==== 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 17-AUG-10 3OHR . COMPND 2 MOLECULE: PUTATIVE FRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.NOCEK,L.VOLKART,M.CUFF,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 70.1 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 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 72 0, 0.0 2,-0.4 0, 0.0 19,-0.4 0.000 360.0 360.0 360.0 136.1 61.8 -58.4 -16.7 2 1 A X - 0 0 42 48,-0.4 50,-2.7 17,-0.1 51,-0.5 -0.874 360.0-162.9 -97.2 138.5 62.0 -54.6 -16.7 3 2 A L E -Ab 18 53A 1 15,-2.7 15,-2.8 -2,-0.4 2,-0.3 -0.868 9.1-138.6-121.1 147.5 59.3 -53.0 -18.8 4 3 A G E -Ab 17 54A 0 49,-2.5 51,-2.0 -2,-0.3 2,-0.4 -0.856 14.1-163.4-107.2 145.5 59.0 -49.5 -20.3 5 4 A G E -Ab 16 55A 0 11,-2.7 11,-2.5 -2,-0.3 2,-0.4 -0.988 6.5-167.6-129.6 141.7 55.9 -47.4 -20.4 6 5 A I E -Ab 15 56A 0 49,-2.5 51,-3.0 -2,-0.4 2,-0.8 -0.982 1.9-170.6-129.0 112.0 55.1 -44.3 -22.5 7 6 A E E -Ab 14 57A 50 7,-3.1 7,-2.3 -2,-0.4 2,-0.7 -0.916 17.8-160.8-101.8 102.0 52.0 -42.3 -21.5 8 7 A A E +Ab 13 58A 0 49,-2.1 51,-1.6 -2,-0.8 2,-0.3 -0.757 15.0 174.6 -91.4 113.6 51.8 -39.9 -24.5 9 8 A G - 0 0 16 3,-1.5 49,-0.0 -2,-0.7 -2,-0.0 -0.758 44.0-112.7-115.6 167.1 49.7 -36.8 -23.9 10 9 A G S S+ 0 0 22 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.804 117.1 26.8 -65.8 -31.4 48.9 -33.7 -25.8 11 10 A T S S+ 0 0 106 1,-0.3 21,-2.3 20,-0.1 2,-0.3 0.787 129.8 10.4-101.3 -42.7 50.9 -31.5 -23.3 12 11 A X E - C 0 31A 130 19,-0.3 -3,-1.5 2,-0.0 2,-0.4 -0.982 57.8-135.8-137.3 159.9 53.5 -33.9 -21.8 13 12 A F E -AC 8 30A 0 17,-3.2 17,-2.1 -2,-0.3 2,-0.5 -0.897 15.8-162.0-105.9 141.7 55.0 -37.3 -22.2 14 13 A V E -AC 7 29A 6 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.990 8.7-173.0-118.9 126.5 55.6 -39.5 -19.2 15 14 A C E +AC 6 28A 0 13,-2.8 13,-2.6 -2,-0.5 2,-0.3 -0.946 8.2 176.0-119.2 144.6 58.0 -42.3 -19.5 16 15 A A E -AC 5 27A 1 -11,-2.5 -11,-2.7 -2,-0.4 2,-0.4 -0.982 26.2-144.8-144.0 156.3 58.6 -45.0 -16.9 17 16 A V E +AC 4 26A 0 9,-2.4 8,-2.7 -2,-0.3 9,-1.7 -0.964 42.5 130.5-118.3 140.6 60.4 -48.2 -16.2 18 17 A G E -AC 3 24A 0 -15,-2.8 -15,-2.7 -2,-0.4 2,-0.3 -0.876 45.4 -87.1-165.9-165.5 58.7 -50.8 -14.1 19 18 A R > - 0 0 113 4,-1.8 3,-2.4 -2,-0.3 -17,-0.1 -0.777 40.4 -99.8-127.0 166.8 57.7 -54.4 -13.5 20 19 A E T 3 S+ 0 0 112 -19,-0.4 -18,-0.1 1,-0.3 266,-0.1 0.751 117.6 63.3 -63.2 -23.4 54.8 -56.6 -14.5 21 20 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.0 262,-0.0 0.355 122.5-102.0 -81.8 6.3 53.2 -56.2 -11.0 22 21 A G S < S+ 0 0 10 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.399 70.5 150.7 92.1 2.9 52.8 -52.4 -11.7 23 22 A T - 0 0 68 1,-0.1 -4,-1.8 259,-0.0 2,-0.6 -0.500 40.9-139.8 -67.9 125.7 55.8 -51.3 -9.6 24 23 A I E +C 18 0A 51 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.841 22.7 178.3 -89.0 118.3 57.3 -48.0 -10.9 25 24 A I E - 0 0 69 -8,-2.7 2,-0.3 -2,-0.6 -7,-0.2 0.867 66.0 -14.9 -84.1 -46.4 61.1 -48.2 -10.8 26 25 A D E -C 17 0A 67 -9,-1.7 -9,-2.4 2,-0.0 -1,-0.4 -0.973 62.9-169.6-156.1 157.9 61.9 -44.8 -12.3 27 26 A R E -C 16 0A 88 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.993 7.0-175.3-154.4 160.7 60.2 -42.1 -14.3 28 27 A I E -C 15 0A 72 -13,-2.6 -13,-2.8 -2,-0.3 2,-0.3 -0.962 7.3-162.3-145.5 156.1 60.7 -39.0 -16.3 29 28 A E E +C 14 0A 81 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.990 10.9 168.6-140.3 157.9 58.5 -36.4 -18.0 30 29 A F E -C 13 0A 16 -17,-2.1 -17,-3.2 -2,-0.3 -2,-0.0 -0.984 41.4 -80.1-159.3 158.1 58.9 -33.8 -20.6 31 30 A P E -C 12 0A 60 0, 0.0 2,-0.5 0, 0.0 -19,-0.3 -0.303 43.6-113.1 -64.6 145.3 56.8 -31.5 -22.8 32 31 A T + 0 0 2 -21,-2.3 2,-0.1 1,-0.1 -24,-0.0 -0.693 51.3 152.3 -74.4 124.7 55.2 -32.8 -25.9 33 32 A X - 0 0 150 -2,-0.5 -1,-0.1 1,-0.4 -21,-0.0 -0.061 56.7 -24.7-126.1-141.3 56.7 -31.1 -29.0 34 33 A X > - 0 0 109 -2,-0.1 4,-2.1 1,-0.1 -1,-0.4 -0.444 69.2-114.0 -72.7 157.4 57.1 -32.4 -32.6 35 34 A P H > S+ 0 0 7 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.903 108.9 53.4 -63.1 -44.7 57.1 -36.2 -32.8 36 35 A D H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.957 116.2 39.9 -56.5 -50.5 60.6 -36.8 -34.0 37 36 A E H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 116.5 50.7 -67.2 -32.0 62.2 -34.8 -31.2 38 37 A T H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.929 112.2 45.0 -72.0 -46.2 59.8 -36.0 -28.6 39 38 A I H X S+ 0 0 5 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.848 106.6 60.6 -65.9 -35.5 60.3 -39.7 -29.4 40 39 A E H X S+ 0 0 83 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.921 103.9 51.5 -61.4 -36.1 64.1 -39.1 -29.5 41 40 A X H X S+ 0 0 144 -4,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.856 108.2 51.8 -64.7 -40.3 63.8 -38.1 -25.9 42 41 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.918 111.1 46.5 -54.8 -49.9 61.9 -41.3 -25.2 43 42 A I H X S+ 0 0 15 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.915 111.5 51.2 -63.3 -41.2 64.6 -43.4 -26.8 44 43 A Q H < S+ 0 0 111 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.897 110.0 49.8 -62.9 -41.4 67.3 -41.6 -24.9 45 44 A Y H >< S+ 0 0 21 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.951 113.3 45.2 -62.2 -47.5 65.6 -42.1 -21.6 46 45 A F H >< S+ 0 0 1 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.716 92.8 82.9 -70.1 -18.3 65.1 -45.8 -22.2 47 46 A S T 3< S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.719 83.9 60.8 -58.2 -24.9 68.7 -46.2 -23.4 48 47 A Q T < S+ 0 0 144 -3,-1.1 -1,-0.3 -4,-0.4 2,-0.2 0.709 102.4 63.2 -68.8 -26.4 69.9 -46.4 -19.8 49 48 A F S < S- 0 0 35 -3,-2.1 2,-0.8 -4,-0.2 -45,-0.0 -0.652 76.7-130.0-111.8 158.3 67.9 -49.5 -19.2 50 49 A S - 0 0 87 -2,-0.2 -48,-0.4 -47,-0.0 2,-0.3 -0.886 40.5-174.2-106.9 96.8 67.7 -53.1 -20.4 51 50 A L - 0 0 14 -2,-0.8 -48,-0.2 -5,-0.2 3,-0.1 -0.692 29.4-161.8-102.5 145.8 64.0 -53.5 -21.3 52 51 A Q S S- 0 0 86 -50,-2.7 2,-0.3 1,-0.3 -49,-0.2 0.707 77.1 -10.5 -90.8 -24.8 62.1 -56.6 -22.4 53 52 A A E -b 3 0A 0 -51,-0.5 -49,-2.5 44,-0.2 -1,-0.3 -0.958 58.8-141.2-167.0 160.8 59.1 -54.7 -23.8 54 53 A I E -bd 4 99A 0 44,-2.3 46,-2.8 -2,-0.3 2,-0.4 -0.950 7.5-154.4-127.0 151.3 57.4 -51.3 -23.9 55 54 A G E -bd 5 100A 0 -51,-2.0 -49,-2.5 -2,-0.3 2,-0.5 -0.991 6.1-155.7-125.9 142.0 53.8 -50.2 -23.8 56 55 A I E -bd 6 101A 0 44,-2.2 46,-1.6 -2,-0.4 2,-0.6 -0.959 8.5-173.6-116.4 122.7 52.3 -47.0 -25.3 57 56 A G E -bd 7 102A 0 -51,-3.0 -49,-2.1 -2,-0.5 2,-0.3 -0.963 26.0-170.2-111.0 107.1 49.2 -45.3 -24.0 58 57 A S E -bd 8 103A 0 44,-2.8 46,-1.9 -2,-0.6 47,-0.3 -0.756 29.3-109.5-107.4 146.9 48.5 -42.5 -26.4 59 58 A F + 0 0 21 -51,-1.6 -50,-0.1 -2,-0.3 -1,-0.1 -0.372 67.4 62.4 -58.0 142.3 46.2 -39.5 -26.6 60 59 A G S S- 0 0 28 14,-0.1 2,-0.2 2,-0.1 14,-0.1 -0.676 91.3 -80.2-131.8-170.6 43.6 -40.3 -29.4 61 60 A P S S+ 0 0 39 0, 0.0 14,-1.9 0, 0.0 15,-1.3 0.263 73.4 169.4 -61.3 149.6 41.7 -40.9 -31.3 62 61 A V B -E 74 0B 6 12,-0.3 2,-0.9 -2,-0.2 87,-0.4 -0.871 45.0-106.8-129.7 165.1 44.2 -43.6 -32.5 63 62 A D + 0 0 20 10,-2.6 9,-2.7 7,-0.3 10,-0.5 -0.873 42.8 167.0 -93.9 102.9 44.1 -46.5 -34.8 64 63 A N + 0 0 15 -2,-0.9 2,-0.8 7,-0.2 -1,-0.1 0.060 35.6 114.9-107.0 22.3 44.0 -49.4 -32.3 65 64 A D > - 0 0 62 1,-0.1 3,-2.2 82,-0.1 6,-0.2 -0.844 54.6-156.3 -95.9 112.3 43.1 -52.1 -34.9 66 65 A X T 3 S+ 0 0 160 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.668 91.8 56.2 -62.8 -20.7 46.0 -54.4 -35.0 67 66 A T T 3 S+ 0 0 121 3,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.520 88.5 103.4 -85.9 -3.7 45.0 -55.6 -38.5 68 67 A S S X S- 0 0 34 -3,-2.2 3,-1.8 1,-0.1 -5,-0.0 -0.520 73.8-133.8 -86.0 141.7 45.0 -52.0 -39.9 69 68 A Q T 3 S+ 0 0 192 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.810 111.1 46.8 -56.6 -30.7 47.7 -50.5 -42.1 70 69 A T T > S+ 0 0 51 -5,-0.1 3,-0.8 3,-0.0 -7,-0.3 0.154 80.4 146.4-102.2 20.2 47.7 -47.5 -39.9 71 70 A Y T < + 0 0 36 -3,-1.8 18,-0.2 1,-0.2 -7,-0.2 -0.238 64.0 28.0 -54.0 140.4 47.7 -49.4 -36.6 72 71 A G T 3 S+ 0 0 1 -9,-2.7 16,-2.5 1,-0.3 2,-0.3 0.785 96.6 110.3 76.2 29.7 49.7 -47.5 -33.9 73 72 A T S < S- 0 0 8 -3,-0.8 -10,-2.6 -10,-0.5 2,-0.5 -0.933 73.0-112.0-126.9 157.0 49.1 -44.0 -35.2 74 73 A I B -Ef 62 83B 1 8,-0.6 10,-3.1 11,-0.4 -12,-0.3 -0.756 28.6-168.2 -84.5 127.9 47.1 -41.0 -33.9 75 74 A T + 0 0 45 -14,-1.9 2,-0.3 -2,-0.5 -13,-0.2 0.629 66.0 26.4 -98.9 -17.7 44.2 -40.5 -36.3 76 75 A A + 0 0 18 -15,-1.3 -1,-0.3 6,-0.0 3,-0.0 -0.918 69.7 126.7-149.8 124.3 42.8 -37.2 -35.2 77 76 A T - 0 0 29 -2,-0.3 6,-0.2 -3,-0.1 5,-0.0 -0.894 47.8-143.0-168.3 142.5 44.5 -34.3 -33.5 78 77 A P S S+ 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.439 71.3 113.1 -77.4 -8.1 45.0 -30.6 -33.9 79 78 A X S >> S- 0 0 95 1,-0.1 3,-1.6 2,-0.0 4,-0.6 -0.583 79.9-104.7 -74.1 129.3 48.6 -31.0 -32.5 80 79 A A T 34 S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.219 94.7 2.2 -58.0 132.3 51.2 -30.2 -35.1 81 80 A G T 34 S+ 0 0 51 -47,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.104 105.5 94.2 88.6 -16.5 53.0 -33.2 -36.6 82 81 A W T X4 + 0 0 1 -3,-1.6 3,-1.6 2,-0.1 -8,-0.6 0.839 51.8 94.2 -84.3 -36.4 51.1 -35.9 -34.7 83 82 A R B 3< S-f 74 0B 163 -4,-0.6 -8,-0.2 1,-0.3 -2,-0.1 -0.399 107.7 -2.6 -62.9 130.7 48.3 -37.1 -36.9 84 83 A H T 3 S+ 0 0 125 -10,-3.1 -1,-0.3 1,-0.2 -2,-0.1 0.374 90.6 147.3 67.9 2.4 49.4 -40.1 -39.0 85 84 A Y < - 0 0 35 -3,-1.6 2,-2.6 -11,-0.2 -11,-0.4 -0.429 61.1-115.5 -62.6 137.9 52.9 -40.1 -37.6 86 85 A P > + 0 0 64 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.352 55.6 158.3 -77.8 69.1 54.2 -43.7 -37.3 87 86 A F H > + 0 0 0 -2,-2.6 4,-2.1 -15,-0.3 5,-0.2 0.963 67.9 38.6 -62.9 -64.5 54.4 -43.5 -33.6 88 87 A L H > S+ 0 0 1 -16,-2.5 4,-3.0 -3,-0.3 -1,-0.2 0.924 117.8 50.3 -54.4 -45.4 54.3 -47.3 -32.7 89 88 A Q H > S+ 0 0 90 -17,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.889 107.8 52.7 -68.6 -35.9 56.5 -48.3 -35.6 90 89 A T H X S+ 0 0 26 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.928 111.8 45.8 -63.7 -43.7 59.2 -45.7 -34.8 91 90 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.960 113.6 49.2 -66.9 -38.4 59.4 -47.0 -31.2 92 91 A X H X S+ 0 0 96 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.887 112.2 49.2 -63.2 -42.4 59.4 -50.6 -32.4 93 92 A N H < S+ 0 0 91 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 116.9 40.5 -66.9 -34.9 62.2 -49.8 -35.0 94 93 A E H < S+ 0 0 90 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.843 123.2 37.0 -79.1 -38.9 64.4 -48.0 -32.4 95 94 A X H < S- 0 0 35 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.735 82.9-152.1 -92.7 -26.8 63.9 -50.3 -29.5 96 95 A X < + 0 0 184 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.828 61.9 96.7 58.4 35.3 63.8 -53.7 -31.2 97 96 A I S S- 0 0 40 -5,-0.2 -1,-0.2 -43,-0.0 -44,-0.2 -0.906 88.4 -65.2-141.6 166.6 61.6 -55.3 -28.6 98 97 A P - 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0 0 4 -87,-0.4 -4,-0.1 -2,-0.3 -13,-0.1 -0.438 68.1 -82.4 -63.0 156.9 38.2 -47.7 -29.5 150 149 A P - 0 0 22 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.246 33.5-166.5 -61.8 152.1 35.4 -45.8 -27.5 151 150 A E > + 0 0 66 -17,-0.1 3,-1.6 -3,-0.1 -15,-0.1 -0.517 25.0 159.4-132.7 62.4 35.1 -42.0 -27.7 152 151 A X G > + 0 0 17 1,-0.3 3,-0.9 -17,-0.3 -18,-0.1 0.628 59.1 73.4 -71.5 -12.5 32.7 -41.7 -24.8 153 152 A G G 3 S+ 0 0 0 -20,-0.4 24,-2.8 1,-0.2 -1,-0.3 0.653 90.3 60.0 -70.6 -14.6 33.5 -38.1 -24.1 154 153 A H G < + 0 0 42 -3,-1.6 -1,-0.2 22,-0.2 -2,-0.1 0.254 69.7 123.3-106.2 11.9 31.7 -37.0 -27.2 155 154 A I < - 0 0 52 -3,-0.9 21,-2.9 20,-0.1 2,-1.0 -0.448 66.1-118.7 -68.5 145.7 28.2 -38.2 -26.5 156 155 A Y + 0 0 144 19,-0.2 19,-0.1 -2,-0.1 -1,-0.1 -0.694 37.8 179.1 -93.1 97.1 25.5 -35.5 -26.6 157 156 A I - 0 0 15 -2,-1.0 2,-0.4 17,-0.2 52,-0.1 -0.183 41.5 -77.7 -87.3 172.6 23.8 -35.3 -23.0 158 157 A R - 0 0 200 51,-0.1 -1,-0.1 1,-0.1 54,-0.1 -0.624 43.4-124.1 -81.6 131.8 21.1 -32.9 -22.2 159 158 A R - 0 0 80 -2,-0.4 -1,-0.1 1,-0.1 5,-0.0 -0.409 28.5-109.8 -63.3 146.3 22.0 -29.3 -21.6 160 159 A H > - 0 0 54 1,-0.1 3,-1.8 -2,-0.1 -1,-0.1 -0.633 28.4-125.7 -70.4 136.8 20.9 -27.9 -18.2 161 160 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.760 108.1 47.6 -65.3 -20.1 18.2 -25.4 -19.1 162 161 A D T 3 S+ 0 0 136 2,-0.0 2,-0.5 0, 0.0 -2,-0.0 0.482 87.5 101.3 -91.1 -3.2 20.0 -22.6 -17.2 163 162 A D < + 0 0 16 -3,-1.8 -4,-0.0 1,-0.1 25,-0.0 -0.704 44.6 179.7 -87.4 123.8 23.4 -23.2 -18.7 164 163 A V + 0 0 132 -2,-0.5 -1,-0.1 24,-0.1 2,-0.1 0.470 37.8 122.5-101.8 -4.1 24.1 -20.7 -21.4 165 164 A Y - 0 0 19 1,-0.1 3,-0.1 14,-0.1 23,-0.1 -0.394 54.1-148.3 -71.4 133.8 27.6 -21.9 -22.4 166 165 A Q - 0 0 142 1,-0.1 -1,-0.1 -2,-0.1 13,-0.1 0.696 48.5-103.1 -75.4 -25.4 27.8 -22.9 -26.1 167 166 A G - 0 0 13 17,-0.1 7,-0.2 7,-0.1 12,-0.2 0.082 10.2-119.8 109.2 146.1 30.4 -25.6 -25.5 168 167 A X S S+ 0 0 150 10,-2.0 6,-0.1 7,-0.2 10,-0.1 0.608 72.0 109.0 -89.3 -20.6 34.1 -26.1 -25.9 169 168 A C B > -K 173 0D 6 4,-1.8 4,-1.9 6,-0.2 6,-0.1 -0.458 55.2-153.6 -72.9 124.5 34.3 -29.1 -28.3 170 169 A P T 4 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.754 94.7 41.6 -65.0 -26.2 35.5 -28.1 -31.8 171 170 A Y T 4 S+ 0 0 174 2,-0.1 -2,-0.1 1,-0.0 -17,-0.0 0.893 135.3 8.4 -84.7 -44.1 33.6 -30.9 -33.4 172 171 A H T 4 S- 0 0 63 1,-0.2 2,-1.5 3,-0.0 -3,-0.0 0.527 77.3-147.9-118.1 -12.7 30.3 -30.9 -31.6 173 172 A G B < S+K 169 0D 21 -4,-1.9 -4,-1.8 1,-0.2 -1,-0.2 -0.602 87.4 28.6 73.3 -88.6 30.1 -27.8 -29.4 174 173 A D S S+ 0 0 44 -2,-1.5 -1,-0.2 -7,-0.2 -17,-0.2 -0.174 81.4 131.0-107.5 44.6 28.1 -29.1 -26.5 175 174 A C S > S- 0 0 0 -19,-0.1 4,-1.7 1,-0.1 -19,-0.2 -0.243 82.0 -83.5 -72.1 175.8 28.8 -32.8 -26.3 176 175 A F H >> S+ 0 0 1 -21,-2.9 4,-2.4 1,-0.2 3,-0.5 0.937 135.5 45.6 -51.1 -51.9 29.7 -34.1 -22.8 177 176 A E H 3> S+ 0 0 36 -24,-2.8 4,-1.9 1,-0.2 7,-0.3 0.932 110.5 55.0 -56.3 -43.5 33.4 -33.0 -23.3 178 177 A G H 34 S+ 0 0 0 -25,-0.2 -10,-2.0 1,-0.2 -1,-0.2 0.770 118.5 33.6 -62.0 -28.6 32.2 -29.7 -24.6 179 178 A L H << S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.706 130.0 27.5 -95.9 -25.1 30.1 -29.1 -21.5 180 179 A A H < S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.320 82.6 110.6-131.9 4.6 32.2 -30.7 -18.8 181 180 A S S X S- 0 0 2 -4,-1.9 4,-2.0 -5,-0.2 -50,-0.2 -0.361 80.6-101.8 -73.0 165.8 35.9 -30.8 -19.5 182 181 A G H > S+ 0 0 14 -52,-2.8 4,-2.1 1,-0.2 11,-0.3 0.902 124.0 48.4 -47.9 -53.3 38.3 -28.7 -17.5 183 182 A P H > S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.813 108.7 54.1 -63.5 -30.4 38.5 -26.1 -20.3 184 183 A A H > S+ 0 0 0 -7,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.889 107.9 50.0 -67.9 -40.4 34.7 -26.0 -20.6 185 184 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 6,-0.3 0.927 113.4 46.6 -60.2 -49.1 34.4 -25.2 -16.9 186 185 A E H X S+ 0 0 98 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.897 113.6 47.0 -60.7 -45.7 37.0 -22.4 -17.3 187 186 A A H < S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.3 47.2 -67.9 -37.7 35.4 -20.9 -20.4 188 187 A R H < S+ 0 0 38 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.6 27.0 -65.4 -48.5 32.0 -21.0 -18.9 189 188 A W H < S- 0 0 79 -4,-2.3 -2,-0.2 2,-0.3 -3,-0.2 0.600 102.0-120.5-101.0 -14.3 32.8 -19.5 -15.5 190 189 A G S < S+ 0 0 62 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.1 0.491 82.1 71.6 89.4 5.7 35.8 -17.4 -16.3 191 190 A X S S- 0 0 140 -6,-0.3 -2,-0.3 -5,-0.2 -1,-0.2 -0.960 91.6 -84.5-139.8 161.6 38.4 -19.0 -14.0 192 191 A K > - 0 0 114 -2,-0.3 3,-1.3 1,-0.1 4,-0.2 -0.312 43.7-112.5 -68.3 151.1 40.2 -22.2 -14.0 193 192 A A G > S+ 0 0 15 1,-0.3 3,-2.0 -11,-0.3 -1,-0.1 0.854 114.7 57.1 -58.6 -42.2 38.4 -25.1 -12.4 194 193 A A G > S+ 0 0 60 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.830 104.8 54.9 -56.9 -31.6 40.7 -25.4 -9.3 195 194 A D G < S+ 0 0 91 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.372 102.0 58.2 -84.4 1.7 40.0 -21.7 -8.5 196 195 A L G X + 0 0 6 -3,-2.0 3,-2.2 -4,-0.2 -1,-0.2 0.181 67.3 116.8-110.0 12.0 36.2 -22.3 -8.5 197 196 A S T < S+ 0 0 46 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.730 75.2 50.5 -55.6 -26.2 36.4 -25.0 -5.7 198 197 A D T 3 S+ 0 0 161 -3,-0.2 2,-0.9 1,-0.1 -1,-0.3 0.369 87.7 91.3 -95.3 4.1 34.3 -22.8 -3.3 199 198 A I X> - 0 0 66 -3,-2.2 3,-1.3 1,-0.2 4,-0.8 -0.840 60.3-165.9-103.6 99.5 31.5 -22.1 -5.9 200 199 A A H >> S+ 0 0 49 -2,-0.9 4,-2.2 1,-0.3 3,-0.6 0.836 80.6 61.6 -57.9 -38.8 29.0 -24.9 -5.3 201 200 A Q H 3> S+ 0 0 113 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.787 96.7 60.9 -64.4 -24.2 26.9 -24.3 -8.5 202 201 A V H <> S+ 0 0 2 -3,-1.3 4,-2.1 -6,-0.2 -1,-0.3 0.922 111.3 38.9 -62.0 -46.0 30.0 -25.1 -10.6 203 202 A W H S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 5,-1.5 0.891 111.2 52.0 -63.6 -38.8 27.2 -45.8 -20.0 218 217 A I H <5S+ 0 0 3 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.930 112.6 45.2 -61.8 -44.7 25.4 -47.8 -17.3 219 218 A L H <5S+ 0 0 90 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.781 123.1 34.7 -68.9 -28.5 22.4 -48.5 -19.7 220 219 A I H <5S+ 0 0 134 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.907 138.3 11.4 -95.5 -49.8 24.6 -49.4 -22.7 221 220 A L T <5S- 0 0 63 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.771 77.1-154.9-100.8 -33.1 27.7 -51.1 -21.2 222 221 A A < - 0 0 59 -5,-1.5 -4,-0.2 -4,-0.1 -3,-0.1 0.944 19.8-161.8 51.2 60.1 26.6 -51.8 -17.6 223 222 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.290 22.3-130.9 -69.3 158.5 30.2 -51.9 -16.3 224 223 A X S S+ 0 0 133 1,-0.2 2,-0.3 -106,-0.0 -100,-0.2 0.561 91.5 17.3 -89.5 -3.1 30.7 -53.6 -12.8 225 224 A X - 0 0 41 2,-0.0 -100,-1.6 -107,-0.0 2,-0.5 -0.937 66.0-152.4-163.1 141.0 32.8 -50.5 -11.5 226 225 A I E -hj 125 267C 0 40,-3.3 42,-2.7 -2,-0.3 2,-0.5 -0.992 11.6-165.5-122.3 122.2 33.2 -47.0 -12.7 227 226 A I E -hj 126 268C 0 -102,-3.2 -100,-2.9 -2,-0.5 2,-0.5 -0.920 2.7-162.0-113.5 124.4 36.5 -45.2 -12.0 228 227 A L E +h 127 0C 1 40,-2.4 -100,-0.2 -2,-0.5 2,-0.2 -0.956 22.9 151.4-117.0 115.1 36.6 -41.4 -12.4 229 228 A G E +h 128 0C 1 -102,-2.9 -100,-2.3 -2,-0.5 4,-0.3 -0.556 13.8 91.1-126.1-171.9 40.0 -39.7 -12.7 230 229 A G S S- 0 0 17 -102,-0.3 3,-0.5 -2,-0.2 4,-0.3 -0.131 83.8 -63.0 103.8 165.8 41.6 -36.6 -14.3 231 230 A G S > S+ 0 0 54 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.854 129.5 52.8 -51.1 -46.6 42.3 -33.0 -13.1 232 231 A V G > S+ 0 0 6 -103,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.891 101.0 62.4 -65.6 -34.7 38.6 -32.0 -12.7 233 232 A X G 3 S+ 0 0 1 -104,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.486 78.8 82.8 -77.0 2.7 38.0 -35.1 -10.4 234 233 A Q G < S+ 0 0 102 -3,-1.6 2,-1.6 -4,-0.3 -1,-0.3 0.685 73.1 83.6 -67.9 -18.7 40.5 -33.8 -7.9 235 234 A Q S X S- 0 0 27 -3,-2.1 3,-2.2 -4,-0.2 4,-0.3 -0.687 70.1-174.0 -81.3 85.4 37.5 -31.7 -6.9 236 235 A X T >> S+ 0 0 135 -2,-1.6 3,-1.2 1,-0.3 4,-0.6 0.698 70.2 76.0 -64.3 -19.3 36.2 -34.6 -4.8 237 236 A Q H 3> S+ 0 0 58 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.678 79.8 74.4 -62.8 -19.2 33.0 -32.8 -4.0 238 237 A V H <> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.872 85.5 63.3 -63.8 -35.4 31.8 -33.7 -7.5 239 238 A F H <> S+ 0 0 12 -3,-1.2 4,-2.5 -4,-0.3 -1,-0.2 0.900 97.0 55.7 -55.7 -44.2 31.3 -37.3 -6.4 240 239 A S H X S+ 0 0 56 -4,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.914 108.9 47.8 -62.7 -37.0 28.6 -36.4 -3.9 241 240 A Y H X S+ 0 0 42 -4,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.905 111.0 51.2 -65.1 -45.7 26.6 -34.7 -6.7 242 241 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.912 108.3 51.8 -56.0 -46.3 27.1 -37.7 -9.0 243 242 A Y H < S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.828 113.3 45.2 -63.5 -32.3 25.8 -40.0 -6.3 244 243 A Q H X S+ 0 0 96 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.874 118.0 42.2 -75.4 -40.5 22.7 -37.8 -5.8 245 244 A Y H X S+ 0 0 51 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.871 100.6 64.8 -80.8 -41.7 22.0 -37.4 -9.5 246 245 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.936 104.6 47.0 -50.4 -50.0 22.5 -40.9 -11.1 247 246 A P H >>S+ 0 0 39 0, 0.0 4,-1.8 0, 0.0 5,-0.6 0.871 110.7 53.1 -64.7 -31.3 19.7 -42.5 -9.2 248 247 A K H <5S+ 0 0 143 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.921 111.3 46.0 -65.3 -40.0 17.3 -39.6 -10.1 249 248 A I H <5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.904 116.1 43.6 -69.5 -41.1 18.1 -40.0 -13.8 250 249 A X H ><5S- 0 0 20 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.789 91.1-156.6 -75.6 -26.6 17.7 -43.8 -13.8 251 250 A N T 3<5 - 0 0 128 -4,-1.8 -3,-0.1 -5,-0.3 -2,-0.1 0.863 63.5 -56.9 50.4 49.2 14.6 -43.5 -11.6 252 251 A S T 3 - 0 0 116 -2,-1.4 3,-1.7 1,-0.1 4,-0.2 -0.991 61.4-133.2-140.8 139.6 21.1 -53.1 -8.3 257 256 A S G > >S+ 0 0 54 -2,-0.3 5,-2.4 1,-0.3 3,-1.6 0.816 105.1 68.4 -60.1 -32.4 22.7 -51.8 -5.1 258 257 A E G 3 5S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.1 8,-0.2 0.758 103.9 43.9 -53.0 -29.6 25.5 -50.4 -7.3 259 258 A L G < 5S+ 0 0 15 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.348 130.5 10.9-104.3 5.5 23.1 -47.9 -8.7 260 259 A S T X 5S+ 0 0 56 -3,-1.6 3,-1.6 -4,-0.2 4,-0.2 0.134 127.8 17.7-142.6 -98.6 21.3 -46.9 -5.4 261 260 A D T 3 5S+ 0 0 147 1,-0.3 3,-0.3 2,-0.1 -3,-0.1 0.791 133.7 34.4 -66.5 -30.4 22.3 -47.7 -1.8 262 261 A D T > + 0 0 11 -3,-1.6 4,-2.2 1,-0.3 3,-1.5 0.802 66.0 68.5 -62.5 -28.4 26.6 -46.2 -5.4 264 263 A S G 34 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.608 103.2 43.4 -70.1 -13.8 29.5 -44.7 -3.5 265 264 A D G <4 S+ 0 0 96 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.325 113.9 53.3-104.8 5.4 31.5 -48.0 -3.9 266 265 A Y T <4 S+ 0 0 8 -3,-1.5 -40,-3.3 -4,-0.4 2,-0.7 0.817 109.7 42.0-101.4 -46.6 30.5 -48.3 -7.6 267 266 A I E < S+j 226 0C 0 -4,-2.2 -1,-0.3 -42,-0.2 -40,-0.2 -0.952 87.6 152.6-104.9 108.3 31.5 -44.9 -8.9 268 267 A V E -j 227 0C 7 -42,-2.7 -40,-2.4 -2,-0.7 -3,-0.1 -0.898 47.9-100.5-138.2 160.1 34.9 -44.2 -7.3 269 268 A P - 0 0 43 0, 0.0 -40,-0.2 0, 0.0 2,-0.1 -0.449 59.8 -82.2 -74.2 160.8 38.3 -42.4 -7.7 270 269 A P > - 0 0 19 0, 0.0 3,-1.4 0, 0.0 5,-0.1 -0.418 24.1-143.8 -69.3 136.7 41.2 -44.6 -8.9 271 270 A R T 3 S+ 0 0 180 1,-0.3 3,-0.1 -2,-0.1 -155,-0.1 0.844 104.8 54.4 -62.2 -32.1 43.0 -46.6 -6.3 272 271 A L T > S- 0 0 37 1,-0.3 3,-2.0 2,-0.0 -1,-0.3 0.366 98.6-151.0 -85.3 7.5 46.2 -45.8 -8.2 273 272 A G G X - 0 0 35 -3,-1.4 3,-0.9 1,-0.3 -1,-0.3 -0.315 67.0 -16.7 60.4-134.2 45.6 -42.1 -8.0 274 273 A S G 3 S+ 0 0 105 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.405 130.6 72.6 -85.3 8.0 47.0 -40.2 -11.0 275 274 A N G <> + 0 0 52 -3,-2.0 4,-2.2 1,-0.2 5,-0.3 0.332 60.4 101.5-102.8 6.0 49.3 -43.1 -11.8 276 275 A A H <> S+ 0 0 0 -3,-0.9 4,-2.3 1,-0.2 -165,-0.2 0.917 83.8 49.2 -56.1 -44.7 46.7 -45.5 -13.3 277 276 A G H > S+ 0 0 4 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.949 112.3 44.1 -60.3 -52.3 47.7 -44.6 -16.9 278 277 A I H > S+ 0 0 0 -4,-0.3 4,-0.9 1,-0.2 3,-0.2 0.916 114.4 50.3 -66.7 -38.0 51.4 -45.1 -16.5 279 278 A I H >X S+ 0 0 14 -4,-2.2 4,-1.1 1,-0.2 3,-0.8 0.919 107.1 55.9 -61.9 -41.8 51.0 -48.3 -14.6 280 279 A G H 3X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.807 98.1 61.6 -57.6 -34.7 48.6 -49.5 -17.3 281 280 A T H 3X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.2 -1,-0.3 0.818 99.7 55.3 -63.7 -32.1 51.3 -48.9 -19.9 282 281 A L H