42.0 58.4 80 78 A L >> - 0 0 0 233,-0.3 3,-2.3 1,-0.1 4,-0.5 -0.457 59.8 -78.4 -68.4 149.6 19.5 41.6 55.0 81 79 A P T 34 S+ 0 0 16 0, 0.0 200,-0.4 0, 0.0 -1,-0.1 -0.275 118.4 7.0 -51.8 135.4 23.3 42.1 55.0 82 80 A D T 34 S+ 0 0 45 2,-0.3 4,-0.1 1,-0.1 3,-0.1 0.502 94.1 114.0 65.8 9.2 24.1 45.8 55.1 83 81 A Q T <4 S+ 0 0 49 -3,-2.3 2,-0.4 1,-0.2 -1,-0.1 0.844 83.5 41.2 -71.5 -35.9 20.5 46.7 55.6 84 82 A V S >< S- 0 0 47 -4,-0.5 3,-2.8 5,-0.0 -2,-0.3 -0.958 116.0 -93.2-108.6 132.2 21.6 48.0 59.0 85 83 A Q G > S- 0 0 156 -2,-0.4 3,-1.8 1,-0.3 -2,-0.1 -0.201 107.0 -7.4 -48.4 124.7 24.9 49.8 59.1 86 84 A S G 3 S- 0 0 87 1,-0.3 -1,-0.3 -4,-0.1 3,-0.1 0.569 115.1 -84.4 59.9 14.1 27.8 47.4 59.8 87 85 A D G < S+ 0 0 19 -3,-2.8 2,-1.9 1,-0.2 -1,-0.3 0.777 76.4 162.7 60.7 28.0 25.1 44.7 60.5 88 86 A D < + 0 0 117 -3,-1.8 -1,-0.2 4,-0.1 -3,-0.1 -0.585 24.9 125.1 -79.5 80.0 24.8 46.1 64.1 89 87 A H >> - 0 0 44 -2,-1.9 4,-2.1 -3,-0.1 3,-0.7 -0.994 69.1-123.2-138.8 140.2 21.4 44.4 64.8 90 88 A P H 3> S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.777 110.6 57.7 -57.6 -29.2 20.6 42.1 67.7 91 89 A A H 3> S+ 0 0 0 -14,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 108.8 44.8 -67.0 -39.9 19.5 39.3 65.3 92 90 A V H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.925 113.9 49.7 -67.2 -45.8 22.8 39.3 63.6 93 91 A K H X S+ 0 0 81 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.911 112.7 47.3 -58.9 -45.9 24.7 39.4 66.9 94 92 A E H X S+ 0 0 27 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.916 111.8 49.9 -64.2 -44.5 22.6 36.5 68.3 95 93 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.942 112.8 46.7 -60.6 -47.0 23.0 34.4 65.2 96 94 A R H X S+ 0 0 37 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.891 112.4 49.8 -62.4 -39.7 26.8 34.9 65.2 97 95 A A H X S+ 0 0 60 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.906 110.2 51.4 -65.1 -42.8 27.0 34.1 69.0 98 96 A L H X S+ 0 0 16 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.878 109.3 50.1 -60.7 -40.1 25.0 31.0 68.4 99 97 A S H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.919 110.5 49.7 -64.8 -43.8 27.4 29.9 65.6 100 98 A E H < S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 110.5 51.4 -58.7 -43.5 30.4 30.5 67.9 101 99 A W H < S+ 0 0 42 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.878 96.2 90.8 -61.1 -41.4 28.6 28.4 70.6 102 100 A S < - 0 0 0 -4,-2.0 -63,-0.2 -5,-0.2 3,-0.1 -0.084 50.4-171.5 -59.1 152.8 28.0 25.5 68.2 103 101 A E S S+ 0 0 35 -65,-3.5 38,-1.7 1,-0.4 2,-0.3 0.463 83.4 9.2-111.6 -19.8 30.4 22.6 67.6 104 102 A G E S-cd 39 141B 0 -66,-1.7 -64,-2.1 36,-0.2 -1,-0.4 -0.959 71.9-150.0-153.2 162.4 28.2 21.4 64.7 105 103 A Q E -cd 40 142B 0 36,-1.7 38,-2.3 -2,-0.3 2,-0.4 -0.951 9.3-150.3-137.4 158.3 25.3 22.6 62.7 106 104 A V E -cd 41 143B 0 -66,-2.2 -64,-3.0 -2,-0.3 2,-0.5 -0.999 14.2-169.7-125.3 124.6 22.2 21.5 60.7 107 105 A W E -cd 42 144B 0 36,-2.2 38,-2.4 -2,-0.4 2,-0.5 -0.980 5.1-177.9-115.9 126.9 21.0 23.6 57.8 108 106 A C E +cd 43 145B 0 -66,-2.6 -64,-1.1 -2,-0.5 38,-0.2 -0.965 6.1 173.7-128.0 118.3 17.7 22.8 56.2 109 107 A S E - d 0 146B 0 36,-2.0 38,-1.2 -2,-0.5 2,-0.1 -0.933 31.9-122.1-124.0 143.6 16.3 24.7 53.3 110 108 A P E - d 0 147B 19 0, 0.0 2,-0.7 0, 0.0 7,-0.6 -0.513 32.0-123.6 -70.1 150.3 13.3 24.3 51.0 111 109 A E E +G 116 0C 31 36,-1.8 2,-0.4 5,-0.1 38,-0.3 -0.903 43.6 169.5 -95.6 113.1 14.3 24.0 47.3 112 110 A R E > +G 115 0C 136 3,-3.1 3,-1.7 -2,-0.7 36,-0.0 -0.967 61.5 0.5-128.8 139.3 12.5 26.8 45.5 113 111 A H T 3 S- 0 0 28 -2,-0.4 -1,-0.2 1,-0.3 288,-0.1 0.865 132.1 -61.3 53.7 31.9 12.9 28.1 42.0 114 112 A G T 3 S+ 0 0 16 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.799 124.9 72.3 62.8 32.8 15.5 25.3 41.8 115 113 A Q E < S-G 112 0C 24 -3,-1.7 -3,-3.1 283,-0.0 2,-0.2 -0.882 89.6 -76.5-155.3-178.3 17.6 26.9 44.6 116 114 A I E -G 111 0C 2 -2,-0.2 -5,-0.1 -5,-0.2 30,-0.0 -0.651 57.4 -99.6 -88.3 155.1 17.8 27.7 48.3 117 115 A T > - 0 0 14 -7,-0.6 4,-2.3 -2,-0.2 5,-0.1 -0.214 20.1-117.7 -72.9 162.4 15.7 30.5 49.7 118 116 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 239,-0.1 0.788 116.7 58.1 -69.1 -28.3 16.8 34.1 50.5 119 117 A V H > S+ 0 0 4 -75,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.923 108.3 45.5 -65.0 -44.2 16.0 33.4 54.2 120 118 A M H > S+ 0 0 0 -76,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.944 116.0 46.0 -61.8 -49.1 18.4 30.5 54.2 121 119 A K H X S+ 0 0 3 -4,-2.3 4,-3.4 1,-0.2 232,-0.2 0.858 105.7 59.4 -66.4 -35.5 21.1 32.5 52.4 122 120 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.898 107.6 46.9 -59.1 -41.3 20.6 35.6 54.6 123 121 A Q H X S+ 0 0 0 -4,-1.5 4,-0.5 2,-0.2 3,-0.2 0.932 114.8 45.4 -66.4 -45.8 21.5 33.5 57.6 124 122 A I H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.924 109.5 56.1 -63.3 -42.6 24.5 32.0 55.9 125 123 A D H 3< S+ 0 0 4 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 102.1 57.2 -57.4 -35.1 25.7 35.4 54.6 126 124 A H H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.615 87.1 90.2 -74.8 -13.4 25.7 36.8 58.1 127 125 A L S << S- 0 0 0 -3,-1.6 2,-0.2 -4,-0.5 3,-0.0 -0.770 70.5-154.0 -83.6 116.2 28.2 34.1 59.2 128 126 A P - 0 0 6 0, 0.0 9,-0.2 0, 0.0 3,-0.2 -0.638 20.7-134.7 -91.3 152.0 31.7 35.4 58.7 129 127 A L S S- 0 0 57 1,-0.3 9,-0.4 -2,-0.2 8,-0.3 0.909 94.3 -2.8 -64.3 -40.8 34.9 33.3 58.1 130 128 A E + 0 0 124 5,-0.2 2,-0.3 6,-0.1 -1,-0.3 -0.967 64.9 174.1-154.1 134.7 36.7 35.5 60.6 131 129 A M B > S-H 134 0D 91 3,-2.8 3,-1.2 -2,-0.3 0, 0.0 -0.924 75.8 -17.5-147.5 121.1 35.7 38.6 62.6 132 130 A A T 3 S- 0 0 102 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.938 129.3 -49.1 47.8 55.4 37.9 40.2 65.3 133 131 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.556 115.8 118.3 66.7 10.2 40.1 37.1 65.6 134 132 A I B < -H 131 0D 88 -3,-1.2 -3,-2.8 2,-0.0 -1,-0.2 -0.919 46.5-166.8-113.5 134.4 37.0 34.8 65.9 135 133 A R + 0 0 72 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.813 9.0 179.9-119.8 85.6 36.2 32.1 63.4 136 134 A P S S+ 0 0 6 0, 0.0 -34,-0.1 0, 0.0 -7,-0.1 0.423 77.6 27.0 -76.0 3.0 32.6 31.0 64.2 137 135 A T S > S+ 0 0 0 -8,-0.3 3,-1.9 -9,-0.2 -8,-0.1 0.627 88.9 108.0-125.9 -36.4 32.2 28.3 61.5 138 136 A Q T 3 S+ 0 0 12 -9,-0.4 31,-0.2 1,-0.3 30,-0.2 -0.145 88.9 9.7 -58.3 134.9 35.6 26.9 60.7 139 137 A G T 3 S+ 0 0 2 29,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.455 99.2 120.7 79.2 -0.6 36.4 23.4 62.0 140 138 A R < - 0 0 1 -3,-1.9 30,-2.5 28,-0.1 -1,-0.3 -0.615 64.0-113.6 -90.2 156.5 32.8 22.8 63.0 141 139 A T E -de 104 170B 0 -38,-1.7 -36,-1.7 28,-0.2 2,-0.3 -0.469 28.3-161.2 -86.4 162.4 30.7 19.9 61.5 142 140 A L E -de 105 171B 0 28,-2.1 30,-2.4 -38,-0.2 2,-0.4 -0.996 12.8-166.1-146.2 137.3 27.6 20.4 59.3 143 141 A A E -d 106 0B 0 -38,-2.3 -36,-2.2 -2,-0.3 2,-0.3 -0.987 19.3-148.5-118.4 136.6 24.7 18.2 58.2 144 142 A V E +d 107 0B 0 30,-0.4 32,-1.6 -2,-0.4 2,-0.3 -0.836 18.1 173.9-111.1 143.2 22.6 19.4 55.3 145 143 A M E -df 108 176B 0 -38,-2.4 -36,-2.0 -2,-0.3 2,-0.3 -0.971 6.1-174.4-141.2 154.0 18.8 18.9 54.7 146 144 A Q E -df 109 177B 0 30,-1.8 32,-2.5 -2,-0.3 2,-0.3 -0.977 9.9-153.2-145.5 161.9 16.2 19.9 52.2 147 145 A V E -df 110 178B 8 -38,-1.2 -36,-1.8 -2,-0.3 2,-0.3 -0.969 13.9-175.9-132.5 149.5 12.4 19.7 51.7 148 146 A S - 0 0 24 30,-2.2 33,-2.7 -2,-0.3 34,-0.2 -0.987 31.2-143.3-146.0 153.3 10.4 19.8 48.5 149 147 A G S S+ 0 0 52 -2,-0.3 3,-0.1 -38,-0.3 34,-0.1 0.671 91.5 43.5 -86.4 -21.9 6.8 19.7 47.4 150 148 A G S S- 0 0 30 1,-0.3 30,-2.8 30,-0.1 31,-0.2 -0.066 109.6 -36.9-102.9-155.2 7.7 17.6 44.3 151 149 A S S S- 0 0 53 28,-0.2 -1,-0.3 1,-0.2 2,-0.1 -0.196 81.1 -71.8 -68.4 161.7 9.9 14.6 43.7 152 150 A Q + 0 0 67 27,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.313 62.6 160.4 -61.1 127.1 13.2 14.1 45.4 153 151 A S - 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