==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-APR-12 4EML . COMPND 2 MOLECULE: NAPHTHOATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR H.G.SONG . 1555 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1185 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 190 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 5.8 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 80 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 564 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.3 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 6 0 0 12 6 0 13 5 0 12 0 0 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 12 8 4 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 PARALLEL BRIDGES PER LADDER . 0 8 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 0 0 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 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 M 0 0 99 0, 0.0 2,-2.1 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 139.0 66.5 29.4 58.7 2 2 A D - 0 0 126 2,-0.0 16,-0.2 0, 0.0 2,-0.1 -0.470 360.0-173.0 -78.3 70.0 68.5 32.0 56.8 3 3 A W - 0 0 44 -2,-2.1 2,-0.4 14,-0.1 14,-0.2 -0.382 8.9-164.2 -67.5 139.9 65.6 33.2 54.7 4 4 A H E -A 16 0A 132 12,-2.4 12,-2.5 -2,-0.1 2,-0.3 -0.986 26.8-113.4-121.7 136.4 66.3 35.7 51.9 5 5 A I E -A 15 0A 90 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.524 28.3-173.1 -67.5 125.6 63.6 37.8 50.2 6 6 A A E - 0 0 42 8,-2.5 2,-0.3 -2,-0.3 9,-0.2 0.817 64.8 -6.3 -89.8 -35.2 63.2 36.6 46.6 7 7 A K E -A 14 0A 84 7,-1.0 7,-0.5 2,-0.0 2,-0.4 -0.986 65.3-118.1-161.1 151.4 60.8 39.3 45.4 8 8 A H E +A 13 0A 158 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.809 34.4 164.8 -99.7 133.2 58.6 42.1 46.7 9 9 A Y - 0 0 35 3,-0.6 5,-0.1 -2,-0.4 29,-0.0 -0.842 39.1-125.7-133.6 170.7 54.8 42.1 46.4 10 10 A D S S+ 0 0 120 -2,-0.3 -1,-0.1 27,-0.1 28,-0.1 0.860 104.6 26.9 -86.3 -38.0 52.1 44.2 48.0 11 11 A D S S+ 0 0 6 26,-0.1 15,-2.6 16,-0.0 2,-0.3 0.524 121.2 38.4-106.5 -12.1 49.9 41.4 49.5 12 12 A I E - B 0 25A 2 13,-0.2 -3,-0.6 14,-0.1 2,-0.3 -0.849 64.4-132.9-134.6 169.9 52.3 38.6 50.1 13 13 A L E -AB 8 24A 55 11,-2.4 11,-2.9 -2,-0.3 2,-0.4 -0.941 18.7-164.2-122.1 148.9 55.9 37.8 51.2 14 14 A Y E +AB 7 23A 1 -7,-0.5 -8,-2.5 -2,-0.3 -7,-1.0 -0.949 12.4 171.0-143.8 116.1 58.2 35.5 49.3 15 15 A Y E -AB 5 22A 50 7,-2.8 7,-2.9 -2,-0.4 2,-0.3 -0.846 13.6-161.3-124.0 156.7 61.4 34.0 50.6 16 16 A K E +AB 4 21A 34 -12,-2.5 -12,-2.4 -2,-0.3 2,-0.3 -0.987 11.1 171.1-134.8 149.3 64.0 31.4 49.6 17 17 A A E > - B 0 20A 8 3,-2.6 3,-2.3 -2,-0.3 -14,-0.1 -0.824 66.7 -47.8-155.3 118.1 66.6 29.4 51.5 18 18 A G T 3 S- 0 0 70 -2,-0.3 -1,-0.1 1,-0.3 36,-0.0 -0.376 125.0 -17.0 54.2-125.7 68.5 26.6 49.9 19 19 A G T 3 S+ 0 0 15 36,-0.1 37,-2.7 -2,-0.1 38,-1.7 0.240 120.5 92.2 -94.1 14.3 66.0 24.4 48.2 20 20 A I E < -Bc 17 57A 4 -3,-2.3 -3,-2.6 35,-0.2 2,-0.4 -0.917 52.2-167.3-112.9 132.8 63.0 25.8 50.1 21 21 A A E -Bc 16 58A 0 36,-2.6 38,-3.0 -2,-0.4 2,-0.5 -0.893 8.0-156.7-107.2 148.2 60.7 28.6 49.0 22 22 A K E -Bc 15 59A 26 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.5 -0.982 5.5-169.4-127.5 120.3 58.3 30.2 51.5 23 23 A I E -Bc 14 60A 0 36,-2.8 38,-2.5 -2,-0.5 2,-0.5 -0.945 8.7-169.1-110.2 124.4 55.2 32.1 50.3 24 24 A V E -Bc 13 61A 10 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.4 -0.954 20.3-137.9-121.3 116.1 53.4 34.0 53.0 25 25 A I E -Bc 12 62A 0 36,-3.0 38,-3.3 -2,-0.5 2,-0.3 -0.615 24.3-167.1 -68.2 125.4 50.0 35.6 52.6 26 26 A N + 0 0 56 -15,-2.6 -1,-0.1 -2,-0.4 3,-0.1 -0.495 51.8 100.2-125.1 60.9 50.4 39.0 54.2 27 27 A R > > + 0 0 17 -2,-0.3 5,-2.6 36,-0.1 3,-2.4 -0.397 32.5 153.4-130.1 56.1 47.0 40.6 54.8 28 28 A P G > 5 + 0 0 32 0, 0.0 3,-1.1 0, 0.0 38,-0.1 0.684 68.3 65.9 -67.0 -14.9 46.5 39.8 58.5 29 29 A H G 3 5S+ 0 0 117 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.624 108.5 41.3 -75.9 -13.3 44.2 42.9 58.9 30 30 A K G X 5S- 0 0 68 -3,-2.4 3,-1.7 3,-0.1 -1,-0.3 -0.022 125.1-102.7-117.2 25.1 41.8 41.1 56.5 31 31 A R T < 5S- 0 0 90 -3,-1.1 44,-0.8 1,-0.3 -2,-0.1 0.818 72.3 -68.1 55.2 31.4 42.4 37.7 58.2 32 32 A N T 3 > - 0 0 94 -2,-0.4 4,-1.8 42,-0.2 3,-0.5 -0.638 49.5 -86.9-103.9 173.3 41.6 40.0 46.7 36 36 A P H 3> S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.889 129.8 51.7 -50.3 -44.1 42.3 39.7 43.0 37 37 A Q H 3> S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.865 106.0 55.5 -59.8 -37.8 45.8 41.2 43.3 38 38 A T H <> S+ 0 0 0 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.920 108.4 47.7 -60.0 -44.6 46.7 38.7 46.0 39 39 A V H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.884 110.4 51.9 -64.3 -40.7 45.8 35.9 43.7 40 40 A F H X S+ 0 0 82 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.903 112.9 45.7 -59.9 -44.1 47.9 37.5 40.9 41 41 A E H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.883 110.9 51.0 -71.1 -41.0 50.9 37.7 43.3 42 42 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.928 111.3 49.6 -57.8 -47.0 50.5 34.2 44.6 43 43 A Y H X S+ 0 0 45 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.924 111.3 49.1 -59.5 -45.7 50.4 32.9 41.1 44 44 A D H X S+ 0 0 64 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.907 111.9 48.5 -61.6 -42.6 53.5 34.9 40.2 45 45 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 111.8 48.1 -65.2 -45.2 55.4 33.6 43.3 46 46 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.854 110.8 52.6 -65.1 -34.9 54.5 30.0 42.6 47 47 A C H X S+ 0 0 26 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.921 109.0 49.7 -63.0 -45.3 55.6 30.4 38.9 48 48 A N H X S+ 0 0 43 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.941 111.6 48.4 -57.6 -48.2 58.9 31.8 40.1 49 49 A A H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 6,-0.2 0.893 110.6 51.4 -59.5 -41.7 59.4 28.8 42.5 50 50 A R H < S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 111.3 48.4 -62.0 -39.0 58.5 26.4 39.6 51 51 A E H < S+ 0 0 120 -4,-2.3 2,-0.8 -5,-0.1 -1,-0.2 0.684 90.2 92.2 -76.4 -18.4 61.1 28.0 37.4 52 52 A D >< - 0 0 16 -4,-1.2 3,-1.5 -3,-0.4 1251,-0.1 -0.697 62.0-158.5 -86.1 108.9 63.9 28.0 39.9 53 53 A N T 3 S+ 0 0 74 -2,-0.8 1250,-2.6 1,-0.3 -1,-0.2 0.677 90.6 59.4 -58.1 -20.3 65.9 24.7 39.5 54 54 A R T 3 S+ 0 0 173 1248,-0.2 2,-0.5 -36,-0.0 -1,-0.3 0.753 89.0 84.5 -81.1 -25.1 67.2 25.1 43.1 55 55 A I < + 0 0 2 -3,-1.5 -35,-0.2 -6,-0.2 -36,-0.1 -0.671 38.1 157.9 -88.6 125.8 63.8 25.0 44.7 56 56 A G + 0 0 0 -37,-2.7 42,-1.8 -2,-0.5 2,-0.4 0.613 65.9 39.2-114.4 -20.6 62.2 21.6 45.4 57 57 A V E -cd 20 98A 0 -38,-1.7 -36,-2.6 40,-0.2 2,-0.5 -0.997 59.6-160.0-137.3 134.2 59.6 22.5 48.1 58 58 A V E -cd 21 99A 0 40,-2.6 42,-2.9 -2,-0.4 2,-0.5 -0.970 8.3-154.8-113.3 125.0 57.3 25.5 48.7 59 59 A L E -cd 22 100A 0 -38,-3.0 -36,-2.8 -2,-0.5 2,-0.5 -0.882 12.6-161.7 -94.3 125.7 55.9 26.2 52.2 60 60 A L E +cd 23 101A 1 40,-2.8 42,-3.2 -2,-0.5 2,-0.3 -0.934 25.0 141.2-110.6 129.2 52.7 28.1 52.0 61 61 A T E -c 24 0A 21 -38,-2.5 -36,-3.0 -2,-0.5 2,-0.4 -0.903 43.3-110.9-152.9 177.7 51.4 30.0 55.0 62 62 A G E -c 25 0A 9 40,-0.5 -36,-0.2 -2,-0.3 42,-0.1 -0.961 35.5-109.6-120.4 140.8 49.7 33.1 56.3 63 63 A A - 0 0 22 -38,-3.3 9,-0.4 -2,-0.4 -36,-0.1 -0.376 55.4-106.5 -64.4 141.1 51.3 35.9 58.4 64 64 A G + 0 0 42 1,-0.2 7,-0.1 7,-0.1 2,-0.1 -0.980 53.2 0.9-170.5 171.5 50.2 36.1 62.0 65 65 A P - 0 0 60 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 0.569 58.0-139.8 -88.7 168.0 49.0 36.7 64.4 66 66 A H > - 0 0 51 4,-2.5 3,-1.7 -2,-0.1 -37,-0.1 -0.139 39.7 -89.5 -66.3 175.3 46.9 39.8 64.0 67 67 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 2,-0.1 -38,-0.0 0.799 128.1 58.0 -59.0 -32.7 46.8 42.5 66.6 68 68 A D T 3 S- 0 0 75 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.438 120.0-109.9 -82.5 2.3 43.9 40.8 68.5 69 69 A G S < S+ 0 0 45 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.409 76.6 130.6 89.2 -1.1 46.1 37.7 68.8 70 70 A K - 0 0 116 -5,-0.1 -4,-2.5 35,-0.0 2,-0.3 -0.691 47.6-140.6 -90.1 137.1 44.1 35.6 66.4 71 71 A Y - 0 0 68 -2,-0.3 35,-1.9 -6,-0.2 2,-0.4 -0.716 15.6-171.9 -97.3 147.9 45.9 33.7 63.6 72 72 A A E -h 106 0C 6 -9,-0.4 33,-0.2 -2,-0.3 35,-0.2 -0.998 20.2-177.0-138.2 134.3 44.8 33.2 60.0 73 73 A F E S- 0 0 0 33,-2.7 2,-0.2 -2,-0.4 34,-0.2 0.896 83.5 -36.0 -83.9 -57.5 46.2 31.0 57.2 74 74 A C E -h 107 0C 0 32,-2.0 34,-2.3 -12,-0.1 -41,-0.2 -0.810 46.8-161.4-168.8 126.1 43.7 32.3 54.6 75 75 A S - 0 0 35 -44,-0.8 35,-0.3 1,-0.3 -42,-0.2 0.251 49.4-114.1 -98.7 13.6 40.0 33.2 55.2 76 76 A G + 0 0 2 -44,-0.4 -42,-2.2 33,-0.2 -1,-0.3 -0.530 69.8 7.6 93.2-159.5 39.1 33.0 51.5 77 77 A G B S-g 34 0B 43 -44,-0.2 2,-0.6 -2,-0.2 -42,-0.2 -0.343 72.9-118.8 -65.5 135.2 38.0 35.7 49.1 78 78 A D - 0 0 31 -44,-3.6 -1,-0.1 1,-0.1 -2,-0.0 -0.635 18.9-159.6 -74.8 117.9 38.2 39.3 50.3 79 79 A Q 0 0 91 -2,-0.6 -1,-0.1 1,-0.1 -44,-0.1 0.389 360.0 360.0 -83.2 5.6 34.6 40.7 50.2 80 80 A S 0 0 104 1472,-0.0 -1,-0.1 1471,-0.0 -2,-0.1 -0.378 360.0 360.0 -64.1 360.0 35.8 44.3 50.2 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 95 A R 0 0 136 0, 0.0 2,-0.4 0, 0.0 1276,-0.0 0.000 360.0 360.0 360.0 169.5 43.1 37.3 33.8 83 96 A L + 0 0 37 961,-0.1 2,-0.2 -47,-0.0 -43,-0.1 -0.977 360.0 170.7-131.2 133.6 43.5 35.1 36.9 84 97 A N >> - 0 0 65 -2,-0.4 4,-1.5 -45,-0.1 3,-1.1 -0.735 55.1 -86.5-123.2 178.8 41.2 33.7 39.6 85 98 A V H 3> S+ 0 0 32 1,-0.3 4,-3.2 -2,-0.2 5,-0.2 0.719 122.1 67.2 -64.0 -19.9 41.9 31.2 42.3 86 99 A L H 3> S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.899 102.2 47.2 -64.4 -40.2 41.0 28.3 40.0 87 100 A D H <> S+ 0 0 28 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.902 113.7 48.8 -62.7 -42.0 44.1 29.1 37.9 88 101 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.899 107.6 54.2 -65.4 -41.3 46.0 29.3 41.2 89 102 A Q H X S+ 0 0 5 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.929 109.9 48.2 -57.1 -45.4 44.6 25.9 42.4 90 103 A R H X S+ 0 0 51 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.885 109.4 51.4 -65.0 -40.1 45.8 24.3 39.1 91 104 A L H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.948 112.6 45.4 -63.8 -47.3 49.3 25.7 39.3 92 105 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 5,-0.2 0.931 115.7 47.9 -59.4 -45.7 49.7 24.5 42.9 93 106 A R H < S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.852 121.3 33.1 -63.2 -37.5 48.3 21.1 42.0 94 107 A S H < S+ 0 0 27 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.681 84.0 109.6-100.2 -21.7 50.4 20.5 38.9 95 108 A M S < S- 0 0 3 -4,-2.3 2,-1.4 -5,-0.2 4,-0.1 -0.315 74.9-121.3 -63.5 139.3 53.7 22.2 39.4 96 109 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.120 85.0 86.8 -81.4 42.8 56.5 19.5 39.8 97 110 A K S S- 0 0 0 -2,-1.4 2,-0.4 -5,-0.2 -40,-0.2 -0.964 85.9-105.5-132.6 150.8 57.5 20.7 43.3 98 111 A V E -d 57 0A 0 -42,-1.8 -40,-2.6 -2,-0.3 2,-0.5 -0.620 32.0-157.9 -78.4 128.6 56.0 19.6 46.6 99 112 A V E -d 58 0A 0 -2,-0.4 21,-1.8 -42,-0.2 20,-0.6 -0.942 6.1-167.2-109.8 123.4 53.8 22.3 48.2 100 113 A I E -de 59 120A 0 -42,-2.9 -40,-2.8 -2,-0.5 2,-0.5 -0.938 12.3-145.1-112.4 118.7 53.2 22.1 51.9 101 114 A A E -de 60 121A 0 19,-2.9 21,-3.1 -2,-0.6 2,-0.7 -0.686 8.1-160.7 -76.3 124.9 50.5 24.2 53.6 102 115 A L E - e 0 122A 3 -42,-3.2 2,-0.7 -2,-0.5 -40,-0.5 -0.913 16.0-161.1-107.1 103.4 51.6 25.3 57.1 103 116 A V E + e 0 123A 0 19,-2.7 21,-3.0 -2,-0.7 2,-0.5 -0.785 19.7 171.0-100.6 109.4 48.3 26.2 58.7 104 117 A A - 0 0 8 -2,-0.7 23,-0.1 19,-0.2 -42,-0.1 -0.970 65.0 -27.6-108.4 130.0 48.2 28.5 61.8 105 118 A G S S+ 0 0 3 -2,-0.5 23,-2.1 -33,-0.2 -33,-0.3 -0.334 117.1 20.4 65.1-146.3 44.7 29.5 62.8 106 119 A Y E +hi 72 128C 75 -35,-1.9 -33,-2.7 21,-0.2 -32,-2.0 -0.368 43.5 172.6 -71.4 120.7 41.9 29.8 60.2 107 120 A A E +hi 74 129C 0 21,-3.1 23,-1.3 -2,-0.3 2,-0.3 -0.896 35.7 161.2-114.3 96.0 42.0 28.1 56.9 108 121 A I E > - i 0 130C 16 -34,-2.3 3,-2.2 -2,-0.5 23,-0.2 -0.880 41.5 -24.7-128.3 143.0 38.5 29.0 55.9 109 122 A G T >> S+ 0 0 4 21,-1.8 4,-1.5 -2,-0.3 3,-0.9 -0.336 134.7 2.7 64.6-128.1 36.4 29.1 52.7 110 123 A G H 3> S+ 0 0 26 1,-0.3 4,-1.7 -35,-0.3 -1,-0.3 0.796 134.4 60.6 -59.8 -27.6 38.6 29.6 49.6 111 124 A G H <> S+ 0 0 0 -3,-2.2 4,-1.4 2,-0.2 -2,-0.3 0.772 99.6 54.4 -71.3 -27.7 41.5 29.4 52.1 112 125 A H H <> S+ 0 0 0 -3,-0.9 4,-2.2 18,-0.2 -2,-0.2 0.919 106.9 50.0 -69.2 -43.4 40.4 25.9 53.0 113 126 A V H X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.887 106.0 57.8 -63.5 -37.4 40.5 24.8 49.4 114 127 A L H X S+ 0 0 3 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.912 107.1 47.0 -55.2 -46.5 44.0 26.3 49.0 115 128 A H H >< S+ 0 0 0 -4,-1.4 3,-0.7 1,-0.2 -14,-0.3 0.934 110.4 54.9 -62.3 -42.4 45.2 24.1 51.9 116 129 A L H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 105.5 49.7 -59.0 -43.2 43.5 21.0 50.3 117 130 A V H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 3,-0.0 -2,-0.2 0.658 89.0 96.1 -78.3 -14.4 45.2 21.4 46.9 118 131 A C S << S- 0 0 0 -4,-1.0 -18,-0.1 -3,-0.7 -25,-0.1 -0.488 88.3-118.9 -63.9 147.3 48.7 21.7 48.4 119 132 A D S S+ 0 0 0 -20,-0.6 2,-0.3 -27,-0.2 561,-0.2 0.907 90.9 12.8 -54.2 -46.2 50.3 18.2 48.4 120 133 A L E -e 100 0A 0 -21,-1.8 -19,-2.9 560,-0.1 2,-0.4 -0.906 64.8-150.0-133.8 155.6 50.6 18.1 52.2 121 134 A T E -e 101 0A 0 -2,-0.3 58,-2.8 -21,-0.2 59,-0.9 -0.984 5.6-171.7-132.8 124.2 49.3 20.1 55.2 122 135 A I E -ef 102 180A 0 -21,-3.1 -19,-2.7 -2,-0.4 2,-0.4 -0.967 18.8-158.7-108.2 126.5 51.0 20.6 58.5 123 136 A A E -ef 103 181A 0 57,-2.5 59,-2.3 -2,-0.5 -19,-0.2 -0.831 12.4-133.1-107.3 143.3 48.7 22.2 61.1 124 137 A A E > - f 0 182A 0 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H 345S+ 0 0 0 0, 0.0 850,-2.4 0, 0.0 -1,-0.3 0.702 118.6 47.7 -57.4 -18.1 26.6 27.9 51.3 135 148 A K H <45S+ 0 0 111 -3,-1.6 -2,-0.2 848,-0.2 1424,-0.1 0.839 122.5 29.5 -88.8 -40.3 26.6 30.3 54.3 136 149 A V H <5S- 0 0 46 -4,-2.3 -3,-0.2 -3,-0.1 1415,-0.1 0.618 122.6 -90.4 -99.4 -15.8 28.1 33.4 52.5 137 150 A G T <5S+ 0 0 8 -4,-3.5 2,-0.3 1,-0.4 -4,-0.1 0.837 89.1 80.5 106.9 54.3 26.8 32.7 49.0 138 151 A S < - 0 0 26 -5,-1.9 -1,-0.4 -6,-0.1 2,-0.3 -0.946 47.2-160.1-161.8 176.8 29.3 30.7 47.0 139 152 A F - 0 0 7 -2,-0.3 2,-0.6 -6,-0.1 1399,-0.1 -0.936 16.6-144.3-163.6 152.9 30.5 27.2 46.4 140 153 A D + 0 0 23 -2,-0.3 1392,-0.1 1,-0.1 1388,-0.1 -0.893 23.3 168.3-118.5 98.8 33.5 25.3 45.1 141 154 A G + 0 0 1 -2,-0.6 5,-0.2 1390,-0.2 1390,-0.2 0.209 63.2 69.6 -94.1 14.5 32.2 22.2 43.3 142 155 A G S >>>S- 0 0 1 1386,-0.1 4,-1.6 1389,-0.1 3,-1.4 0.499 122.5 -20.8 -96.4-120.9 35.6 21.6 41.7 143 156 A F T 34>S+ 0 0 2 1,-0.2 5,-0.9 3,-0.2 -2,-0.1 0.760 131.2 71.1 -62.2 -23.8 38.7 20.4 43.7 144 157 A G T 345S+ 0 0 0 3,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.767 115.5 19.3 -63.3 -25.0 36.9 21.8 46.8 145 158 A S T <>5S+ 0 0 0 -3,-1.4 4,-2.3 3,-0.1 -2,-0.2 0.805 129.9 37.5-107.4 -67.5 34.4 19.0 46.6 146 159 A S H X5S+ 0 0 0 -4,-1.6 4,-1.3 -5,-0.2 -3,-0.2 0.926 121.6 44.3 -56.4 -51.0 35.7 16.0 44.6 147 160 A Y H 4> S+ 0 0 1 778,-1.9 4,-1.8 775,-0.2 5,-0.2 0.853 124.2 53.0 -66.7 -37.4 32.4 11.1 50.8 155 168 A K H > S+ 0 0 0 803,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.963 114.2 39.0 -63.8 -53.3 30.5 11.2 54.1 156 169 A K H > S+ 0 0 31 -4,-0.5 4,-2.5 802,-0.4 -1,-0.2 0.847 112.9 57.5 -67.2 -34.3 32.8 13.7 55.9 157 170 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.902 108.0 45.8 -64.8 -41.7 33.3 15.8 52.7 158 171 A R H X S+ 0 0 3 -4,-1.8 4,-3.1 743,-0.2 5,-0.3 0.910 111.5 53.2 -66.7 -40.5 29.5 16.4 52.4 159 172 A E H X>S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 5,-0.5 0.929 106.3 53.2 -58.0 -47.5 29.3 17.2 56.1 160 173 A I H X5S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -29,-0.5 0.909 117.9 35.9 -54.2 -46.4 32.0 19.8 55.7 161 174 A W H <5S+ 0 0 5 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.873 116.3 49.4 -79.1 -39.9 30.2 21.6 52.9 162 175 A Y H <5S+ 0 0 0 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.851 123.9 28.2 -73.2 -34.2 26.5 21.3 53.9 163 176 A L H <5S- 0 0 3 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.695 86.3-148.3-101.5 -23.4 26.9 22.5 57.4 164 177 A C << + 0 0 13 -4,-1.0 -3,-0.1 -5,-0.5 -4,-0.1 0.893 38.3 160.5 55.3 42.7 29.9 24.8 57.1 165 178 A R - 0 0 72 -6,-0.3 -34,-0.4 -5,-0.2 2,-0.4 -0.339 40.7-108.4 -82.6 173.3 31.1 24.1 60.6 166 179 A Q - 0 0 117 -36,-0.1 2,-0.4 -2,-0.1 -36,-0.2 -0.871 28.2-155.6-105.7 143.4 34.6 24.7 61.9 167 180 A Y E -J 129 0C 14 -38,-2.9 -38,-2.7 -2,-0.4 2,-0.0 -0.938 12.5-127.0-122.3 137.5 37.0 21.8 62.7 168 181 A S E > -J 128 0C 37 -2,-0.4 4,-2.5 -40,-0.2 5,-0.2 -0.247 31.1-106.0 -73.2 167.5 40.0 21.8 65.1 169 182 A A H > S+ 0 0 0 -42,-0.8 4,-2.2 -44,-0.5 5,-0.2 0.909 123.3 52.0 -58.3 -43.3 43.5 20.7 64.0 170 183 A Q H > S+ 0 0 80 -45,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.887 110.5 47.8 -63.3 -40.1 43.0 17.5 65.9 171 184 A E H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.893 110.3 51.9 -65.7 -41.3 39.7 16.8 64.1 172 185 A A H X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 6,-1.0 0.868 110.6 48.8 -65.2 -36.2 41.2 17.6 60.7 173 186 A E H ><5S+ 0 0 38 -4,-2.2 3,-1.2 4,-0.2 -2,-0.2 0.948 109.1 51.9 -68.2 -47.8 44.0 15.1 61.3 174 187 A R H 3<5S+ 0 0 161 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 108.8 50.6 -56.1 -37.3 41.7 12.4 62.4 175 188 A M H 3<5S- 0 0 29 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.583 119.3-111.4 -82.5 -9.2 39.6 12.7 59.3 176 189 A G T <<5S+ 0 0 17 -3,-1.2 502,-0.4 -4,-0.6 501,-0.3 0.501 89.3 104.6 102.1 6.5 42.7 12.5 57.1 177 190 A M S - 0 0 54 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.258 45.6-116.1 -57.5 152.5 52.6 23.5 68.5 184 197 A V G > S+ 0 0 52 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.856 115.8 56.8 -65.1 -32.9 52.3 26.8 66.7 185 198 A D G 3 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.514 111.6 44.9 -75.2 0.4 55.8 27.9 67.8 186 199 A R G <> S+ 0 0 133 -3,-1.9 4,-2.5 2,-0.1 -1,-0.2 0.371 84.8 98.2-115.4 -0.4 57.1 24.7 66.1 187 200 A L H <> S+ 0 0 10 -3,-1.0 4,-2.1 -4,-0.5 5,-0.1 0.909 85.7 42.6 -60.4 -48.2 55.1 25.0 62.9 188 201 A E H > S+ 0 0 78 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.938 114.0 52.6 -63.8 -46.2 57.8 26.6 60.7 189 202 A E H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.873 109.2 49.9 -53.8 -43.3 60.5 24.2 62.1 190 203 A E H X S+ 0 0 47 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.922 110.8 49.3 -65.1 -43.4 58.3 21.2 61.2 191 204 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.926 111.7 48.5 -59.6 -45.8 57.7 22.5 57.7 192 205 A I H X S+ 0 0 19 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.924 111.6 50.4 -61.8 -43.9 61.4 23.1 57.2 193 206 A Q H X S+ 0 0 85 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.927 111.9 45.9 -59.5 -47.6 62.2 19.6 58.5 194 207 A W H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.929 112.1 53.0 -61.3 -43.5 59.6 18.0 56.2 195 208 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.921 107.6 51.6 -56.1 -47.7 61.0 20.1 53.3 196 209 A K H X S+ 0 0 112 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.855 106.3 52.6 -59.8 -39.0 64.5 18.9 54.1 197 210 A E H >< S+ 0 0 37 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.902 113.5 44.8 -65.8 -37.9 63.5 15.2 54.0 198 211 A I H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.896 105.4 61.2 -68.3 -41.1 62.0 15.7 50.6 199 212 A L H 3< S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.646 98.8 57.8 -65.2 -13.7 65.0 17.7 49.3 200 213 A S T << S+ 0 0 70 -4,-0.7 1098,-0.4 -3,-0.5 -1,-0.3 0.419 93.5 89.9 -94.0 0.8 67.2 14.7 49.9 201 214 A K S < S- 0 0 10 -3,-2.2 456,-0.2 1,-0.1 454,-0.0 -0.409 95.9 -80.0 -90.5 169.1 65.1 12.5 47.6 202 215 A S > - 0 0 0 454,-2.6 4,-2.4 1,-0.2 5,-0.2 -0.590 35.8-148.4 -67.9 116.2 65.4 11.9 43.8 203 216 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.857 96.4 51.1 -56.3 -39.6 63.8 15.0 42.1 204 217 A L H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.910 109.7 49.1 -64.3 -43.9 62.6 12.9 39.1 205 218 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 112.2 49.7 -61.6 -44.6 61.0 10.2 41.3 206 219 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 111.7 46.4 -59.9 -48.4 59.2 12.9 43.3 207 220 A R H X S+ 0 0 30 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.889 112.4 50.9 -65.8 -37.2 57.8 14.7 40.3 208 221 A C H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.911 110.4 50.0 -65.2 -42.5 56.7 11.4 38.7 209 222 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.912 108.2 52.2 -58.5 -44.9 54.9 10.4 41.9 210 223 A K H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.938 112.1 46.1 -60.4 -44.7 53.1 13.8 42.1 211 224 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 15,-0.3 0.884 109.7 55.6 -62.2 -39.9 51.9 13.3 38.5 212 225 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.876 108.3 47.7 -61.7 -39.8 50.9 9.7 39.4 213 226 A F H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.2 0.921 112.2 48.3 -66.7 -45.3 48.7 11.0 42.2 214 227 A N H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-1.9 0.842 102.8 65.1 -60.9 -33.7 47.1 13.7 40.1 215 228 A A H 3< S+ 0 0 10 -4,-2.2 4,-0.3 7,-0.3 -1,-0.2 0.736 92.0 61.5 -64.4 -22.0 46.5 11.0 37.4 216 229 A D T << S+ 0 0 15 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.605 120.4 25.4 -74.4 -9.9 44.1 9.2 39.8 217 230 A C T <4 S+ 0 0 5 -3,-1.9 1307,-3.1 -4,-0.2 -2,-0.2 0.730 114.4 55.2-120.0 -38.7 41.9 12.3 39.8 218 231 A D S >X S- 0 0 3 -4,-2.7 3,-1.7 1305,-0.3 4,-1.1 0.094 75.1-153.3-105.0 22.2 42.4 14.4 36.6 219 232 A G H 3> S- 0 0 29 -4,-0.3 4,-2.1 1,-0.3 3,-0.5 -0.118 77.8 -0.7 47.9-127.9 41.7 11.9 33.7 220 233 A Q H 3> S+ 0 0 2 1301,-3.3 4,-2.3 1,-0.3 -1,-0.3 0.775 133.5 57.8 -67.2 -28.3 43.5 13.0 30.6 221 234 A A H <> S+ 0 0 4 -3,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.879 108.5 47.6 -67.0 -37.7 45.0 16.1 32.2 222 235 A G H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.5 -7,-0.3 0.893 109.9 52.5 -65.9 -40.7 46.6 13.8 34.7 223 236 A L H X S+ 0 0 5 -4,-2.1 4,-3.3 1,-0.2 5,-0.5 0.894 104.1 58.0 -59.0 -39.2 47.7 11.5 31.8 224 237 A Q H X S+ 0 0 3 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.913 110.1 42.9 -58.5 -43.3 49.3 14.6 30.2 225 238 A E H X S+ 0 0 20 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.911 118.5 43.1 -67.5 -47.2 51.4 15.2 33.4 226 239 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 -15,-0.3 -2,-0.2 0.952 119.7 41.3 -68.0 -50.2 52.4 11.5 33.9 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