==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-10 3LM9 . COMPND 2 MOLECULE: FRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.NOCEK,A.STEIN,M.CUFF,L.VOLKART,A.JOACHIMIAK,MIDWEST CENTER . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 10.2 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 0 0 1 1 0 0 2 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 0 2 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 . 0 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 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 A 0 0 93 0, 0.0 19,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 61.2 62.8 -58.5 -16.1 2 1 A X - 0 0 34 48,-0.4 50,-2.9 17,-0.1 51,-0.6 -0.718 360.0-167.3-102.6 144.7 62.4 -54.7 -16.8 3 2 A L E -Ab 18 53A 4 15,-2.9 15,-3.1 -2,-0.3 2,-0.3 -0.901 10.1-139.6-129.2 148.2 59.8 -53.0 -18.9 4 3 A G E -Ab 17 54A 0 49,-2.8 51,-1.4 -2,-0.3 2,-0.3 -0.826 13.8-169.6-108.3 147.5 59.3 -49.6 -20.3 5 4 A G E -Ab 16 55A 0 11,-2.8 11,-2.4 -2,-0.3 2,-0.4 -0.986 7.9-167.4-133.3 147.5 56.1 -47.4 -20.6 6 5 A I E -Ab 15 56A 0 49,-2.1 51,-2.3 -2,-0.3 2,-0.8 -0.993 4.3-166.1-127.8 117.3 55.3 -44.2 -22.4 7 6 A E E -Ab 14 57A 54 7,-3.1 7,-1.6 -2,-0.4 2,-0.7 -0.927 18.5-156.8-101.5 102.6 52.1 -42.3 -21.6 8 7 A A E +Ab 13 58A 0 49,-2.2 51,-1.5 -2,-0.8 2,-0.3 -0.732 18.2 175.3 -83.1 113.4 51.9 -39.9 -24.6 9 8 A G - 0 0 19 3,-1.5 -2,-0.0 -2,-0.7 49,-0.0 -0.741 42.7-116.0-113.2 165.6 49.8 -36.9 -23.7 10 9 A G S S+ 0 0 26 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.789 116.6 28.3 -71.8 -24.2 49.1 -33.8 -25.7 11 10 A T S S+ 0 0 111 1,-0.3 21,-2.4 20,-0.1 2,-0.3 0.810 130.8 11.3-103.0 -39.6 50.9 -31.6 -23.1 12 11 A K E - C 0 31A 100 19,-0.3 -3,-1.5 2,-0.0 2,-0.4 -0.959 55.3-139.4-141.0 155.3 53.5 -34.0 -21.8 13 12 A F E -AC 8 30A 0 17,-2.7 17,-2.0 -2,-0.3 2,-0.4 -0.899 16.4-164.4-101.4 140.9 55.1 -37.4 -22.2 14 13 A V E -AC 7 29A 5 -7,-1.6 -7,-3.1 -2,-0.4 2,-0.3 -0.999 8.0-172.5-121.4 122.9 55.8 -39.5 -19.1 15 14 A C E +AC 6 28A 0 13,-2.1 13,-2.7 -2,-0.4 2,-0.3 -0.906 8.9 175.0-109.1 151.7 58.2 -42.4 -19.6 16 15 A A E -AC 5 27A 0 -11,-2.4 -11,-2.8 -2,-0.3 2,-0.3 -0.974 26.1-143.5-151.1 159.0 58.9 -45.0 -17.0 17 16 A V E +AC 4 26A 0 9,-2.1 8,-3.1 -2,-0.3 9,-1.6 -0.960 41.4 129.9-121.3 140.5 60.7 -48.2 -16.3 18 17 A G E -AC 3 24A 0 -15,-3.1 -15,-2.9 -2,-0.3 2,-0.2 -0.920 46.6 -84.4-167.8-169.5 59.1 -50.8 -14.1 19 18 A R > - 0 0 104 4,-1.7 3,-1.9 -2,-0.3 -17,-0.1 -0.689 39.7-104.4-118.1 166.2 58.1 -54.5 -13.5 20 19 A E T 3 S+ 0 0 111 -19,-0.4 -18,-0.1 1,-0.3 266,-0.0 0.597 116.5 65.0 -69.3 -17.8 55.1 -56.6 -14.4 21 20 A D T 3 S- 0 0 97 2,-0.1 -1,-0.3 94,-0.0 262,-0.0 0.391 122.0-106.2 -79.9 -0.4 53.7 -56.4 -10.9 22 21 A G < + 0 0 9 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.330 68.9 146.7 97.2 -5.1 53.3 -52.7 -11.5 23 22 A T - 0 0 72 1,-0.1 -4,-1.7 259,-0.0 2,-0.5 -0.397 44.3-133.9 -63.0 136.5 56.2 -51.2 -9.5 24 23 A I E +C 18 0A 51 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.841 23.3 179.7 -92.4 124.5 57.7 -48.1 -10.9 25 24 A I E - 0 0 71 -8,-3.1 2,-0.3 -2,-0.5 -7,-0.2 0.844 67.5 -13.2 -88.8 -41.5 61.5 -48.2 -10.9 26 25 A D E -C 17 0A 62 -9,-1.6 -9,-2.1 2,-0.0 -1,-0.4 -0.991 61.5-169.8-159.1 153.8 62.1 -44.8 -12.5 27 26 A R E -C 16 0A 92 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.998 6.3-176.0-153.8 158.7 60.4 -42.1 -14.4 28 27 A I E -C 15 0A 73 -13,-2.7 -13,-2.1 -2,-0.3 2,-0.3 -0.959 7.1-162.5-143.4 155.2 60.8 -39.0 -16.4 29 28 A E E +C 14 0A 94 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.989 11.3 167.0-137.9 156.9 58.6 -36.5 -18.0 30 29 A F E -C 13 0A 19 -17,-2.0 -17,-2.7 -2,-0.3 3,-0.0 -0.986 41.8 -78.0-159.9 156.1 59.0 -33.8 -20.7 31 30 A P E -C 12 0A 74 0, 0.0 2,-0.5 0, 0.0 -19,-0.3 -0.278 43.4-115.2 -59.6 139.2 56.8 -31.5 -22.9 32 31 A T + 0 0 8 -21,-2.4 2,-0.1 -22,-0.0 -22,-0.0 -0.691 51.7 153.9 -70.7 124.5 55.2 -32.9 -26.0 33 32 A K - 0 0 124 -2,-0.5 -1,-0.0 1,-0.4 -3,-0.0 -0.199 56.4 -28.7-126.2-147.3 56.7 -31.1 -28.9 34 33 A X > - 0 0 94 -2,-0.1 4,-1.8 1,-0.1 -1,-0.4 -0.402 68.5-113.3 -66.8 159.9 57.1 -32.3 -32.5 35 34 A P H > S+ 0 0 6 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.882 107.5 56.5 -68.1 -42.2 57.3 -36.0 -32.8 36 35 A D H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.927 116.4 37.1 -55.6 -48.6 60.8 -36.5 -34.1 37 36 A E H > S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.747 116.2 53.0 -78.7 -26.5 62.3 -34.7 -31.2 38 37 A T H X S+ 0 0 2 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.920 112.2 43.7 -72.1 -46.0 59.8 -36.0 -28.7 39 38 A I H X S+ 0 0 5 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.859 108.6 59.8 -65.8 -36.1 60.5 -39.7 -29.6 40 39 A E H X S+ 0 0 109 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.936 103.7 49.8 -58.6 -43.5 64.2 -39.0 -29.6 41 40 A K H X S+ 0 0 85 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.853 109.9 53.8 -61.1 -31.3 63.9 -37.9 -26.0 42 41 A V H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.970 110.1 44.6 -66.1 -52.0 62.1 -41.2 -25.4 43 42 A I H X S+ 0 0 29 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.880 110.0 55.5 -58.8 -42.4 64.8 -43.3 -26.9 44 43 A Q H < S+ 0 0 118 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.895 109.4 47.2 -61.3 -39.1 67.5 -41.3 -25.1 45 44 A Y H >< S+ 0 0 17 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.927 113.6 46.3 -69.0 -45.7 65.8 -42.1 -21.7 46 45 A F H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.776 93.2 79.4 -69.0 -20.1 65.3 -45.8 -22.4 47 46 A S T 3< S+ 0 0 89 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.686 86.0 62.1 -64.9 -16.2 68.9 -46.3 -23.7 48 47 A Q T < S+ 0 0 143 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.3 0.633 100.9 59.9 -79.5 -11.8 70.1 -46.3 -20.1 49 48 A F S < S- 0 0 37 -3,-2.3 2,-0.8 -4,-0.2 -45,-0.0 -0.755 79.6-124.7-119.9 157.5 68.1 -49.5 -19.2 50 49 A S - 0 0 95 -2,-0.3 -48,-0.4 -47,-0.0 2,-0.4 -0.913 41.9-175.2-101.9 106.1 68.0 -53.0 -20.4 51 50 A L - 0 0 16 -2,-0.8 -48,-0.2 -5,-0.1 3,-0.1 -0.812 30.2-164.5-108.2 147.2 64.4 -53.4 -21.3 52 51 A Q S S- 0 0 81 -50,-2.9 2,-0.3 -2,-0.4 -49,-0.2 0.655 76.4 -6.3 -94.9 -25.7 62.6 -56.5 -22.5 53 52 A A E -b 3 0A 0 -51,-0.6 -49,-2.8 44,-0.2 2,-0.3 -0.985 57.5-144.7-165.3 162.0 59.5 -54.7 -23.8 54 53 A I E -bd 4 99A 0 44,-2.1 46,-2.6 -2,-0.3 2,-0.4 -0.935 6.4-156.5-133.7 151.3 57.7 -51.3 -24.0 55 54 A G E -bd 5 100A 0 -51,-1.4 -49,-2.1 -2,-0.3 2,-0.5 -0.999 5.1-156.3-128.4 138.6 54.1 -50.3 -23.9 56 55 A I E -bd 6 101A 0 44,-2.0 46,-1.8 -2,-0.4 2,-0.5 -0.960 8.3-175.2-114.8 124.2 52.6 -47.0 -25.3 57 56 A G E -bd 7 102A 0 -51,-2.3 -49,-2.2 -2,-0.5 2,-0.3 -0.992 25.1-176.0-113.3 113.9 49.3 -45.6 -24.0 58 57 A S E -bd 8 103A 0 44,-2.3 46,-2.0 -2,-0.5 47,-0.3 -0.831 32.9-107.9-114.2 147.4 48.6 -42.6 -26.3 59 58 A F + 0 0 28 -51,-1.5 -50,-0.0 -2,-0.3 43,-0.0 -0.442 67.5 116.8 -59.6 148.2 46.0 -39.9 -26.5 60 59 A G S S- 0 0 24 14,-0.1 2,-0.2 2,-0.1 14,-0.1 -0.523 89.1-127.5-127.6-164.6 43.8 -40.7 -29.5 61 60 A P S S+ 0 0 43 0, 0.0 14,-1.4 0, 0.0 15,-1.1 0.381 71.6 169.3 -58.3 146.4 41.9 -41.3 -31.6 62 61 A V B -E 74 0B 6 12,-0.3 2,-1.0 -2,-0.2 87,-0.4 -0.891 44.6-109.0-130.8 162.9 44.4 -43.9 -32.6 63 62 A D + 0 0 21 10,-2.5 9,-2.7 7,-0.4 10,-0.4 -0.842 42.2 167.4 -92.8 102.3 44.4 -46.9 -35.0 64 63 A N + 0 0 19 -2,-1.0 2,-0.7 7,-0.2 -1,-0.1 0.014 34.7 115.0-112.5 27.9 44.4 -49.8 -32.6 65 64 A D > - 0 0 67 1,-0.1 3,-2.4 82,-0.1 6,-0.2 -0.883 55.8-154.3 -97.3 107.2 43.6 -52.5 -35.1 66 65 A K T 3 S+ 0 0 159 -2,-0.7 -1,-0.1 1,-0.3 5,-0.1 0.712 93.6 54.8 -51.5 -25.8 46.6 -54.8 -35.1 67 66 A T T 3 S+ 0 0 125 3,-0.0 2,-0.3 -3,-0.0 -1,-0.3 0.219 88.4 102.0 -94.3 8.7 45.7 -55.8 -38.7 68 67 A S S X S- 0 0 37 -3,-2.4 3,-1.6 1,-0.1 -5,-0.0 -0.768 73.4-132.1-101.0 143.9 45.6 -52.3 -40.1 69 68 A Q T 3 S+ 0 0 210 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.837 110.8 47.0 -60.1 -29.3 48.4 -50.7 -42.1 70 69 A T T > S+ 0 0 53 -5,-0.0 3,-0.9 3,-0.0 -7,-0.4 0.124 81.9 149.2-100.8 20.7 48.2 -47.5 -40.0 71 70 A Y T < + 0 0 44 -3,-1.6 18,-0.2 1,-0.2 -7,-0.2 -0.241 64.0 24.4 -49.7 130.2 48.2 -49.5 -36.7 72 71 A G T 3 S+ 0 0 1 -9,-2.7 16,-2.4 1,-0.3 15,-0.4 0.810 97.1 112.7 80.0 27.8 50.0 -47.6 -33.9 73 72 A T S < S- 0 0 10 -3,-0.9 -10,-2.5 -10,-0.4 2,-0.5 -0.927 73.2-113.0-124.6 155.5 49.4 -44.1 -35.3 74 73 A I B -Ef 62 83B 1 8,-0.6 10,-2.8 11,-0.4 -12,-0.3 -0.804 29.3-165.9 -82.7 124.7 47.3 -41.3 -34.0 75 74 A T + 0 0 47 -14,-1.4 2,-0.3 -2,-0.5 -13,-0.2 0.677 67.6 23.7 -95.3 -20.8 44.5 -40.9 -36.6 76 75 A A + 0 0 18 -15,-1.1 -1,-0.3 6,-0.0 3,-0.0 -0.947 69.2 127.7-149.5 128.4 43.1 -37.5 -35.6 77 76 A T - 0 0 30 -2,-0.3 6,-0.3 -3,-0.1 4,-0.1 -0.885 46.7-141.1-170.7 143.6 44.6 -34.5 -33.7 78 77 A P S S+ 0 0 137 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.421 72.3 113.1 -80.2 -4.6 45.0 -30.8 -34.1 79 78 A K S >> S- 0 0 86 1,-0.1 3,-1.6 2,-0.0 4,-0.6 -0.615 81.9-102.2 -77.8 125.0 48.5 -31.1 -32.6 80 79 A A T 34 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 -0.077 95.3 -0.6 -52.5 128.6 51.2 -30.3 -35.2 81 80 A G T 34 S+ 0 0 39 -47,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.082 103.2 96.2 86.7 -20.6 52.9 -33.3 -36.6 82 81 A W T X4 + 0 0 2 -3,-1.6 3,-1.8 2,-0.1 -8,-0.6 0.853 52.9 97.7 -80.3 -32.7 51.2 -36.1 -34.7 83 82 A R B 3< S-f 74 0B 156 -4,-0.6 -8,-0.2 1,-0.3 -2,-0.1 -0.358 106.3 -5.8 -58.5 121.5 48.5 -37.2 -37.1 84 83 A H T 3 S+ 0 0 123 -10,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.436 90.6 148.8 74.0 2.3 49.7 -40.2 -39.0 85 84 A Y < - 0 0 29 -3,-1.8 2,-1.9 -11,-0.2 -11,-0.4 -0.479 59.3-116.4 -63.4 136.0 53.2 -40.1 -37.5 86 85 A P > + 0 0 63 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.520 55.2 157.2 -80.3 72.8 54.5 -43.7 -37.3 87 86 A F H > + 0 0 1 -2,-1.9 4,-2.2 -15,-0.4 5,-0.2 0.973 68.0 39.3 -68.1 -61.5 54.7 -43.6 -33.6 88 87 A L H > S+ 0 0 2 -16,-2.4 4,-2.6 -3,-0.2 -1,-0.2 0.912 119.0 48.7 -56.0 -47.6 54.6 -47.4 -32.7 89 88 A Q H > S+ 0 0 95 -17,-0.3 4,-2.9 -18,-0.2 -1,-0.2 0.875 108.2 52.2 -66.4 -42.8 56.8 -48.3 -35.7 90 89 A T H X S+ 0 0 31 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.920 113.3 45.9 -60.0 -37.1 59.5 -45.7 -34.9 91 90 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 5,-0.4 0.941 113.4 48.3 -71.7 -41.0 59.7 -47.0 -31.4 92 91 A K H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.928 112.3 50.8 -61.9 -42.7 59.8 -50.6 -32.5 93 92 A N H < S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.9 39.8 -64.0 -37.4 62.5 -49.8 -35.1 94 93 A E H < S+ 0 0 108 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.845 123.6 35.0 -84.1 -34.1 64.7 -48.0 -32.6 95 94 A X H < S- 0 0 39 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.705 86.1-150.1 -94.7 -31.0 64.4 -50.2 -29.5 96 95 A K < + 0 0 171 -4,-2.1 -3,-0.1 -5,-0.4 -4,-0.1 0.839 60.3 102.4 63.3 37.6 64.1 -53.6 -31.3 97 96 A I S S- 0 0 39 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.933 85.2 -72.4-137.7 161.5 62.0 -55.2 -28.7 98 97 A P - 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0 0 138 -2,-0.3 3,-1.3 1,-0.1 4,-0.2 -0.468 39.2-119.2 -72.5 144.7 40.9 -22.2 -13.7 193 192 A A G > S+ 0 0 15 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.902 112.1 56.3 -48.7 -56.1 39.2 -25.4 -12.4 194 193 A A G 3 S+ 0 0 76 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.761 108.1 53.0 -50.8 -24.0 41.6 -25.8 -9.3 195 194 A D G < S+ 0 0 116 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.403 94.9 65.7 -92.2 -3.2 40.4 -22.2 -8.4 196 195 A L X + 0 0 6 -3,-2.6 3,-2.5 -4,-0.2 6,-0.2 0.326 66.8 123.7 -97.9 7.5 36.6 -22.9 -8.5 197 196 A S T 3 S+ 0 0 47 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.699 73.5 38.6 -35.0 -43.2 37.1 -25.2 -5.6 198 197 A D T 3 S+ 0 0 155 -3,-0.3 2,-1.1 1,-0.1 -1,-0.3 0.393 85.8 97.1-104.9 3.9 34.6 -23.4 -3.4 199 198 A I X> - 0 0 80 -3,-2.5 3,-1.4 1,-0.2 4,-0.7 -0.784 56.7-165.2 -94.7 95.1 31.8 -22.5 -5.8 200 199 A A H >> S+ 0 0 46 -2,-1.1 4,-1.9 1,-0.3 3,-1.0 0.809 80.1 67.4 -51.4 -35.7 29.4 -25.4 -5.2 201 200 A Q H 3> S+ 0 0 125 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.810 94.4 56.3 -60.2 -38.1 27.5 -24.6 -8.4 202 201 A V H <> S+ 0 0 2 -3,-1.4 4,-2.2 -6,-0.2 -1,-0.3 0.835 110.7 44.5 -59.8 -36.5 30.4 -25.6 -10.7 203 202 A W H S+ 0 0 11 -4,-2.1 4,-3.0 2,-0.2 5,-1.6 0.887 112.5 49.7 -65.8 -37.1 27.5 -46.3 -20.0 218 217 A I H <5S+ 0 0 5 -4,-3.0 -2,-0.2 1,-0.2 4,-0.2 0.932 112.9 46.2 -65.8 -45.0 25.6 -48.3 -17.4 219 218 A L H <5S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.770 123.0 35.3 -65.4 -29.3 22.7 -48.9 -19.7 220 219 A I H <5S+ 0 0 139 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.889 138.8 9.5 -97.0 -49.6 24.9 -49.8 -22.7 221 220 A L T <5S- 0 0 56 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.716 76.9-153.8 -98.8 -33.3 27.9 -51.7 -21.2 222 221 A A < - 0 0 60 -5,-1.6 -4,-0.2 -4,-0.2 -3,-0.1 0.973 20.5-159.3 54.0 59.4 26.9 -52.2 -17.6 223 222 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.413 21.7-130.2 -70.3 148.8 30.4 -52.4 -16.2 224 223 A X S S+ 0 0 137 1,-0.2 2,-0.3 -106,-0.0 -100,-0.1 0.540 92.7 14.3 -75.5 -8.2 31.0 -54.1 -12.8 225 224 A X - 0 0 51 2,-0.0 -100,-1.8 43,-0.0 2,-0.4 -0.935 65.3-153.2-163.1 141.8 33.0 -51.1 -11.6 226 225 A I E -hj 125 267C 0 40,-3.0 42,-2.2 -2,-0.3 2,-0.5 -0.986 11.4-165.6-123.0 121.0 33.5 -47.5 -12.8 227 226 A I E -hj 126 268C 0 -102,-2.8 -100,-3.2 -2,-0.4 2,-0.5 -0.933 3.9-159.2-112.3 126.4 36.8 -45.7 -12.0 228 227 A L E +h 127 0C 1 40,-2.3 -100,-0.2 -2,-0.5 2,-0.2 -0.938 23.3 153.8-111.3 119.9 37.0 -41.9 -12.5 229 228 A G E +h 128 0C 2 -102,-2.9 -100,-2.5 -2,-0.5 4,-0.3 -0.543 14.5 86.8-128.5-170.2 40.3 -40.2 -12.8 230 229 A G S S- 0 0 20 -102,-0.3 3,-0.4 -2,-0.2 4,-0.3 -0.131 84.3 -60.2 94.0 170.4 42.0 -37.1 -14.3 231 230 A G S > S+ 0 0 55 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.836 128.4 52.8 -58.6 -40.0 42.6 -33.6 -13.2 232 231 A V G > S+ 0 0 6 -103,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.906 100.6 63.3 -68.6 -34.6 39.0 -32.6 -12.7 233 232 A X G 3 S+ 0 0 3 -104,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.503 77.4 84.6 -76.9 1.4 38.3 -35.5 -10.5 234 233 A Q G < S+ 0 0 110 -3,-1.3 2,-1.8 -4,-0.3 -1,-0.3 0.742 71.7 82.6 -65.7 -24.1 40.8 -34.2 -8.0 235 234 A Q S X S- 0 0 27 -3,-2.2 3,-2.1 -4,-0.2 4,-0.3 -0.672 70.7-171.0 -75.4 88.0 37.8 -32.2 -6.8 236 235 A K T >> S+ 0 0 118 -2,-1.8 3,-1.0 1,-0.3 4,-0.6 0.632 72.2 78.5 -62.3 -13.4 36.5 -35.1 -4.8 237 236 A Q H 3> S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.759 79.0 71.4 -62.0 -30.6 33.2 -33.2 -4.1 238 237 A V H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.834 88.3 62.6 -56.9 -32.8 32.1 -34.2 -7.6 239 238 A F H <> S+ 0 0 13 -3,-1.0 4,-2.7 -4,-0.3 -1,-0.2 0.926 97.9 54.6 -60.8 -44.0 31.7 -37.8 -6.4 240 239 A S H X S+ 0 0 56 -4,-0.6 4,-1.3 -3,-0.4 -1,-0.2 0.894 109.9 47.0 -62.6 -36.1 29.0 -36.8 -3.9 241 240 A Y H X S+ 0 0 44 -4,-1.2 4,-2.4 2,-0.2 3,-0.4 0.935 109.9 52.1 -69.9 -43.2 26.9 -35.2 -6.7 242 241 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.940 107.2 54.1 -54.0 -49.0 27.4 -38.1 -9.1 243 242 A Y H < S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 111.8 45.1 -54.8 -36.2 26.1 -40.4 -6.3 244 243 A Q H X S+ 0 0 98 -4,-1.3 4,-0.7 -3,-0.4 -1,-0.2 0.859 117.7 42.6 -73.1 -39.3 23.0 -38.3 -5.9 245 244 A Y H X S+ 0 0 47 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.859 99.3 65.2 -84.9 -35.7 22.2 -37.9 -9.6 246 245 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.947 105.9 45.5 -54.9 -49.2 22.8 -41.4 -11.1 247 246 A P H >>S+ 0 0 39 0, 0.0 4,-1.7 0, 0.0 5,-0.6 0.842 111.4 52.0 -65.2 -32.7 20.0 -43.0 -9.2 248 247 A K H <5S+ 0 0 141 -4,-0.7 -2,-0.2 2,-0.2 -3,-0.1 0.886 112.5 46.9 -67.3 -41.0 17.6 -40.1 -10.0 249 248 A I H <5S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.916 116.1 42.4 -66.2 -44.2 18.4 -40.5 -13.7 250 249 A X H ><5S- 0 0 20 -4,-2.4 3,-1.4 -5,-0.2 -1,-0.2 0.770 91.9-157.2 -74.9 -28.3 18.0 -44.3 -13.8 251 250 A N T 3<5 - 0 0 129 -4,-1.7 -3,-0.1 -5,-0.3 -2,-0.1 0.828 62.5 -58.2 50.5 47.1 14.9 -44.0 -11.6 252 251 A S T 3 - 0 0 117 -2,-1.4 3,-1.4 1,-0.1 4,-0.3 -0.994 60.6-132.1-134.4 142.2 21.4 -53.6 -8.4 257 256 A S G > >S+ 0 0 50 -2,-0.4 5,-2.3 1,-0.3 3,-1.5 0.816 105.6 68.7 -66.3 -24.5 22.9 -52.3 -5.1 258 257 A E G 3 5S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.1 8,-0.2 0.773 102.5 46.0 -58.9 -29.6 25.8 -50.9 -7.2 259 258 A L G < 5S+ 0 0 15 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.425 129.1 12.5 -98.2 0.8 23.4 -48.4 -8.6 260 259 A S T X 5S+ 0 0 54 -3,-1.5 3,-1.3 -4,-0.3 4,-0.2 0.286 127.9 14.8-135.6 -91.3 21.7 -47.4 -5.3 261 260 A D T 3 5S+ 0 0 139 1,-0.3 3,-0.3 2,-0.1 -3,-0.1 0.841 133.0 37.5 -68.9 -36.4 22.8 -48.1 -1.7 262 261 A D T > + 0 0 11 -3,-1.3 4,-2.0 1,-0.3 3,-1.5 0.784 65.8 67.7 -61.8 -28.8 26.9 -46.7 -5.3 264 263 A S G 34 S+ 0 0 66 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.649 104.0 43.9 -69.1 -11.2 29.8 -45.2 -3.4 265 264 A D G <4 S+ 0 0 93 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.361 111.1 54.6-107.9 6.8 31.7 -48.5 -4.0 266 265 A Y T <4 S+ 0 0 10 -3,-1.5 -40,-3.0 1,-0.3 2,-0.6 0.822 110.8 40.5-102.2 -47.8 30.7 -48.8 -7.7 267 266 A I E < S+j 226 0C 0 -4,-2.0 -1,-0.3 -42,-0.2 -40,-0.2 -0.940 86.4 151.7-108.8 110.6 31.9 -45.4 -9.0 268 267 A V E -j 227 0C 10 -42,-2.2 -40,-2.3 -2,-0.6 -3,-0.1 -0.876 48.4 -98.4-140.1 158.1 35.2 -44.7 -7.3 269 268 A P - 0 0 48 0, 0.0 -40,-0.2 0, 0.0 2,-0.1 -0.454 59.1 -84.8 -75.4 161.0 38.5 -42.9 -7.7 270 269 A P > - 0 0 19 0, 0.0 3,-1.2 0, 0.0 5,-0.1 -0.437 24.1-141.5 -72.2 141.4 41.4 -45.0 -8.9 271 270 A R T 3 S+ 0 0 187 1,-0.3 3,-0.1 -2,-0.1 -155,-0.1 0.836 104.8 56.3 -66.1 -35.5 43.4 -47.0 -6.3 272 271 A L T > S- 0 0 37 1,-0.3 3,-2.2 2,-0.0 -1,-0.3 0.298 98.3-150.9 -79.9 10.1 46.6 -46.2 -8.2 273 272 A G G X - 0 0 34 -3,-1.2 3,-0.9 1,-0.3 -1,-0.3 -0.257 68.3 -14.8 55.8-133.2 45.8 -42.5 -7.9 274 273 A S G 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 4,-0.3 0.412 129.5 72.1 -87.3 13.2 47.2 -40.6 -10.9 275 274 A N G <> + 0 0 50 -3,-2.2 4,-2.5 1,-0.2 5,-0.4 0.331 59.6 103.6-107.7 8.8 49.5 -43.4 -11.9 276 275 A A H <> S+ 0 0 0 -3,-0.9 4,-2.8 1,-0.2 5,-0.2 0.949 84.1 47.5 -55.1 -50.4 46.9 -45.8 -13.3 277 276 A G H > S+ 0 0 4 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.929 113.9 43.7 -61.3 -44.5 47.9 -45.0 -16.9 278 277 A I H >> S+ 0 0 1 -4,-0.3 4,-1.2 2,-0.2 3,-0.6 0.964 115.4 49.3 -70.3 -41.9 51.7 -45.3 -16.6 279 278 A I H >X S+ 0 0 14 -4,-2.5 4,-1.0 1,-0.3 3,-0.8 0.911 109.0 54.6 -59.2 -41.4 51.4 -48.5 -14.5 280 279 A G H 3X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.4 -1,-0.3 0.809 97.9 61.5 -65.0 -27.6 49.0 -49.8 -17.2 281 280 A T H