==== 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 22-JAN-04 1S60 . COMPND 2 MOLECULE: AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERITIDIS; . AUTHOR M.W.VETTING,S.MAGNET,E.NIEVES,S.L.RODERICK,J.S.BLANCHARD . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 17.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 13 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 2 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 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 -6 A L 0 0 128 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.6 -9.6 26.6 30.5 2 -5 A V + 0 0 121 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.715 360.0 93.4-132.6 -26.5 -6.2 28.1 29.8 3 -4 A P S S+ 0 0 138 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.712 95.5 44.5 -47.8 -21.0 -5.2 29.7 26.4 4 -3 A R S S- 0 0 212 1,-0.2 2,-0.2 3,-0.0 0, 0.0 -0.244 82.3-115.8-109.6-164.3 -6.2 33.1 27.9 5 -2 A G - 0 0 64 -2,-0.1 2,-0.4 0, 0.0 -1,-0.2 -0.295 44.7 -84.8-114.8-155.8 -5.8 35.1 31.0 6 -1 A S - 0 0 71 -2,-0.2 52,-0.5 1,-0.0 0, 0.0 -0.633 48.2-114.3-129.5 81.9 -8.5 36.1 33.5 7 0 A H - 0 0 147 -2,-0.4 51,-1.0 50,-0.1 2,-0.4 0.668 18.2-137.9 1.2 146.4 -10.4 39.3 32.7 8 1 A M E -A 57 0A 45 49,-0.2 2,-0.5 50,-0.1 49,-0.2 -0.983 12.4-152.5-122.7 135.7 -10.4 42.5 34.7 9 2 A D E -A 56 0A 86 47,-3.3 47,-3.3 -2,-0.4 2,-0.7 -0.920 7.7-160.4-116.2 121.4 -13.5 44.6 35.4 10 3 A I E +A 55 0A 39 -2,-0.5 2,-0.3 45,-0.2 45,-0.2 -0.879 30.7 170.6 -92.6 118.4 -13.6 48.3 36.0 11 4 A R E -A 54 0A 106 43,-2.8 43,-2.9 -2,-0.7 2,-0.5 -0.904 40.3-105.9-128.5 157.0 -17.0 48.8 37.7 12 5 A Q E -A 53 0A 107 -2,-0.3 2,-0.4 41,-0.2 41,-0.3 -0.739 48.3-106.7 -83.8 125.8 -18.6 51.8 39.5 13 6 A M + 0 0 5 39,-1.5 39,-0.2 -2,-0.5 2,-0.2 -0.373 47.2 172.4 -59.4 112.7 -18.5 51.1 43.2 14 7 A N > - 0 0 72 -2,-0.4 3,-1.4 0, 0.0 4,-0.3 -0.392 54.5 -78.5-104.2-173.0 -22.0 50.2 44.5 15 8 A K G > S+ 0 0 169 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.774 125.8 64.5 -66.9 -22.8 -22.6 49.0 48.1 16 9 A T G 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.256 101.9 52.6 -81.6 15.4 -21.5 45.4 47.5 17 10 A H G <> S+ 0 0 4 -3,-1.4 4,-2.8 2,-0.1 3,-0.5 0.360 75.9 106.5-122.7 -7.6 -18.0 46.8 46.8 18 11 A L H <> S+ 0 0 24 -3,-1.1 4,-1.5 -4,-0.3 -2,-0.1 0.687 82.4 42.0 -49.2 -29.8 -17.7 48.8 50.0 19 12 A E H > S+ 0 0 102 2,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.801 113.9 49.9 -91.2 -28.3 -15.2 46.4 51.7 20 13 A H H > S+ 0 0 74 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.950 116.5 43.7 -67.5 -50.2 -13.0 45.8 48.7 21 14 A W H >X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 3,-0.6 0.962 113.6 49.8 -58.3 -55.4 -12.8 49.5 48.2 22 15 A R H 3X S+ 0 0 54 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.904 108.1 56.3 -51.7 -42.5 -12.3 50.3 51.9 23 16 A G H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.872 113.3 37.2 -57.4 -43.0 -9.5 47.6 51.9 24 17 A L H X< S+ 0 0 9 -4,-1.7 3,-2.1 -3,-0.6 -2,-0.2 0.893 112.7 58.2 -74.9 -43.7 -7.5 49.3 49.1 25 18 A R H >X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.3 3,-1.8 0.771 92.0 68.7 -58.3 -31.4 -8.3 52.9 50.3 26 19 A K T 3< S+ 0 0 73 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.705 102.0 49.6 -62.4 -16.5 -6.7 52.1 53.7 27 20 A Q T <4 S+ 0 0 111 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.396 109.3 47.8-103.0 0.8 -3.5 52.0 51.7 28 21 A L T <4 S+ 0 0 48 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.744 130.0 23.0-101.3 -40.1 -3.9 55.3 49.9 29 22 A W S >< S+ 0 0 91 -4,-2.6 3,-2.1 3,-0.1 2,-0.7 -0.585 72.4 173.5-125.8 63.7 -4.9 57.0 53.1 30 23 A P T 3 S+ 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.643 75.8 52.1 -71.2 116.9 -3.4 55.0 56.0 31 24 A G T 3 S+ 0 0 81 -2,-0.7 -5,-0.1 1,-0.5 -4,-0.1 0.217 81.1 100.8 136.4 -13.6 -4.2 57.4 58.7 32 25 A H S < S- 0 0 64 -3,-2.1 -1,-0.5 -6,-0.1 -3,-0.1 -0.943 79.5-120.6-103.7 116.7 -7.9 57.8 57.9 33 26 A P > - 0 0 82 0, 0.0 4,-2.2 0, 0.0 5,-0.3 -0.150 18.6-111.3 -60.4 145.3 -9.8 55.4 60.5 34 27 A D H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.760 121.1 55.0 -51.9 -28.0 -12.0 52.5 59.3 35 28 A D H > S+ 0 0 133 2,-0.2 4,-3.0 3,-0.1 -1,-0.2 0.965 105.8 49.6 -67.0 -54.1 -14.9 54.5 60.5 36 29 A A H > S+ 0 0 25 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.913 110.4 50.5 -49.6 -54.1 -14.0 57.5 58.4 37 30 A H H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.864 111.3 49.5 -53.3 -41.7 -13.6 55.3 55.3 38 31 A L H X S+ 0 0 59 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.919 108.3 52.0 -65.4 -46.4 -17.0 53.8 55.9 39 32 A A H X S+ 0 0 45 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.961 110.7 50.0 -50.4 -54.8 -18.6 57.2 56.4 40 33 A D H X S+ 0 0 43 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.896 106.1 54.2 -52.4 -51.5 -17.1 58.2 53.0 41 34 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.921 109.6 48.1 -51.8 -47.4 -18.3 55.1 51.2 42 35 A E H X S+ 0 0 102 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.978 114.2 46.5 -55.2 -57.7 -21.9 55.9 52.3 43 36 A E H X S+ 0 0 106 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.938 113.9 47.7 -48.8 -59.0 -21.5 59.5 51.2 44 37 A I H < S+ 0 0 19 -4,-3.2 6,-0.3 1,-0.2 3,-0.2 0.956 110.2 52.2 -47.5 -66.4 -20.0 58.6 47.8 45 38 A L H < S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.0 39.0 -35.9 -63.5 -22.6 56.0 47.0 46 39 A Q H < S+ 0 0 146 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.835 95.5 94.2 -63.7 -37.2 -25.6 58.4 47.7 47 40 A A < - 0 0 21 -4,-2.5 3,-0.2 -5,-0.2 -4,-0.0 -0.227 64.1-145.8 -64.7 142.7 -24.2 61.7 46.2 48 41 A D S S+ 0 0 135 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.815 101.6 44.3 -75.0 -30.6 -25.0 62.7 42.6 49 42 A H S S+ 0 0 86 20,-0.1 20,-1.1 19,-0.0 2,-0.4 0.492 100.7 78.8 -93.1 -7.7 -21.6 64.3 42.2 50 43 A L E + B 0 68A 29 -6,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.842 51.8 163.4-104.8 140.4 -19.4 61.6 43.8 51 44 A A E - B 0 67A 2 16,-2.2 16,-2.1 -2,-0.4 2,-0.3 -0.989 14.6-165.3-149.8 150.8 -18.4 58.4 42.1 52 45 A S E - B 0 66A 2 -2,-0.3 -39,-1.5 -39,-0.2 2,-0.4 -0.934 8.1-149.4-134.0 158.3 -15.8 55.7 42.6 53 46 A F E -AB 12 65A 10 12,-2.7 12,-1.9 -2,-0.3 2,-0.4 -0.996 4.9-161.8-134.5 137.4 -14.4 53.0 40.5 54 47 A I E -AB 11 64A 0 -43,-2.9 -43,-2.8 -2,-0.4 2,-0.7 -0.922 12.4-146.2-115.1 141.8 -13.1 49.6 41.4 55 48 A A E -AB 10 63A 0 8,-3.3 7,-2.7 -2,-0.4 8,-0.8 -0.933 22.5-167.9-108.8 105.1 -11.0 47.4 39.2 56 49 A M E -AB 9 61A 5 -47,-3.3 -47,-3.3 -2,-0.7 2,-0.4 -0.759 6.9-175.2 -91.1 136.8 -12.0 43.8 40.0 57 50 A A E > S-AB 8 60A 18 3,-3.4 3,-2.4 -2,-0.4 -49,-0.2 -0.992 72.0 -19.8-135.3 127.7 -9.8 40.9 38.8 58 51 A D T 3 S- 0 0 132 -51,-1.0 -1,-0.1 -52,-0.5 3,-0.1 0.870 129.3 -47.6 38.7 57.1 -10.9 37.3 39.3 59 52 A G T 3 S+ 0 0 59 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.484 120.7 98.7 69.3 4.8 -13.3 38.3 42.1 60 53 A V E < S-B 57 0A 80 -3,-2.4 -3,-3.4 -40,-0.0 2,-0.6 -0.935 74.3-117.0-124.9 151.0 -10.9 40.5 44.0 61 54 A A E +B 56 0A 9 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.739 35.4 165.2 -86.9 113.0 -10.3 44.3 44.1 62 55 A I E + 0 0 3 -7,-2.7 29,-3.0 -2,-0.6 2,-0.3 0.496 61.9 3.7-110.0 -1.0 -6.9 45.3 42.8 63 56 A G E -BC 55 90A 0 -8,-0.8 -8,-3.3 27,-0.3 -1,-0.3 -0.928 57.7-171.3-173.5 152.1 -7.2 49.0 42.2 64 57 A F E -BC 54 89A 0 25,-2.6 25,-2.3 -2,-0.3 2,-0.3 -0.952 9.3-153.2-148.1 167.0 -9.7 51.9 42.7 65 58 A A E -BC 53 88A 0 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.6 -0.991 9.8-147.5-144.7 137.4 -10.1 55.6 41.8 66 59 A D E -BC 52 87A 6 21,-4.1 20,-2.0 -2,-0.3 21,-1.1 -0.929 23.1-179.3-110.1 106.0 -12.1 58.2 43.6 67 60 A A E +BC 51 85A 2 -16,-2.1 -16,-2.2 -2,-0.6 2,-0.3 -0.762 6.4 179.5-106.5 151.4 -13.7 60.9 41.3 68 61 A S E -BC 50 84A 14 16,-1.6 16,-2.2 -2,-0.3 2,-0.5 -0.910 28.8-121.3-139.5 164.6 -15.8 63.9 42.2 69 62 A I E - C 0 83A 15 -20,-1.1 2,-0.5 -2,-0.3 14,-0.2 -0.967 28.3-148.1-112.4 119.3 -17.4 66.6 40.1 70 63 A R E + C 0 82A 72 12,-2.9 12,-2.1 -2,-0.5 4,-0.1 -0.780 24.7 173.8 -95.7 128.7 -16.2 70.1 41.0 71 64 A H + 0 0 134 -2,-0.5 -1,-0.1 10,-0.2 2,-0.1 0.370 62.5 77.8-108.3 2.5 -18.4 73.1 40.7 72 65 A D S S- 0 0 133 1,-0.2 10,-0.1 10,-0.1 -2,-0.1 -0.256 101.8 -59.7 -97.9-173.3 -16.0 75.5 42.3 73 66 A Y - 0 0 175 -2,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.373 54.4-158.0 -64.6 151.4 -12.9 77.2 40.9 74 67 A V > - 0 0 7 3,-0.3 3,-2.4 -3,-0.1 5,-0.1 -0.816 21.9-111.3-141.9 103.7 -10.3 74.6 39.8 75 68 A N T 3 S+ 0 0 61 -2,-0.4 68,-0.2 1,-0.3 67,-0.1 0.110 100.3 5.6 -31.8 119.7 -6.7 75.4 39.5 76 69 A G T 3 S+ 0 0 22 1,-0.2 2,-0.3 66,-0.1 -1,-0.3 0.521 103.2 122.5 81.2 7.6 -5.6 75.3 35.8 77 70 A C < - 0 0 22 -3,-2.4 -3,-0.3 1,-0.1 -1,-0.2 -0.797 43.3-170.6-110.1 147.2 -9.1 74.8 34.4 78 71 A D + 0 0 159 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.752 69.0 45.1-100.8 -31.9 -11.1 76.9 32.0 79 72 A S S S- 0 0 17 2,-0.1 -5,-0.1 -5,-0.1 37,-0.0 -0.593 77.7 -98.4-113.0 174.9 -14.6 75.3 32.2 80 73 A S S S+ 0 0 52 -2,-0.2 2,-0.2 35,-0.1 -9,-0.1 -0.977 85.5 33.9-143.6 145.2 -17.0 74.1 34.7 81 74 A P S S- 0 0 16 0, 0.0 36,-0.7 0, 0.0 37,-0.6 0.704 75.3-160.9 -81.3 174.7 -17.9 71.6 36.0 82 75 A V E -Cd 70 118A 1 -12,-2.1 -12,-2.9 34,-0.2 2,-0.9 -0.915 19.2-132.3-120.1 144.4 -14.7 69.6 36.2 83 76 A V E -Cd 69 119A 4 35,-2.4 37,-1.3 -2,-0.4 2,-0.3 -0.869 33.4-163.0 -93.6 109.9 -14.2 65.9 36.7 84 77 A F E -Cd 68 120A 10 -16,-2.2 -16,-1.6 -2,-0.9 2,-1.0 -0.710 18.8-139.4 -96.9 142.8 -11.5 65.7 39.4 85 78 A L E +Cd 67 121A 7 35,-1.3 37,-0.6 -2,-0.3 -18,-0.2 -0.823 25.8 175.3 -98.8 98.4 -9.4 62.7 40.2 86 79 A E E - 0 0 76 -20,-2.0 2,-0.3 -2,-1.0 -19,-0.2 0.766 64.7 -7.7 -74.4 -29.1 -9.3 62.7 44.0 87 80 A G E +C 66 0A 8 -21,-1.1 -21,-4.1 2,-0.0 2,-0.3 -0.910 56.0 179.1-170.0 140.6 -7.5 59.5 44.5 88 81 A I E +C 65 0A 42 -2,-0.3 2,-0.3 -23,-0.3 -23,-0.2 -0.961 12.3 168.5-145.5 142.8 -6.3 56.5 42.4 89 82 A F E -C 64 0A 24 -25,-2.3 -25,-2.6 -2,-0.3 2,-0.4 -0.923 13.6-168.3-162.0 133.3 -4.4 53.5 43.7 90 83 A V E -C 63 0A 11 -2,-0.3 -27,-0.3 -27,-0.3 4,-0.2 -0.994 41.5 -96.0-127.9 130.4 -3.5 50.1 42.3 91 84 A L > - 0 0 34 -29,-3.0 3,-1.6 -2,-0.4 4,-0.1 -0.118 37.0-120.3 -45.0 136.3 -2.1 47.2 44.3 92 85 A P G > S+ 0 0 74 0, 0.0 3,-2.3 0, 0.0 2,-1.3 0.920 112.9 60.4 -41.5 -59.2 1.8 47.3 44.0 93 86 A S G 3 S+ 0 0 87 1,-0.3 -2,-0.1 0, 0.0 -31,-0.0 0.068 109.5 42.8 -62.2 23.5 1.8 43.9 42.5 94 87 A F G < S+ 0 0 56 -3,-1.6 5,-0.4 -2,-1.3 -1,-0.3 0.168 83.0 122.9-150.8 11.2 -0.4 45.1 39.6 95 88 A R < + 0 0 112 -3,-2.3 -4,-0.0 1,-0.2 0, 0.0 -0.464 62.2 33.4 -82.7 157.5 1.1 48.4 38.6 96 89 A Q S S+ 0 0 196 -2,-0.1 -1,-0.2 1,-0.0 0, 0.0 0.999 90.0 97.1 62.8 65.6 2.3 49.2 35.1 97 90 A R S S- 0 0 167 -3,-0.1 -2,-0.1 0, 0.0 -1,-0.0 0.158 104.8 -92.1-161.2 7.0 -0.2 47.1 33.3 98 91 A G S > S+ 0 0 25 3,-0.0 4,-2.5 4,-0.0 5,-0.2 0.504 89.1 123.1 87.8 6.1 -2.8 49.7 32.4 99 92 A V H > S+ 0 0 7 -5,-0.4 4,-3.5 2,-0.2 5,-0.2 0.984 81.8 40.1 -63.7 -58.7 -5.0 49.3 35.5 100 93 A A H > S+ 0 0 24 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.866 113.0 60.7 -57.5 -31.5 -4.8 52.9 36.6 101 94 A K H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.950 111.0 36.8 -59.3 -51.5 -5.1 53.7 32.9 102 95 A Q H X S+ 0 0 92 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.906 115.4 55.1 -69.2 -43.6 -8.5 52.0 32.6 103 96 A L H X S+ 0 0 0 -4,-3.5 4,-0.8 1,-0.2 -2,-0.2 0.972 111.1 44.0 -53.3 -54.4 -9.6 53.3 36.0 104 97 A I H >X S+ 0 0 12 -4,-3.4 4,-1.3 1,-0.2 3,-0.8 0.877 111.7 55.8 -58.4 -38.3 -8.8 56.9 35.0 105 98 A A H >X S+ 0 0 49 -4,-2.0 4,-2.5 1,-0.3 3,-0.5 0.931 106.6 48.6 -59.2 -48.0 -10.6 56.2 31.6 106 99 A A H 3X S+ 0 0 25 -4,-3.0 4,-0.6 1,-0.2 -1,-0.3 0.609 109.2 54.1 -67.0 -13.5 -13.7 55.1 33.4 107 100 A V H S+ 0 0 0 -4,-1.3 5,-1.8 2,-0.2 -2,-0.2 0.662 110.3 54.6 -75.7 -21.4 -17.4 62.9 34.0 112 105 A T H ><5S+ 0 0 78 -4,-2.0 3,-3.2 1,-0.2 -2,-0.2 0.968 105.7 51.8 -72.5 -57.7 -18.0 63.3 30.3 113 106 A N T 3<5S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.471 108.4 56.0 -56.4 0.8 -21.6 62.0 30.7 114 107 A K T 3 5S- 0 0 97 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.234 125.6 -95.6-121.5 15.9 -22.0 64.5 33.4 115 108 A G T < 5S+ 0 0 50 -3,-3.2 2,-0.3 1,-0.2 -3,-0.2 0.128 70.7 147.7 96.4 -16.4 -21.1 67.6 31.4 116 109 A C < - 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