==== 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 TRANSFERASE 10-NOV-08 3F7W . COMPND 2 MOLECULE: PUTATIVE FRUCTOSAMINE-3-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA YX; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 288 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 16.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 0 0 0 0 2 0 3 3 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 0 A G 0 0 44 0, 0.0 19,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 172.5 43.6 10.2 28.5 2 1 A V > - 0 0 31 1,-0.1 4,-1.7 3,-0.1 5,-0.1 0.287 360.0-154.3 -46.6 137.8 45.5 8.0 30.9 3 2 A N H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.1 5,-0.1 0.793 108.8 58.3 -67.4 -29.7 46.3 8.7 34.6 4 3 A S H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 101.4 51.8 -67.7 -40.5 49.2 6.3 33.6 5 4 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.959 110.0 50.1 -51.6 -54.5 50.3 8.8 30.8 6 5 A A H X S+ 0 0 22 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.912 111.7 47.6 -53.9 -45.6 50.3 11.6 33.4 7 6 A A H X S+ 0 0 62 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.910 111.6 49.4 -62.8 -46.3 52.4 9.6 35.8 8 7 A R H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.918 111.2 50.0 -63.0 -41.8 54.9 8.5 33.2 9 8 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 6,-0.4 0.942 110.0 49.7 -63.2 -47.6 55.3 12.1 32.0 10 9 A T H X S+ 0 0 55 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.922 112.2 48.3 -58.0 -42.9 55.9 13.4 35.5 11 10 A E H < S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 116.5 42.9 -61.0 -44.0 58.5 10.7 36.1 12 11 A L H < S+ 0 0 48 -4,-2.4 70,-0.2 1,-0.2 -2,-0.2 0.807 127.4 27.7 -77.1 -30.3 60.3 11.5 32.8 13 12 A T H < S- 0 0 32 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.576 91.5-131.3-105.3 -16.9 60.2 15.3 32.9 14 13 A G < + 0 0 68 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.1 0.525 69.3 121.5 71.8 8.2 60.1 16.0 36.7 15 14 A R - 0 0 107 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.793 69.3-108.6-107.8 146.8 57.2 18.4 36.0 16 15 A E - 0 0 143 -2,-0.3 21,-2.2 -3,-0.1 2,-0.5 -0.504 29.9-137.4 -72.2 133.5 53.7 18.3 37.5 17 16 A V E +A 36 0A 26 19,-0.3 19,-0.3 -2,-0.2 3,-0.1 -0.836 22.9 177.5 -96.2 124.9 50.9 17.3 35.0 18 17 A A E + 0 0 65 17,-3.1 2,-0.3 -2,-0.5 18,-0.2 0.722 66.0 4.5 -95.4 -26.7 47.6 19.3 35.1 19 18 A A E -A 35 0A 48 16,-1.8 16,-2.5 -13,-0.0 2,-0.4 -0.995 49.5-159.6-160.0 152.0 45.8 17.6 32.2 20 19 A V E -A 34 0A 29 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.994 13.4-177.3-135.0 129.7 45.8 14.8 29.6 21 20 A A E -A 33 0A 32 12,-2.6 12,-2.3 -2,-0.4 2,-0.2 -0.986 28.4-116.7-126.4 139.5 43.7 14.8 26.4 22 21 A E E +A 32 0A 134 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.484 26.5 178.7 -74.1 138.8 43.6 12.0 23.8 23 22 A R E - 0 0 121 8,-3.1 9,-0.2 1,-0.4 2,-0.2 -0.061 47.8-102.0-129.8 31.6 44.8 12.9 20.3 24 23 A G E - 0 0 47 7,-0.3 7,-3.1 6,-0.0 -1,-0.4 -0.522 43.7 -72.2 91.6-152.6 44.3 9.6 18.5 25 24 A H E -A 30 0A 86 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.944 21.7-157.9-147.0 158.4 46.8 6.9 17.5 26 25 A S E > -A 29 0A 39 3,-2.6 3,-2.7 -2,-0.3 2,-0.0 -0.955 65.6 -49.4-143.9 128.3 49.6 6.1 15.0 27 26 A H T 3 S- 0 0 86 -2,-0.3 102,-0.0 1,-0.3 0, 0.0 -0.302 125.9 -13.2 48.2-110.9 50.7 2.6 14.1 28 27 A R T 3 S+ 0 0 155 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.268 123.7 70.7-104.6 4.0 51.1 0.8 17.5 29 28 A W E < S-A 26 0A 18 -3,-2.7 -3,-2.6 18,-0.1 2,-0.3 -0.817 70.1-122.4-129.3 162.2 51.1 3.8 19.9 30 29 A H E -AB 25 46A 78 16,-2.8 16,-2.2 -2,-0.3 2,-0.3 -0.742 20.4-138.1-105.4 152.3 48.6 6.4 21.3 31 30 A L E + B 0 45A 27 -7,-3.1 -8,-3.1 -2,-0.3 -7,-0.3 -0.856 22.7 174.8-116.6 144.5 48.9 10.2 21.0 32 31 A Y E -AB 22 44A 21 12,-2.1 12,-2.6 -2,-0.3 2,-0.6 -0.995 32.7-137.2-145.9 148.8 48.1 12.8 23.7 33 32 A R E -AB 21 43A 56 -12,-2.3 -12,-2.6 -2,-0.3 2,-0.5 -0.965 32.7-170.2 -98.7 119.7 48.2 16.5 24.5 34 33 A V E -AB 20 42A 0 8,-2.9 8,-2.6 -2,-0.6 2,-0.5 -0.963 7.0-155.3-117.7 128.7 49.5 16.8 28.1 35 34 A E E -AB 19 41A 63 -16,-2.5 -17,-3.1 -2,-0.5 -16,-1.8 -0.886 8.1-143.8-110.4 128.8 49.5 20.0 30.0 36 35 A L E > -A 17 0A 4 4,-2.9 3,-2.2 -2,-0.5 -19,-0.3 -0.345 35.7 -93.9 -81.4 171.1 51.9 20.8 32.8 37 36 A A T 3 S+ 0 0 61 -21,-2.2 -20,-0.1 1,-0.3 -1,-0.1 0.773 125.1 51.0 -58.4 -33.1 51.0 22.8 35.9 38 37 A D T 3 S- 0 0 108 -22,-0.2 -1,-0.3 2,-0.1 -21,-0.1 0.287 125.1 -98.3 -87.3 8.1 52.2 26.1 34.4 39 38 A G S < S+ 0 0 31 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.0 0.287 73.0 149.4 94.6 -10.6 50.2 25.6 31.2 40 39 A T - 0 0 49 -5,-0.1 -4,-2.9 1,-0.1 2,-0.3 -0.392 37.8-143.5 -61.5 122.9 53.1 24.2 29.2 41 40 A P E -B 35 0A 34 0, 0.0 50,-1.4 0, 0.0 2,-0.4 -0.732 15.8-167.7 -92.3 146.8 51.7 21.8 26.6 42 41 A L E -BC 34 90A 9 -8,-2.6 -8,-2.9 -2,-0.3 2,-0.5 -0.962 20.2-136.6-128.7 142.1 53.4 18.6 25.5 43 42 A F E -BC 33 89A 33 46,-2.9 46,-2.6 -2,-0.4 2,-0.4 -0.901 32.3-169.2 -94.8 125.9 52.9 16.2 22.6 44 43 A V E -BC 32 88A 0 -12,-2.6 -12,-2.1 -2,-0.5 2,-0.4 -0.972 17.4-165.9-128.0 127.0 53.2 12.7 24.1 45 44 A K E +BC 31 87A 7 42,-2.8 42,-2.5 -2,-0.4 2,-0.3 -0.905 20.5 176.9-101.7 140.5 53.4 9.3 22.3 46 45 A A E -BC 30 86A 2 -16,-2.2 -16,-2.8 -2,-0.4 40,-0.2 -0.971 28.5-140.1-150.4 131.7 52.9 6.3 24.5 47 46 A L - 0 0 4 38,-2.7 -18,-0.1 -2,-0.3 3,-0.1 -0.566 48.1 -93.8 -74.5 149.5 52.7 2.6 24.0 48 47 A P > - 0 0 49 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.358 51.0 -82.9 -62.6 157.3 50.0 1.0 26.2 49 48 A D T 3 S+ 0 0 86 1,-0.3 -3,-0.0 -3,-0.1 -45,-0.0 -0.301 113.2 3.1 -56.4 127.9 50.9 -0.3 29.6 50 49 A D T 3 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 3,-0.0 0.215 92.7 138.5 78.6 -8.7 52.3 -3.8 29.3 51 50 A A < - 0 0 25 -3,-1.5 -1,-0.2 1,-0.1 2,-0.2 -0.355 58.7-114.4 -73.0 143.3 52.2 -4.0 25.5 52 51 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.557 40.4-164.4 -74.0 145.5 55.2 -5.6 23.8 53 52 A A - 0 0 43 -2,-0.2 2,-0.1 -6,-0.1 3,-0.1 -0.947 25.0 -88.6-136.4 152.5 57.0 -3.1 21.8 54 53 A L > - 0 0 67 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.358 53.3 -99.0 -62.3 132.2 59.6 -3.0 19.0 55 54 A D T 3 S- 0 0 125 1,-0.3 -1,-0.1 2,-0.1 29,-0.0 -0.318 101.2 -6.9 -52.5 108.6 63.3 -3.0 20.2 56 55 A G T 3> S+ 0 0 14 -2,-0.3 4,-2.0 -3,-0.1 -1,-0.3 0.605 91.1 132.2 82.9 10.6 64.7 0.6 20.1 57 56 A L H <> S+ 0 0 17 -3,-1.9 4,-1.2 2,-0.2 3,-0.1 0.970 77.4 35.0 -63.2 -57.3 61.6 2.1 18.4 58 57 A F H > S+ 0 0 8 26,-0.4 4,-2.8 -4,-0.4 3,-0.3 0.893 114.2 60.8 -65.9 -37.3 61.1 5.1 20.7 59 58 A R H > S+ 0 0 113 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.881 99.1 56.4 -53.2 -43.5 64.9 5.4 21.1 60 59 A A H X S+ 0 0 11 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.895 112.4 41.4 -59.6 -41.2 65.3 6.0 17.3 61 60 A E H X S+ 0 0 22 -4,-1.2 4,-3.0 -3,-0.3 -2,-0.2 0.923 115.6 48.8 -72.8 -45.4 62.9 8.9 17.4 62 61 A A H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.934 118.6 40.0 -60.1 -48.4 64.3 10.4 20.8 63 62 A L H X S+ 0 0 48 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.882 115.7 51.9 -68.3 -38.3 67.9 10.2 19.5 64 63 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.4 5,-0.2 0.914 109.4 49.4 -66.8 -40.5 67.0 11.3 16.0 65 64 A L H X S+ 0 0 4 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.918 113.0 47.6 -62.6 -42.6 65.2 14.4 17.4 66 65 A D H < S+ 0 0 90 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 116.6 42.9 -64.0 -43.9 68.2 15.3 19.5 67 66 A W H >< S+ 0 0 39 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.899 116.4 45.4 -72.0 -42.1 70.6 14.8 16.7 68 67 A L H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.774 103.0 67.9 -72.6 -20.7 68.5 16.5 14.0 69 68 A G T 3< + 0 0 24 -4,-1.6 2,-1.1 -5,-0.2 -1,-0.2 0.384 69.7 96.8 -86.6 1.1 67.7 19.5 16.3 70 69 A R < + 0 0 150 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.2 -0.508 62.1 96.9 -97.0 61.0 71.2 21.0 16.6 71 70 A S S > S- 0 0 23 -2,-1.1 3,-1.6 44,-0.0 2,-0.2 -0.985 83.3 -85.0-137.0 164.2 70.9 23.7 13.9 72 71 A F T 3 S+ 0 0 195 -2,-0.3 39,-0.1 1,-0.3 40,-0.1 -0.426 115.6 4.8 -65.8 132.5 70.2 27.4 13.8 73 72 A G T 3 S- 0 0 41 1,-0.2 -1,-0.3 -2,-0.2 39,-0.1 0.801 94.5-160.9 59.6 32.3 66.4 28.1 13.7 74 73 A S < - 0 0 36 -3,-1.6 -1,-0.2 -5,-0.2 -5,-0.1 -0.102 19.9-155.0 -46.1 131.9 65.9 24.3 14.1 75 74 A P + 0 0 2 0, 0.0 134,-2.5 0, 0.0 -1,-0.2 0.328 63.5 107.5 -88.3 10.7 62.4 23.2 13.0 76 75 A V S S- 0 0 13 132,-0.2 134,-0.1 -8,-0.1 -2,-0.0 -0.725 73.3-118.0 -94.6 132.4 62.7 20.1 15.3 77 76 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.345 28.6-114.1 -65.1 147.6 60.7 19.9 18.5 78 77 A Q - 0 0 151 1,-0.0 12,-2.6 -2,-0.0 2,-0.5 -0.567 26.0-126.2 -78.1 142.5 62.5 19.7 21.8 79 78 A V E -D 89 0A 50 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.790 19.1-171.2 -93.7 128.5 62.1 16.5 23.8 80 79 A A E - 0 0 44 8,-2.7 2,-0.3 -2,-0.5 9,-0.2 0.738 68.5 -34.7 -87.1 -30.2 61.0 16.9 27.4 81 80 A G E -D 88 0A 9 7,-1.9 7,-2.8 2,-0.0 -1,-0.4 -0.907 60.0-175.7 177.2 157.6 61.6 13.2 28.3 82 81 A W E +D 87 0A 77 -2,-0.3 2,-0.3 -70,-0.2 5,-0.2 -0.997 11.0 171.4-160.8 160.1 61.5 9.7 27.0 83 82 A D E > -D 86 0A 55 3,-2.5 3,-0.6 -2,-0.3 -21,-0.1 -0.849 61.2 -74.8-151.1-171.1 61.9 6.0 27.6 84 83 A D T 3 S+ 0 0 93 -2,-0.3 -26,-0.4 1,-0.2 -27,-0.1 0.646 132.3 35.8 -67.5 -12.8 61.2 2.9 25.6 85 84 A R T 3 S+ 0 0 66 1,-0.2 -38,-2.7 -27,-0.1 2,-0.3 0.537 119.0 40.4-108.5 -17.1 57.5 3.3 26.2 86 85 A T E < -CD 46 83A 0 -3,-0.6 -3,-2.5 -40,-0.2 2,-0.4 -0.992 48.8-172.3-146.8 137.7 56.9 7.1 26.2 87 86 A L E -CD 45 82A 0 -42,-2.5 -42,-2.8 -2,-0.3 2,-0.5 -0.960 10.2-173.1-138.5 118.3 58.1 10.1 24.2 88 87 A A E +CD 44 81A 0 -7,-2.8 -8,-2.7 -2,-0.4 -7,-1.9 -0.970 17.7 157.0-115.7 125.1 57.2 13.6 25.5 89 88 A X E -CD 43 79A 2 -46,-2.6 -46,-2.9 -2,-0.5 -10,-0.2 -0.875 47.0 -58.8-140.2 171.7 58.0 16.7 23.4 90 89 A E E -C 42 0A 88 -12,-2.6 2,-0.4 -2,-0.3 -48,-0.2 -0.240 52.5-126.7 -51.5 131.9 57.1 20.2 22.7 91 90 A W - 0 0 46 -50,-1.4 2,-0.5 -57,-0.1 -1,-0.1 -0.736 20.8-153.0 -84.8 135.2 53.5 20.7 21.5 92 91 A V - 0 0 18 -2,-0.4 2,-0.7 -15,-0.0 110,-0.1 -0.945 6.4-152.0-111.8 127.6 53.0 22.6 18.3 93 92 A D - 0 0 101 -2,-0.5 -2,-0.0 108,-0.1 108,-0.0 -0.888 29.3-132.7 -97.0 111.0 49.8 24.6 17.5 94 93 A E - 0 0 131 -2,-0.7 109,-0.2 109,-0.1 107,-0.0 -0.200 21.0-165.0 -69.0 154.3 49.5 24.5 13.8 95 94 A R - 0 0 119 107,-2.0 107,-0.3 3,-0.0 3,-0.1 -0.889 34.9 -86.0-130.9 156.1 48.8 27.6 11.6 96 95 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 105,-0.0 -0.363 55.3 -97.5 -60.6 147.0 47.7 27.8 8.0 97 96 A P - 0 0 48 0, 0.0 136,-0.1 0, 0.0 107,-0.1 -0.402 45.0-175.9 -65.0 143.9 50.6 27.8 5.5 98 97 A T > - 0 0 41 105,-0.2 4,-2.0 108,-0.1 5,-0.1 -0.970 37.4-120.3-136.9 153.2 51.8 31.1 4.2 99 98 A P H > S+ 0 0 26 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.868 114.7 55.9 -62.4 -31.9 54.4 32.1 1.6 100 99 A E H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.907 109.3 44.9 -63.9 -44.6 56.4 34.0 4.3 101 100 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.847 109.7 58.0 -66.0 -36.3 56.6 30.9 6.5 102 101 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 106.0 47.0 -63.0 -46.5 57.6 28.8 3.4 103 102 A E H X S+ 0 0 95 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.925 114.1 48.2 -59.9 -41.8 60.6 31.0 2.7 104 103 A R H X S+ 0 0 143 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.921 108.6 53.8 -68.2 -37.6 61.6 30.8 6.3 105 104 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.875 102.3 59.0 -64.9 -37.2 61.2 27.0 6.4 106 105 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.928 108.3 45.0 -54.7 -47.5 63.5 26.7 3.3 107 106 A H H X S+ 0 0 79 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.888 110.7 54.2 -62.9 -43.2 66.2 28.3 5.3 108 107 A Q H X S+ 0 0 32 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.907 109.8 47.1 -56.6 -47.4 65.5 26.2 8.4 109 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.872 108.9 53.9 -65.2 -41.6 65.8 23.0 6.4 110 109 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.922 111.1 45.5 -57.1 -46.5 69.0 24.0 4.7 111 110 A A H X S+ 0 0 36 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.894 112.4 52.6 -66.3 -37.9 70.7 24.7 8.1 112 111 A X H >< S+ 0 0 0 -4,-2.0 3,-0.9 -5,-0.2 4,-0.3 0.961 113.4 42.7 -60.2 -54.4 69.3 21.4 9.4 113 112 A H H >< S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.2 77,-1.6 0.900 110.7 55.6 -58.8 -44.7 70.8 19.4 6.5 114 113 A L H 3< S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.521 79.3 86.3 -77.5 -5.9 74.1 21.3 6.5 115 114 A A T << S- 0 0 42 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.842 91.8-160.0 -53.2 -31.6 74.8 20.4 10.2 116 115 A G < - 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0 0 13 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.269 33.1-163.4 -72.5 154.5 61.5 11.8 12.0 213 212 A A - 0 0 8 -21,-2.8 -152,-0.1 -149,-0.1 -22,-0.1 -0.646 40.8-166.0-121.1 64.4 63.3 8.7 10.7 214 213 A A + 0 0 2 -154,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.235 23.3 126.1 -74.0 140.0 66.5 10.7 11.1 215 214 A H E - G 0 191C 7 -24,-1.7 -24,-2.4 -26,-0.1 2,-0.6 -0.976 65.3 -70.5-167.6 172.8 69.9 9.7 9.7 216 215 A G E S+FG 121 190C 0 -95,-3.1 -95,-2.7 -2,-0.3 2,-0.2 -0.722 74.1 139.3 -72.5 118.6 72.8 10.7 7.6 217 216 A G E - G 0 189C 1 -28,-2.2 -28,-3.2 -2,-0.6 2,-0.5 -0.828 60.4 -66.9-150.2 179.0 71.3 10.7 4.1 218 217 A H >> - 0 0 9 -2,-0.2 3,-2.0 -30,-0.2 4,-0.5 -0.718 39.7-138.3 -79.1 128.5 71.3 12.6 0.8 219 218 A R H >> S+ 0 0 26 -2,-0.5 4,-1.2 1,-0.3 3,-0.6 0.808 101.2 69.0 -59.3 -29.1 69.7 15.9 1.4 220 219 A E H 3> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.782 87.0 70.3 -57.5 -26.5 67.8 15.5 -1.9 221 220 A A H <> S+ 0 0 26 -3,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.930 98.8 45.2 -55.8 -50.0 65.8 12.7 -0.2 222 221 A D H - 0 0 20 -4,-0.1 3,-1.6 -35,-0.1 4,-0.2 -0.962 27.9 -95.8-156.6 141.0 53.6 20.7 0.0 232 231 A P T 3 S+ 0 0 51 0, 0.0 5,-0.1 0, 0.0 -134,-0.1 -0.378 112.4 2.5 -55.5 135.8 52.0 24.1 0.3 233 232 A Y T 3> S+ 0 0 95 1,-0.1 4,-2.1 -136,-0.1 3,-0.3 0.791 82.5 162.8 55.9 33.7 54.3 26.6 -1.3 234 233 A L H <> S+ 0 0 28 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.891 70.5 50.9 -49.3 -49.2 56.8 23.9 -2.3 235 234 A D H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.870 108.9 51.1 -64.0 -36.5 58.6 26.1 -4.8 236 235 A R H > S+ 0 0 116 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.884 111.2 48.6 -64.5 -38.5 59.0 28.9 -2.3 237 236 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.955 115.6 43.7 -63.9 -50.4 60.5 26.4 0.2 238 237 A R H X S+ 0 0 20 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.874 113.1 51.3 -65.0 -40.6 62.9 25.0 -2.4 239 238 A D H X S+ 0 0 88 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.925 112.8 45.0 -60.5 -47.4 63.8 28.4 -3.8 240 239 A A H >X S+ 0 0 3 -4,-2.2 4,-1.0 2,-0.2 3,-0.6 0.933 113.8 51.1 -63.4 -43.7 64.7 29.7 -0.3 241 240 A Y H >X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.8 0.940 109.3 50.4 -53.3 -50.7 66.6 26.5 0.4 242 241 A N H 3< S+ 0 0 33 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.706 100.6 64.7 -65.7 -20.4 68.5 26.9 -2.8 243 242 A E H << S+ 0 0 135 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.895 117.6 25.0 -65.5 -39.1 69.5 30.5 -1.9 244 243 A V H << S+ 0 0 76 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.1 0.707 141.1 17.9-103.6 -29.9 71.5 29.3 1.1 245 244 A A S < S- 0 0 6 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 -0.468 82.5-153.6-140.5 66.4 72.5 25.7 0.2 246 245 A P - 0 0 83 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.102 18.7-119.7 -49.6 131.9 72.0 25.3 -3.6 247 246 A L - 0 0 15 1,-0.1 3,-0.1 -28,-0.0 4,-0.1 -0.305 38.4 -88.5 -66.5 153.7 71.4 21.8 -4.7 248 247 A A > - 0 0 38 1,-0.1 3,-1.4 -64,-0.1 -1,-0.1 -0.295 58.9 -80.7 -61.5 148.4 73.9 20.1 -7.1 249 248 A E T 3 S+ 0 0 189 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.211 116.6 27.1 -53.1 137.8 73.2 20.7 -10.8 250 249 A G T 3> S+ 0 0 39 -3,-0.1 4,-1.1 -67,-0.1 3,-0.4 0.511 74.1 137.5 87.7 6.6 70.5 18.3 -12.2 251 250 A W H <> + 0 0 33 -3,-1.4 4,-0.5 1,-0.2 3,-0.4 0.841 65.7 59.4 -54.0 -38.9 68.7 17.8 -8.9 252 251 A R H >4 S+ 0 0 138 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.935 104.4 50.0 -58.4 -45.0 65.2 18.1 -10.6 253 252 A A H 34 S+ 0 0 51 -3,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.759 107.8 55.7 -63.6 -28.2 65.9 15.1 -12.9 254 253 A R H 3X S+ 0 0 28 -4,-1.1 4,-1.7 -3,-0.4 -1,-0.3 0.468 77.5 98.3 -83.7 -3.1 67.0 13.1 -9.8 255 254 A I H > S+ 0 0 26 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.896 105.6 57.3 -54.3 -41.5 62.3 10.2 -8.9 257 256 A L H >4 S+ 0 0 5 -4,-0.3 3,-1.2 1,-0.3 4,-0.4 0.930 108.6 46.7 -52.1 -48.4 65.5 8.3 -7.9 258 257 A H H 3< S+ 0 0 4 -4,-1.7 -1,-0.3 1,-0.2 -3,-0.1 0.568 106.0 60.0 -73.7 -12.1 65.2 9.7 -4.4 259 258 A Q H S+ 0 0 16 -4,-0.4 4,-2.2 1,-0.2 3,-0.2 0.970 112.7 41.9 -59.6 -58.6 62.9 4.4 -1.1 262 261 A P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 113.6 54.3 -59.0 -36.2 59.7 6.0 0.4 263 262 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 108.1 48.2 -65.5 -39.4 57.6 4.5 -2.4 264 263 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.881 110.5 52.1 -64.4 -39.0 58.8 1.0 -1.6 265 264 A V H X S+ 0 0 4 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.920 109.3 50.5 -60.9 -41.7 58.1 1.6 2.1 266 265 A H H X>S+ 0 0 18 -4,-2.2 4,-3.4 2,-0.2 5,-0.7 0.911 109.0 49.9 -65.5 -41.1 54.6 2.6 1.2 267 266 A V H X5S+ 0 0 1 -4,-2.2 4,-1.4 3,-0.2 -1,-0.2 0.931 113.6 48.4 -63.8 -40.2 54.0 -0.5 -0.9 268 267 A C H <5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.931 122.0 32.2 -60.6 -48.3 55.3 -2.5 2.1 269 268 A L H <5S+ 0 0 47 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.807 134.8 21.7 -81.5 -33.9 53.1 -0.8 4.7 270 269 A F H <5S- 0 0 116 -4,-3.4 3,-0.4 1,-0.2 -3,-0.2 0.487 95.9-141.9-124.1 -11.1 50.0 0.1 2.8 271 270 A G ><< - 0 0 22 -4,-1.4 3,-1.4 -5,-0.7 -1,-0.2 -0.432 55.9 -2.7 95.0-154.0 49.9 -2.3 -0.2 272 271 A A G >> S+ 0 0 75 1,-0.3 3,-2.5 2,-0.2 4,-0.6 0.674 104.1 85.1 -55.1 -29.3 48.9 -2.1 -3.9 273 272 A A G 34 S+ 0 0 80 -3,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.813 98.8 39.4 -45.3 -36.7 47.7 1.5 -3.9 274 273 A Y G <> S+ 0 0 70 -3,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.375 88.9 94.9-100.0 0.0 51.2 2.7 -4.4 275 274 A R H <> S+ 0 0 78 -3,-2.5 4,-2.7 2,-0.2 5,-0.2 0.936 84.8 47.4 -58.8 -53.2 52.5 0.1 -6.9 276 275 A T H X S+ 0 0 81 -4,-0.6 4,-3.0 1,-0.2 5,-0.2 0.913 112.3 50.9 -61.8 -36.3 51.8 1.9 -10.1 277 276 A T H > S+ 0 0 55 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.930 110.1 50.5 -64.2 -43.5 53.4 5.1 -8.7 278 277 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.953 113.1 45.7 -55.2 -49.9 56.5 3.0 -7.8 279 278 A V H X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.939 113.9 47.8 -61.4 -47.1 56.6 1.5 -11.3 280 279 A D H X S+ 0 0 91 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.868 113.0 49.0 -61.7 -39.3 56.2 4.9 -13.0 281 280 A T H X S+ 0 0 14 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.877 109.6 51.1 -70.4 -40.3 58.8 6.5 -10.8 282 281 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.938 111.1 48.9 -59.6 -49.0 61.3 3.7 -11.4 283 282 A R H X S+ 0 0 140 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.911 112.1 49.0 -55.9 -43.8 60.8 4.1 -15.2 284 283 A A H < S+ 0 0 19 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.901 109.1 51.8 -63.9 -45.3 61.3 7.8 -14.8 285 284 A A H >< S+ 0 0 2 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.907 107.0 54.9 -55.1 -44.3 64.5 7.4 -12.8 286 285 A L H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 113.5 39.5 -61.1 -35.6 65.9 5.1 -15.5 287 286 A R T 3< 0 0 188 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.316 360.0 360.0 -98.0 9.0 65.3 7.6 -18.3 288 287 A A < 0 0 77 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.802 360.0 360.0 -70.3 360.0 66.5 10.6 -16.1