==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-09 3I0O . COMPND 2 MOLECULE: SPECTINOMYCIN PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SEROGROUP 1; . AUTHOR D.H.FONG,C.T.LEMKE,J.HWANG,B.XIONG,A.M.BERGHUIS . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 0 1 0 0 0 2 1 2 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 3 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 2 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 4 A Q 0 0 152 0, 0.0 24,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 25.3 33.1 -23.3 1.0 2 5 A P + 0 0 48 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.986 360.0 15.6 -55.9 -68.2 33.7 -26.9 2.3 3 6 A I S S- 0 0 23 1,-0.1 2,-0.2 2,-0.0 3,-0.0 -0.457 83.3-115.8 -99.8 175.4 30.7 -28.5 0.6 4 7 A Q >> - 0 0 134 -2,-0.2 4,-1.9 1,-0.1 3,-1.5 -0.616 35.8 -91.0-107.5 169.2 28.4 -27.3 -2.1 5 8 A A H >> S+ 0 0 43 1,-0.3 4,-2.6 2,-0.2 3,-1.1 0.917 125.0 44.3 -40.9 -71.9 24.7 -26.4 -2.1 6 9 A Q H 3> S+ 0 0 145 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.633 112.6 57.5 -54.0 -14.2 23.3 -29.8 -3.1 7 10 A Q H <> S+ 0 0 83 -3,-1.5 4,-1.6 2,-0.2 -1,-0.3 0.838 108.0 42.6 -85.9 -37.1 25.8 -31.3 -0.6 8 11 A L H S+ 0 0 87 2,-0.1 3,-0.6 3,-0.0 4,-0.2 0.699 96.2 54.2-114.6 -34.7 36.7 -27.9 20.0 55 58 A H T 3> S+ 0 0 118 1,-0.2 4,-2.5 2,-0.1 3,-0.3 0.374 74.0 105.6 -84.7 4.2 34.6 -26.0 22.6 56 59 A D H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.846 80.4 50.0 -54.0 -35.6 31.4 -26.1 20.5 57 60 A E H <> S+ 0 0 103 -3,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.872 112.1 45.9 -73.0 -35.7 30.0 -28.7 22.8 58 61 A I H > S+ 0 0 14 -3,-0.3 4,-1.0 -4,-0.2 -2,-0.2 0.809 114.2 49.5 -75.8 -28.6 30.7 -26.8 26.0 59 62 A N H X S+ 0 0 12 -4,-2.5 4,-1.5 2,-0.2 3,-0.2 0.869 108.9 49.8 -76.2 -37.4 29.4 -23.6 24.4 60 63 A L H X S+ 0 0 6 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.812 105.3 62.7 -66.1 -27.1 26.1 -25.2 23.2 61 64 A S H X S+ 0 0 11 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.887 101.1 50.6 -62.2 -39.9 26.2 -26.3 26.8 62 65 A I H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.2 -2,-0.2 0.875 110.2 45.0 -70.8 -39.3 25.9 -22.7 27.9 63 66 A I H X S+ 0 0 7 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.802 110.1 57.8 -75.1 -23.6 22.9 -21.7 25.7 64 67 A R H X S+ 0 0 107 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.922 109.3 44.8 -66.8 -40.5 21.3 -25.0 26.8 65 68 A L H X S+ 0 0 25 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.854 114.5 48.9 -70.0 -35.7 21.7 -23.6 30.4 66 69 A L H <>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 -2,-0.2 0.882 110.1 50.1 -72.2 -40.1 20.4 -20.2 29.3 67 70 A H H ><5S+ 0 0 93 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.920 110.3 50.7 -64.7 -40.8 17.4 -21.6 27.5 68 71 A D H 3<5S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.886 105.4 58.8 -61.3 -37.9 16.6 -23.7 30.6 69 72 A S T 3<5S- 0 0 53 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.413 121.5-106.9 -73.2 0.8 16.9 -20.5 32.6 70 73 A G T < 5 + 0 0 54 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.601 66.6 148.8 85.8 11.1 14.2 -18.8 30.6 71 74 A I < - 0 0 2 -5,-2.1 3,-0.3 1,-0.2 -1,-0.2 -0.699 20.0-179.9 -82.6 115.8 16.3 -16.4 28.5 72 75 A K + 0 0 122 -2,-0.7 2,-1.0 1,-0.2 4,-0.2 0.729 62.3 86.6 -88.2 -21.6 14.5 -15.9 25.2 73 76 A E S S+ 0 0 10 151,-0.1 152,-3.3 2,-0.1 2,-0.3 0.040 76.1 83.9 -70.2 29.0 17.1 -13.5 23.7 74 77 A I S S- 0 0 12 -2,-1.0 2,-1.0 -3,-0.3 152,-0.1 -0.965 83.3-117.7-129.5 149.0 19.3 -16.3 22.4 75 78 A I - 0 0 29 150,-0.4 -2,-0.1 -2,-0.3 -12,-0.0 -0.763 30.1-147.4 -90.3 105.6 18.9 -18.3 19.1 76 79 A F - 0 0 52 -2,-1.0 -12,-0.0 -4,-0.2 -4,-0.0 -0.554 20.3-115.7 -75.2 130.5 18.2 -21.9 20.1 77 80 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 20,-0.3 -0.080 27.7-105.7 -60.1 162.0 19.6 -24.5 17.6 78 81 A I - 0 0 35 18,-2.5 18,-0.4 7,-0.2 2,-0.1 -0.755 37.5-113.8 -92.6 137.0 17.5 -26.8 15.6 79 82 A H - 0 0 98 -2,-0.4 6,-0.2 1,-0.1 2,-0.1 -0.425 20.3-132.5 -73.1 142.4 17.4 -30.5 16.7 80 83 A T > - 0 0 6 4,-2.7 3,-2.2 -2,-0.1 -64,-0.2 -0.352 39.2 -94.8 -81.9 171.2 18.8 -33.3 14.6 81 84 A L T 3 S+ 0 0 119 -66,-2.4 -65,-0.1 1,-0.3 -1,-0.1 0.693 129.4 59.6 -62.1 -15.6 16.7 -36.5 14.1 82 85 A E T 3 S- 0 0 133 -67,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.124 121.2-109.6 -98.3 19.3 18.7 -37.9 17.0 83 86 A A S < S+ 0 0 76 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.709 75.7 135.7 60.5 23.8 17.5 -35.1 19.3 84 87 A K - 0 0 122 1,-0.1 -4,-2.7 -6,-0.0 -1,-0.2 -0.691 61.8-132.5-100.4 154.9 20.9 -33.5 19.3 85 88 A L S S+ 0 0 14 -2,-0.3 2,-0.3 -6,-0.2 11,-0.2 0.389 92.1 25.9 -85.1 3.6 21.7 -29.7 19.0 86 89 A F S S- 0 0 35 9,-0.1 2,-0.6 -9,-0.1 9,-0.2 -0.971 73.4-128.6-162.2 148.6 24.4 -30.5 16.4 87 90 A Q E -D 94 0A 17 7,-2.0 7,-2.5 -2,-0.3 2,-0.6 -0.909 21.4-141.8-107.8 114.7 25.3 -33.3 13.9 88 91 A Q E -D 93 0A 100 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.622 28.1-172.9 -76.0 117.2 28.9 -34.7 14.2 89 92 A L - 0 0 25 3,-2.7 -1,-0.0 -2,-0.6 0, 0.0 -0.522 39.7 -82.8-106.8 175.0 30.2 -35.3 10.6 90 93 A K S S- 0 0 93 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.865 120.0 -5.9 -40.7 -57.2 33.3 -36.9 9.1 91 94 A H S S+ 0 0 68 1,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.579 132.4 33.2-118.6 -17.6 35.5 -33.9 9.5 92 95 A F S S- 0 0 24 -5,-0.0 -3,-2.7 -40,-0.0 2,-0.4 -0.720 70.5-114.2-131.4-176.3 33.3 -31.1 10.7 93 96 A K E -CD 51 88A 13 -42,-2.3 -42,-1.5 -5,-0.2 2,-0.4 -0.945 20.4-142.2-124.2 139.3 30.2 -30.4 12.8 94 97 A I E +CD 50 87A 0 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.4 -0.869 18.1 176.8-105.2 136.5 26.8 -29.0 11.7 95 98 A I E -C 49 0A 0 -46,-2.2 -46,-3.1 -2,-0.4 2,-0.3 -0.928 8.2-169.2-139.5 112.1 24.7 -26.5 13.7 96 99 A A E +C 48 0A 1 -18,-0.4 -18,-2.5 -2,-0.4 -48,-0.2 -0.737 7.6 174.6-102.5 149.5 21.5 -25.2 12.3 97 100 A Y E -C 47 0A 25 -50,-1.6 -50,-2.8 -2,-0.3 2,-0.1 -0.937 42.1 -92.1-142.9 161.8 19.4 -22.4 13.7 98 101 A P E -C 46 0A 53 0, 0.0 2,-0.5 0, 0.0 -52,-0.3 -0.480 53.7-103.4 -72.0 158.5 16.3 -20.7 12.4 99 102 A F - 0 0 45 -54,-2.3 2,-0.5 -60,-0.1 -54,-0.2 -0.731 32.5-161.5 -88.1 129.5 17.3 -17.7 10.2 100 103 A I - 0 0 42 -2,-0.5 -54,-0.0 1,-0.1 -25,-0.0 -0.947 5.9-163.5-110.6 119.7 16.9 -14.3 11.9 101 104 A H + 0 0 145 -2,-0.5 -1,-0.1 115,-0.0 -2,-0.0 0.626 49.3 119.4 -79.1 -13.5 16.7 -11.3 9.4 102 105 A A - 0 0 19 114,-0.1 116,-0.2 1,-0.1 2,-0.1 -0.143 64.6-121.3 -53.7 144.8 17.5 -8.6 12.0 103 106 A P - 0 0 51 0, 0.0 114,-2.7 0, 0.0 -1,-0.1 -0.435 30.6-105.1 -82.8 164.3 20.6 -6.5 11.4 104 107 A N B >> -E 216 0B 52 112,-0.2 4,-1.9 -2,-0.1 3,-1.2 -0.229 36.2 -94.3 -82.6 179.0 23.3 -6.3 14.0 105 108 A G T 34 S+ 0 0 0 107,-2.7 108,-0.2 110,-1.2 107,-0.1 0.631 117.3 70.5 -69.6 -15.4 24.0 -3.4 16.3 106 109 A F T 34 S+ 0 0 89 106,-0.4 -1,-0.2 109,-0.2 3,-0.1 0.729 116.5 25.4 -70.8 -20.5 26.7 -1.9 14.1 107 110 A T T <4 S+ 0 0 108 -3,-1.2 2,-0.5 1,-0.2 -2,-0.2 0.654 121.9 52.1-114.0 -27.8 23.8 -1.0 11.7 108 111 A Q S < S- 0 0 89 -4,-1.9 -1,-0.2 104,-0.1 2,-0.1 -0.966 72.5-141.4-121.0 122.7 20.8 -0.8 13.9 109 112 A N - 0 0 85 -2,-0.5 2,-0.3 -3,-0.1 -3,-0.1 -0.464 21.9-119.9 -77.6 151.4 20.6 1.4 17.1 110 113 A L - 0 0 8 -2,-0.1 2,-0.1 -5,-0.1 -1,-0.1 -0.680 25.5-124.2 -88.9 145.8 18.8 0.0 20.1 111 114 A T > - 0 0 74 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.407 31.6-101.4 -81.2 166.6 15.8 2.0 21.3 112 115 A G H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.909 127.2 51.0 -54.0 -40.9 15.8 3.2 24.9 113 116 A K H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 109.5 48.0 -62.7 -46.5 13.4 0.3 25.6 114 117 A Q H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 108.0 56.6 -63.5 -37.1 15.6 -2.3 23.9 115 118 A W H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.892 107.2 48.7 -60.7 -38.1 18.6 -0.9 25.9 116 119 A K H X S+ 0 0 83 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.893 110.3 51.7 -67.2 -39.2 16.6 -1.6 29.1 117 120 A Q H X S+ 0 0 18 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.853 107.7 51.7 -66.5 -36.2 15.9 -5.1 27.8 118 121 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.896 110.3 48.4 -68.9 -38.9 19.5 -5.8 27.1 119 122 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 111.5 50.5 -66.5 -39.1 20.5 -4.7 30.6 120 123 A K H X S+ 0 0 129 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.913 113.4 45.3 -64.2 -42.4 17.8 -6.9 32.0 121 124 A V H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.841 110.3 52.2 -71.6 -36.0 19.0 -9.9 30.0 122 125 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.910 109.4 51.0 -67.1 -39.4 22.7 -9.5 30.7 123 126 A R H X S+ 0 0 66 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.924 108.3 53.0 -61.2 -43.4 21.8 -9.4 34.4 124 127 A Q H X S+ 0 0 67 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.916 109.8 47.6 -56.3 -46.8 19.8 -12.6 33.9 125 128 A I H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 80,-0.3 0.928 113.8 46.9 -61.0 -47.5 22.9 -14.2 32.3 126 129 A H H 3< S+ 0 0 9 -4,-2.7 79,-0.5 1,-0.2 -2,-0.2 0.866 111.6 50.6 -63.8 -36.0 25.2 -13.1 35.1 127 130 A E H 3< S+ 0 0 128 -4,-2.8 -1,-0.2 -5,-0.2 2,-0.2 0.628 86.4 116.1 -77.2 -11.9 22.7 -14.2 37.8 128 131 A T << - 0 0 16 -4,-0.9 77,-0.4 -3,-0.7 2,-0.3 -0.396 66.4-130.7 -65.4 126.1 22.5 -17.6 36.1 129 132 A S - 0 0 104 -2,-0.2 -1,-0.1 -64,-0.1 -2,-0.1 -0.605 18.5-147.6 -79.1 130.8 23.9 -20.4 38.3 130 133 A V - 0 0 10 -2,-0.3 5,-0.1 2,-0.0 -68,-0.0 -0.874 16.1-119.5-107.7 120.2 26.3 -22.8 36.6 131 134 A P >> - 0 0 60 0, 0.0 4,-2.3 0, 0.0 3,-1.9 -0.201 25.4-120.9 -52.6 139.1 26.6 -26.5 37.4 132 135 A I H 3> S+ 0 0 115 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.785 112.2 63.0 -53.6 -29.3 30.0 -27.4 38.7 133 136 A S H 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.800 110.2 38.7 -68.0 -26.3 30.4 -29.8 35.9 134 137 A I H X> S+ 0 0 18 -3,-1.9 3,-1.6 2,-0.2 4,-1.4 0.830 109.6 59.6 -89.9 -37.6 30.2 -27.0 33.4 135 138 A Q H 3< S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.838 101.7 56.3 -58.1 -34.0 32.3 -24.5 35.5 136 139 A Q T 3< S+ 0 0 139 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.621 110.8 44.2 -73.8 -14.1 35.1 -27.0 35.3 137 140 A Q T <4 S+ 0 0 118 -3,-1.6 2,-0.3 -5,-0.1 -2,-0.2 0.590 95.2 92.1-103.5 -16.3 35.0 -26.9 31.5 138 141 A L S < S- 0 0 3 -4,-1.4 94,-0.1 -3,-0.1 2,-0.0 -0.611 81.6-116.9 -82.5 137.9 34.6 -23.1 31.2 139 142 A R E -g 232 0C 112 92,-0.5 94,-2.1 -2,-0.3 2,-0.3 -0.404 34.2-143.5 -67.4 149.0 37.8 -21.1 30.8 140 143 A K E -g 233 0C 97 92,-0.2 2,-0.7 -2,-0.0 94,-0.2 -0.816 21.2 -95.6-116.3 160.9 38.3 -18.7 33.8 141 144 A E + 0 0 26 92,-1.7 62,-0.0 -2,-0.3 91,-0.0 -0.628 49.3 157.0 -75.0 113.4 39.7 -15.2 34.0 142 145 A I - 0 0 128 -2,-0.7 -1,-0.2 92,-0.0 92,-0.0 0.156 53.4-122.3-122.4 15.7 43.4 -15.5 34.9 143 146 A Y - 0 0 22 1,-0.1 -2,-0.1 2,-0.1 50,-0.0 0.839 39.3-160.3 45.6 42.6 44.5 -12.1 33.6 144 147 A S - 0 0 40 1,-0.1 3,-0.5 2,-0.0 4,-0.3 -0.200 21.1-145.5 -54.8 136.2 47.0 -13.8 31.3 145 148 A P S > S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.362 70.1 113.0 -84.9 7.6 49.9 -11.6 30.1 146 149 A K H > S+ 0 0 101 1,-0.2 4,-1.4 2,-0.2 -2,-0.0 0.861 78.9 37.8 -46.1 -50.1 49.8 -13.6 26.8 147 150 A W H > S+ 0 0 56 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.855 111.9 57.4 -76.4 -34.4 48.6 -10.8 24.6 148 151 A R H > S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.865 107.7 49.7 -62.5 -35.8 50.6 -8.0 26.3 149 152 A E H X S+ 0 0 116 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.904 108.5 51.8 -69.0 -44.1 53.8 -10.0 25.5 150 153 A I H < S+ 0 0 34 -4,-1.4 4,-0.3 -5,-0.2 -2,-0.2 0.922 109.9 48.3 -60.4 -44.8 52.9 -10.5 21.9 151 154 A V H >X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.9 0.894 111.2 51.5 -64.1 -37.5 52.3 -6.8 21.3 152 155 A R H >X S+ 0 0 80 -4,-1.6 4,-0.6 1,-0.3 3,-0.6 0.882 99.9 62.0 -65.9 -36.0 55.6 -6.1 23.0 153 156 A S H 3< S+ 0 0 63 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.625 101.1 57.3 -64.7 -8.9 57.3 -8.6 20.7 154 157 A F H X> S+ 0 0 6 -3,-1.3 3,-2.9 -4,-0.3 4,-0.8 0.830 83.8 81.1 -86.7 -37.8 56.1 -6.1 18.0 155 158 A Y H X< S+ 0 0 56 -4,-0.9 3,-0.6 -3,-0.6 -2,-0.2 0.817 97.1 41.9 -34.1 -53.0 57.9 -3.1 19.5 156 159 A N T 3< S+ 0 0 157 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.014 106.8 64.4 -91.1 28.7 61.2 -4.1 17.9 157 160 A Q T <4 + 0 0 86 -3,-2.9 2,-2.1 1,-0.1 -1,-0.2 0.523 69.0 94.6-123.8 -13.7 59.8 -5.1 14.5 158 161 A I << + 0 0 27 -4,-0.8 2,-0.4 -3,-0.6 -1,-0.1 -0.423 57.7 127.9 -82.0 67.9 58.4 -1.9 13.2 159 162 A E - 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H 0 204C 0 -30,-1.9 -30,-2.5 -2,-0.5 -2,-0.1 -0.980 67.7 -50.8-172.6 173.0 35.0 -13.8 35.2 235 238 A P E > - H 0 203C 7 0, 0.0 3,-2.8 0, 0.0 4,-0.3 -0.316 52.7-117.1 -59.8 143.9 34.1 -10.5 36.8 236 239 A K T >> S+ 0 0 44 -34,-0.5 4,-2.1 1,-0.3 3,-1.8 0.753 112.6 75.0 -51.8 -26.3 30.8 -9.0 35.5 237 240 A E H 3> S+ 0 0 5 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.765 76.1 77.6 -59.4 -24.9 33.0 -6.1 34.2 238 241 A R H <4 S+ 0 0 18 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.866 111.6 23.6 -51.5 -37.9 34.2 -8.5 31.5 239 242 A D H X4 S+ 0 0 0 -3,-1.8 3,-1.5 -4,-0.3 4,-0.4 0.752 116.3 62.0-100.2 -32.4 30.8 -7.7 29.9 240 243 A L H >< S+ 0 0 1 -4,-2.1 3,-1.4 1,-0.3 -3,-0.2 0.791 86.3 77.0 -67.6 -24.1 29.9 -4.3 31.3 241 244 A M T 3< S+ 0 0 6 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.745 88.3 61.2 -56.9 -21.4 33.0 -2.8 29.7 242 245 A F T X S+ 0 0 2 -3,-1.5 3,-2.4 -5,-0.1 2,-0.7 0.786 78.3 91.7 -77.4 -29.5 31.0 -2.9 26.4 243 246 A I T < S- 0 0 7 -3,-1.4 9,-0.1 -4,-0.4 8,-0.1 -0.578 116.1 -2.3 -69.4 112.2 28.3 -0.6 27.6 244 247 A G T 3 S+ 0 0 2 -2,-0.7 -1,-0.3 7,-0.5 -2,-0.1 0.591 103.9 125.4 79.8 10.8 29.7 2.8 26.5 245 248 A G < - 0 0 4 -3,-2.4 7,-0.2 -5,-0.1 77,-0.2 0.679 65.9-136.9 -75.9 -21.1 32.7 0.8 25.3 246 249 A G > + 0 0 0 5,-1.4 3,-2.1 -4,-0.5 73,-0.5 0.570 36.5 167.3 77.3 11.5 32.6 2.2 21.8 247 250 A V G > S+ 0 0 15 -5,-0.3 3,-0.8 1,-0.3 -35,-0.3 -0.402 75.8 7.6 -62.6 128.3 33.2 -1.0 19.8 248 251 A G G 3 S- 0 0 22 1,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.650 126.8 -74.7 76.0 14.4 32.4 -0.4 16.2 249 252 A N G < S+ 0 0 87 -3,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.717 114.3 88.6 70.5 20.7 31.9 3.4 16.8 250 253 A V < + 0 0 23 -3,-0.8 -1,-0.3 1,-0.1 -4,-0.2 -0.799 60.8 53.3-134.4 177.3 28.5 2.8 18.5 251 254 A W S S+ 0 0 9 -2,-0.3 -5,-1.4 -5,-0.1 -7,-0.5 0.852 81.6 111.1 60.0 31.0 27.5 2.1 22.1 252 255 A N + 0 0 16 -7,-0.2 -1,-0.1 -6,-0.2 3,-0.1 0.021 39.2 105.2-123.3 24.7 29.5 5.2 22.8 253 256 A K >> - 0 0 91 1,-0.1 3,-2.0 0, 0.0 4,-0.9 -0.929 62.2-147.6-108.4 112.8 26.7 7.6 23.8 254 257 A P H >> S+ 0 0 90 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.809 92.4 62.9 -48.2 -37.3 26.6 8.2 27.6 255 258 A H H 3> S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -3,-0.0 0.710 98.8 55.5 -66.9 -17.2 22.8 8.5 27.8 256 259 A E H <> S+ 0 0 14 -3,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.801 94.7 67.9 -81.6 -29.7 22.3 5.0 26.6 257 260 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-1.2 0.928 108.8 47.1 -56.8 -52.8 21.0 -0.1 30.1 261 264 A Y H 3X S+ 0 0 40 -4,-2.0 4,-3.1 1,-0.3 5,-0.5 0.751 97.9 72.6 -65.0 -22.0 21.5 -0.0 33.9 262 265 A E H 3< S+ 0 0 124 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.871 112.0 28.7 -58.6 -36.5 17.8 0.7 34.2 263 266 A G H << S+ 0 0 15 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.765 120.4 53.0 -94.7 -31.1 17.3 -2.9 33.2 264 267 A Y H < S- 0 0 6 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.850 115.7-110.0 -72.4 -34.3 20.5 -4.4 34.5 265 268 A G < - 0 0 26 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.677 28.9 -97.0 101.7 97.2 19.9 -2.9 38.0 266 269 A E + 0 0 89 -5,-0.5 2,-0.2 -8,-0.1 -4,-0.0 -0.198 67.4 148.7 -45.2 110.6 22.1 -0.1 39.1 267 270 A I - 0 0 68 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.767 53.0 -60.4-136.8-176.1 24.8 -1.8 41.2 268 271 A N - 0 0 86 -2,-0.2 2,-0.5 2,-0.0 -2,-0.0 -0.600 47.7-170.0 -77.0 119.0 28.4 -1.6 42.2 269 272 A V - 0 0 34 -2,-0.5 2,-1.1 -33,-0.0 3,-0.0 -0.941 25.4-126.7-111.7 121.1 30.7 -1.7 39.2 270 273 A D > - 0 0 69 -2,-0.5 4,-2.3 1,-0.2 3,-0.3 -0.535 20.1-163.1 -67.9 102.1 34.5 -2.1 39.9 271 274 A K H > S+ 0 0 138 -2,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.689 84.7 57.1 -61.3 -19.3 35.8 0.8 37.8 272 275 A T H > S+ 0 0 36 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.913 109.5 40.8 -79.3 -45.7 39.3 -0.7 37.9 273 276 A I H > S+ 0 0 14 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.889 113.5 56.4 -67.9 -37.7 38.5 -4.1 36.4 274 277 A L H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.864 110.6 44.1 -61.7 -35.7 36.2 -2.3 33.9 275 278 A S H X S+ 0 0 16 -4,-1.0 4,-1.6 -5,-0.2 -1,-0.2 0.863 108.7 57.8 -77.5 -37.3 39.1 -0.1 32.8 276 279 A Y H >X S+ 0 0 2 -4,-2.2 4,-3.5 1,-0.2 3,-0.8 0.972 108.1 46.2 -54.1 -58.0 41.5 -3.1 32.7 277 280 A Y H 3X S+ 0 0 2 -4,-2.4 4,-3.4 1,-0.3 5,-0.3 0.895 107.3 55.9 -53.4 -47.9 39.2 -4.9 30.2 278 281 A R H 3X S+ 0 0 21 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.3 0.837 117.3 37.6 -56.0 -32.7 38.7 -1.9 27.9 279 282 A H H - 0 0 31 -2,-0.3 3,-1.2 1,-0.1 -1,-0.2 0.363 34.2-138.5 -12.7 124.2 51.8 -15.0 4.9 298 301 A Q T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.921 99.1 62.4 -61.8 -46.7 50.5 -15.0 1.4 299 302 A N T 3 S+ 0 0 83 1,-0.1 2,-1.7 2,-0.1 -1,-0.3 0.329 73.3 118.5 -64.1 11.5 47.2 -16.8 2.2 300 303 A N < + 0 0 41 -3,-1.2 3,-0.5 -4,-0.2 4,-0.3 -0.594 21.3 154.5 -83.2 82.3 46.4 -13.8 4.4 301 304 A Q S S+ 0 0 99 -2,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.513 73.5 66.4 -81.7 -4.4 43.3 -12.6 2.6 302 305 A S S > S+ 0 0 46 -3,-0.2 4,-3.3 1,-0.2 5,-0.2 0.693 72.3 85.8 -87.9 -24.7 42.6 -11.2 6.1 303 306 A R H > S+ 0 0 29 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.859 87.4 55.8 -46.4 -43.3 45.5 -8.6 6.2 304 307 A L H > S+ 0 0 132 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.964 114.1 38.4 -56.2 -54.6 43.2 -6.1 4.4 305 308 A E H > S+ 0 0 98 -4,-0.4 4,-3.1 -3,-0.2 5,-0.3 0.936 112.9 56.5 -61.9 -49.0 40.6 -6.4 7.1 306 309 A S H X S+ 0 0 11 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.899 110.5 45.1 -50.4 -45.0 43.1 -6.6 10.0 307 310 A F H X S+ 0 0 23 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.938 112.7 49.5 -66.5 -47.0 44.6 -3.3 8.9 308 311 A K H X S+ 0 0 133 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.934 116.2 42.9 -56.1 -48.6 41.3 -1.6 8.5 309 312 A Y H X S+ 0 0 85 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.880 110.0 57.5 -65.7 -39.8 40.1 -2.8 11.9 310 313 A F H >< S+ 0 0 0 -4,-2.4 3,-0.9 -5,-0.3 4,-0.4 0.973 113.1 38.0 -55.9 -57.3 43.4 -2.0 13.5 311 314 A K H >< S+ 0 0 74 -4,-2.5 3,-2.0 1,-0.2 4,-0.2 0.862 105.5 69.0 -63.0 -36.1 43.3 1.7 12.5 312 315 A E H >< S+ 0 0 50 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.831 90.0 65.3 -51.4 -34.8 39.6 1.9 13.1 313 316 A M T << S+ 0 0 5 -4,-1.3 7,-1.8 -3,-0.9 8,-0.4 0.758 97.6 52.7 -62.2 -26.6 40.4 1.5 16.8 314 317 A F T < S+ 0 0 26 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.325 84.1 117.1 -94.7 8.6 42.2 4.8 17.0 315 318 A D S X S- 0 0 77 -3,-1.5 3,-2.2 -4,-0.2 6,-0.4 -0.229 81.2 -68.9 -73.2 164.0 39.4 6.9 15.5 316 319 A P T 3 S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.263 119.4 -1.3 -54.6 132.4 37.6 9.7 17.3 317 320 A N T 3 S+ 0 0 66 1,-0.2 2,-0.1 -3,-0.1 -68,-0.1 0.656 104.3 128.1 60.3 18.0 35.4 8.4 20.1 318 321 A N S <> S- 0 0 2 -3,-2.2 4,-1.9 -5,-0.1 5,-0.2 -0.305 79.8 -70.8 -92.2-175.5 36.3 4.8 19.3 319 322 A V H > S+ 0 0 17 -73,-0.5 4,-1.6 1,-0.2 5,-0.2 0.753 127.6 51.1 -48.6 -38.3 37.7 2.1 21.8 320 323 A V H > S+ 0 0 5 -7,-1.8 4,-2.4 2,-0.2 5,-0.2 0.965 112.1 44.5 -68.1 -52.1 41.1 3.6 22.3 321 324 A E H > S+ 0 0 97 -6,-0.4 4,-1.2 -8,-0.4 -2,-0.2 0.830 114.9 50.9 -62.1 -29.7 40.0 7.2 23.2 322 325 A I H < S+ 0 0 2 -4,-1.9 6,-0.2 2,-0.2 -1,-0.2 0.847 109.9 48.2 -76.3 -32.4 37.2 5.8 25.4 323 326 A A H < S+ 0 0 3 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.893 113.0 48.5 -71.5 -40.9 39.7 3.5 27.3 324 327 A F H < S+ 0 0 35 -4,-2.4 2,-2.2 1,-0.2 -2,-0.2 0.778 93.7 80.8 -69.3 -28.0 42.0 6.5 27.8 325 328 A A >< + 0 0 18 -4,-1.2 3,-2.2 -5,-0.2 4,-0.2 -0.458 58.2 172.8 -80.9 69.1 39.1 8.6 29.0 326 329 A T G > + 0 0 95 -2,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.780 68.5 75.0 -46.7 -32.9 39.2 7.2 32.5 327 330 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.428 88.2 62.9 -64.7 4.1 36.6 9.8 33.5 328 331 A Q G < 0 0 63 -3,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 0.564 360.0 360.0-103.6 -13.5 34.0 7.7 31.6 329 332 A L < 0 0 47 -3,-2.1 -58,-0.1 -4,-0.2 -57,-0.1 -0.044 360.0 360.0 -69.1 360.0 34.3 4.6 33.8