==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JAN-04 1S5K . 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 . 287 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 26.1 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 . 2 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 25.4 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+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 1 0 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 2 0 5 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 0 0 0 0 0 0 0 1 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 -7 A G 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.0 -13.6 46.4 26.2 2 -6 A L + 0 0 168 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.695 360.0 43.6 -84.3 -24.8 -13.8 50.2 25.4 3 -5 A V S S- 0 0 115 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.784 77.6-143.7-130.4 91.8 -10.1 50.7 24.7 4 -4 A P - 0 0 101 0, 0.0 3,-0.4 0, 0.0 2,-0.3 -0.212 25.2-133.3 -48.7 140.0 -8.3 48.1 22.5 5 -3 A R S S+ 0 0 237 1,-0.2 5,-0.0 2,-0.1 -2,-0.0 -0.745 74.2 9.0-103.2 145.9 -4.6 47.6 23.7 6 -2 A G S S+ 0 0 37 -2,-0.3 -1,-0.2 3,-0.1 4,-0.1 0.870 70.6 156.7 56.4 39.6 -1.4 47.5 21.7 7 -1 A S S S- 0 0 76 -3,-0.4 3,-0.1 1,-0.1 -1,-0.1 0.814 83.7 -1.6 -66.4 -30.3 -3.2 48.7 18.5 8 0 A H S S+ 0 0 124 1,-0.4 51,-3.1 51,-0.1 2,-0.5 0.659 135.8 43.3-130.6 -34.2 0.1 50.0 17.2 9 1 A M E S+A 58 0A 39 49,-0.2 2,-0.4 50,-0.1 -1,-0.4 -0.980 72.0 175.6-115.1 117.9 2.9 49.5 19.6 10 2 A D E -A 57 0A 62 47,-2.8 47,-2.4 -2,-0.5 2,-0.6 -0.981 25.7-142.3-131.4 129.8 2.7 46.0 21.2 11 3 A I E -A 56 0A 32 -2,-0.4 2,-0.4 45,-0.2 45,-0.2 -0.777 27.5-176.7 -91.4 122.9 5.1 44.2 23.6 12 4 A R E -A 55 0A 101 43,-3.2 43,-3.1 -2,-0.6 2,-0.3 -0.887 31.7-115.7-121.2 145.4 5.4 40.5 22.8 13 5 A Q E -A 54 0A 109 -2,-0.4 41,-0.3 41,-0.2 39,-0.0 -0.639 49.7-105.1 -74.0 133.6 7.3 37.7 24.5 14 6 A M + 0 0 8 39,-3.0 2,-0.3 -2,-0.3 39,-0.2 -0.305 46.0 172.7 -61.2 140.3 9.9 36.5 22.0 15 7 A N >> - 0 0 72 -3,-0.0 3,-1.8 -2,-0.0 4,-0.6 -0.801 52.6 -79.1-134.7 179.4 9.3 33.2 20.1 16 8 A K G >4 S+ 0 0 169 1,-0.3 3,-1.0 -2,-0.3 4,-0.3 0.792 124.4 62.6 -54.3 -31.1 11.1 31.5 17.2 17 9 A T G 34 S+ 0 0 103 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.732 102.0 50.3 -69.7 -20.5 9.5 33.8 14.6 18 10 A H G <> S+ 0 0 10 -3,-1.8 4,-2.5 1,-0.2 5,-0.3 0.558 80.3 102.3 -90.1 -7.7 11.1 36.9 16.1 19 11 A L H S+ 0 0 92 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.931 116.7 42.1 -66.2 -48.2 16.0 37.2 13.0 21 13 A H H > S+ 0 0 117 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.905 113.8 52.4 -68.1 -36.9 14.7 40.7 13.9 22 14 A W H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 3,-0.3 0.960 111.0 48.0 -60.2 -48.1 15.7 40.4 17.6 23 15 A R H X S+ 0 0 48 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.909 106.4 58.2 -57.1 -43.5 19.1 39.5 16.4 24 16 A G H < S+ 0 0 26 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.853 114.3 38.3 -55.9 -37.0 19.1 42.5 14.0 25 17 A L H >X S+ 0 0 10 -4,-1.8 3,-1.5 -3,-0.3 4,-1.1 0.878 109.7 58.5 -82.7 -39.9 18.5 44.7 16.9 26 18 A R H 3X S+ 0 0 22 -4,-3.3 4,-3.6 1,-0.3 -2,-0.2 0.786 97.3 62.6 -63.2 -29.1 20.8 43.0 19.4 27 19 A K H 3< S+ 0 0 87 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.730 103.5 51.1 -64.5 -26.0 23.8 43.5 17.1 28 20 A Q H <4 S+ 0 0 100 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.748 113.5 42.5 -84.0 -26.7 23.2 47.2 17.6 29 21 A L H < S+ 0 0 49 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.928 131.2 24.9 -77.0 -48.2 23.1 46.9 21.4 30 22 A W S >< S- 0 0 87 -4,-3.6 3,-0.6 -5,-0.1 -1,-0.2 -0.759 78.8-169.7-123.9 82.2 26.1 44.5 21.4 31 23 A P T 3 + 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.340 63.9 53.6 -67.1 147.9 28.4 44.9 18.3 32 24 A G T 3 S+ 0 0 79 1,-0.3 -5,-0.1 -5,-0.1 0, 0.0 0.384 76.0 111.1 108.9 -6.1 31.1 42.2 17.8 33 25 A H < - 0 0 100 -3,-0.6 -1,-0.3 -6,-0.1 -3,-0.1 -0.886 66.7-120.4-109.5 131.5 29.1 39.0 17.9 34 26 A P > - 0 0 79 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.213 30.6-109.3 -59.3 155.4 28.6 36.8 14.8 35 27 A D H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.778 120.7 64.0 -58.4 -21.4 25.0 36.2 13.8 36 28 A D H > S+ 0 0 130 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 99.4 46.1 -58.7 -59.8 25.9 32.7 15.1 37 29 A A H > S+ 0 0 33 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.888 112.5 51.3 -57.7 -41.1 26.4 33.6 18.6 38 30 A H H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.908 111.8 49.1 -65.2 -37.2 23.2 35.7 18.7 39 31 A L H X S+ 0 0 53 -4,-1.6 4,-2.8 -5,-0.2 -2,-0.2 0.905 109.7 48.4 -67.2 -43.9 21.4 32.8 17.3 40 32 A A H X S+ 0 0 52 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.949 112.8 50.4 -61.7 -46.9 22.8 30.3 19.9 41 33 A D H X S+ 0 0 68 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.902 110.0 51.1 -53.9 -46.3 21.8 32.9 22.6 42 34 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.913 110.0 47.8 -61.2 -47.7 18.3 33.1 21.1 43 35 A E H X S+ 0 0 108 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.905 112.9 49.7 -61.4 -39.4 17.9 29.3 21.1 44 36 A E H X S+ 0 0 89 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.950 111.2 48.6 -63.9 -46.5 19.1 29.1 24.7 45 37 A I H < S+ 0 0 16 -4,-3.0 3,-0.4 1,-0.2 6,-0.2 0.933 111.8 49.8 -58.0 -47.3 16.7 31.9 25.8 46 38 A L H < S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 116.0 40.4 -59.6 -43.7 13.8 30.1 24.0 47 39 A Q H < S+ 0 0 145 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 0.608 98.7 86.4 -85.2 -11.3 14.4 26.7 25.6 48 40 A A >< - 0 0 16 -4,-1.5 3,-1.1 -3,-0.4 -4,-0.0 -0.770 65.1-146.8 -99.9 135.7 15.3 27.8 29.2 49 41 A D T 3 S+ 0 0 123 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.798 97.0 50.2 -66.8 -32.3 12.7 28.3 31.8 50 42 A H T 3 S+ 0 0 62 19,-0.1 20,-2.8 20,-0.1 2,-0.4 0.314 102.6 77.9 -88.0 9.7 14.6 31.2 33.7 51 43 A L E < + B 0 69A 32 -3,-1.1 2,-0.3 -6,-0.2 18,-0.2 -0.933 50.3 154.2-123.8 142.0 15.2 33.1 30.5 52 44 A A E - B 0 68A 2 16,-2.2 16,-3.4 -2,-0.4 2,-0.3 -0.966 20.5-156.7-161.9 149.8 13.0 35.4 28.4 53 45 A S E - B 0 67A 2 -2,-0.3 -39,-3.0 14,-0.3 2,-0.4 -0.906 11.5-145.3-126.1 156.8 13.1 38.2 25.9 54 46 A F E -AB 13 66A 12 12,-3.1 12,-2.4 -2,-0.3 2,-0.5 -0.978 7.6-152.5-130.1 136.5 10.5 40.8 25.0 55 47 A I E -AB 12 65A 0 -43,-3.1 -43,-3.2 -2,-0.4 2,-0.6 -0.931 7.1-145.4-114.5 127.3 10.0 42.4 21.6 56 48 A A E -AB 11 64A 0 8,-3.0 7,-3.4 -2,-0.5 8,-0.9 -0.851 20.6-164.7 -94.5 120.0 8.5 45.8 20.9 57 49 A M E -AB 10 62A 14 -47,-2.4 -47,-2.8 -2,-0.6 2,-0.7 -0.921 11.0-165.2-110.0 120.1 6.5 45.8 17.7 58 50 A A E > S-AB 9 61A 15 3,-3.4 3,-1.5 -2,-0.5 -49,-0.2 -0.936 84.4 -26.7-106.3 112.1 5.4 49.0 15.9 59 51 A D T 3 S- 0 0 119 -51,-3.1 -1,-0.2 -2,-0.7 -50,-0.1 0.928 132.3 -43.6 46.6 49.5 2.7 48.1 13.4 60 52 A G T 3 S+ 0 0 47 -52,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.495 117.8 109.4 79.9 5.7 4.2 44.6 13.2 61 53 A V E < S-B 58 0A 94 -3,-1.5 -3,-3.4 -40,-0.0 2,-0.3 -0.966 70.3-118.8-122.3 130.4 7.9 45.6 13.1 62 54 A A E +B 57 0A 13 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.456 39.8 160.4 -68.9 120.8 10.4 45.0 15.9 63 55 A I E + 0 0 6 -7,-3.4 29,-2.8 -2,-0.3 2,-0.3 0.345 63.8 5.8-123.6 5.9 11.8 48.3 17.1 64 56 A G E -BC 56 91A 0 -8,-0.9 -8,-3.0 27,-0.3 2,-0.3 -0.958 58.9-170.7-174.7 164.5 13.1 47.4 20.5 65 57 A F E -BC 55 90A 0 25,-2.5 25,-2.2 -2,-0.3 2,-0.4 -0.991 11.6-149.6-160.6 162.9 13.7 44.4 22.8 66 58 A A E -BC 54 89A 0 -12,-2.4 -12,-3.1 -2,-0.3 2,-0.5 -0.992 9.3-151.7-142.2 135.2 14.7 43.5 26.3 67 59 A D E +BC 53 88A 7 21,-2.2 20,-1.6 -2,-0.4 21,-1.3 -0.911 25.6 176.2-103.8 129.7 16.5 40.3 27.4 68 60 A A E -BC 52 86A 3 -16,-3.4 -16,-2.2 -2,-0.5 2,-0.3 -0.866 13.2-167.8-131.6 168.0 15.7 39.2 30.9 69 61 A S E -BC 51 85A 2 16,-1.6 16,-2.8 -2,-0.3 2,-0.9 -0.991 29.4-123.7-150.9 155.3 16.5 36.4 33.3 70 62 A I E - C 0 84A 6 -20,-2.8 2,-0.5 -2,-0.3 14,-0.2 -0.896 40.3-155.8 -97.1 103.6 15.4 34.9 36.6 71 63 A R E + C 0 83A 4 12,-3.3 12,-2.3 -2,-0.9 4,-0.1 -0.749 26.3 176.3 -87.7 129.9 18.7 35.0 38.4 72 64 A H + 0 0 117 -2,-0.5 -1,-0.2 10,-0.2 3,-0.1 0.585 60.0 91.8-101.1 -16.6 19.3 32.6 41.3 73 65 A D S S- 0 0 15 1,-0.2 10,-0.2 10,-0.1 134,-0.1 -0.269 100.2 -79.6 -68.1 166.3 22.9 33.7 41.8 74 66 A Y - 0 0 104 7,-0.1 2,-0.5 8,-0.1 -1,-0.2 -0.399 48.5-151.5 -61.7 141.7 23.5 36.5 44.3 75 67 A V > - 0 0 3 5,-0.2 3,-2.1 3,-0.2 5,-0.1 -0.982 23.8-106.2-123.3 119.7 22.7 39.8 42.6 76 68 A N T 3 S+ 0 0 2 -2,-0.5 68,-0.1 1,-0.3 67,-0.1 -0.124 101.8 11.8 -41.8 127.5 24.6 42.9 43.8 77 69 A G T 3 S+ 0 0 17 1,-0.2 2,-0.4 66,-0.1 -1,-0.3 0.505 99.6 114.6 82.5 3.8 22.3 45.1 45.8 78 70 A C < - 0 0 10 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.2 -0.856 48.3-162.1-111.9 148.1 19.4 42.8 46.3 79 71 A D S S+ 0 0 152 -2,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.546 72.6 52.2 -99.0 -10.5 18.2 41.2 49.6 80 72 A S S S- 0 0 24 -5,-0.1 -5,-0.2 2,-0.0 -2,-0.1 -0.734 77.6-101.1-124.3 176.0 16.2 38.4 48.1 81 73 A S S S+ 0 0 57 -2,-0.2 2,-0.1 1,-0.1 -9,-0.1 -0.987 85.5 31.0-152.6 137.9 16.4 35.5 45.7 82 74 A P S S- 0 0 19 0, 0.0 36,-0.7 0, 0.0 37,-0.5 0.556 73.7-166.8 -76.2 169.0 15.5 34.9 42.8 83 75 A V E -C 71 0A 0 -12,-2.3 -12,-3.3 -10,-0.2 2,-0.8 -0.932 22.1-129.1-124.5 143.1 15.8 38.3 41.1 84 76 A V E -Cd 70 120A 0 35,-2.4 37,-2.3 -2,-0.3 2,-0.4 -0.863 34.8-163.0 -96.0 115.5 14.4 39.3 37.7 85 77 A F E -Cd 69 121A 1 -16,-2.8 -16,-1.6 -2,-0.8 2,-1.1 -0.841 22.3-136.4-105.6 134.8 17.3 40.9 36.0 86 78 A L E -C 68 0A 5 35,-3.1 37,-0.5 -2,-0.4 -18,-0.2 -0.759 23.5-177.3 -86.0 100.2 17.3 43.1 32.9 87 79 A E E - 0 0 46 -20,-1.6 2,-0.3 -2,-1.1 -19,-0.2 0.743 64.5 -19.8 -73.3 -22.0 20.2 41.6 31.0 88 80 A G E -C 67 0A 10 -21,-1.3 -21,-2.2 -3,-0.1 2,-0.3 -0.905 56.0-166.4-178.7 151.5 19.9 44.2 28.2 89 81 A I E +C 66 0A 42 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.976 10.1 173.3-153.1 137.5 17.5 46.6 26.6 90 82 A F E -C 65 0A 20 -25,-2.2 -25,-2.5 -2,-0.3 2,-0.4 -0.997 10.3-173.7-149.9 140.9 17.6 48.5 23.3 91 83 A V E -C 64 0A 12 -2,-0.3 -27,-0.3 -27,-0.3 5,-0.1 -0.999 40.0-103.0-134.5 128.4 15.2 50.8 21.3 92 84 A L > - 0 0 43 -29,-2.8 3,-2.7 -2,-0.4 4,-0.3 -0.271 34.3-117.6 -50.2 139.1 15.9 52.0 17.8 93 85 A P G > S+ 0 0 85 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.886 113.4 59.9 -45.8 -49.2 17.1 55.7 17.9 94 86 A S G 3 S+ 0 0 95 1,-0.3 -2,-0.1 -31,-0.0 -31,-0.0 0.626 108.5 43.8 -63.8 -8.0 14.1 56.7 15.9 95 87 A F G < S+ 0 0 54 -3,-2.7 5,-0.4 -32,-0.2 3,-0.4 0.278 85.9 121.2-118.0 11.0 11.7 55.4 18.5 96 88 A R < + 0 0 116 -3,-1.9 -4,-0.0 -4,-0.3 0, 0.0 -0.247 63.6 30.7 -74.7 165.2 13.3 56.6 21.7 97 89 A Q S S+ 0 0 202 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.863 90.7 101.7 56.9 42.3 11.6 58.9 24.3 98 90 A R S S- 0 0 181 -3,-0.4 -2,-0.1 0, 0.0 -1,-0.1 0.223 101.3 -97.9-134.3 9.9 8.2 57.5 23.5 99 91 A G S > S+ 0 0 32 3,-0.0 4,-1.9 4,-0.0 5,-0.2 0.449 85.5 125.4 87.5 2.4 7.8 55.1 26.4 100 92 A V H > S+ 0 0 4 -5,-0.4 4,-2.6 1,-0.2 3,-0.3 0.959 75.6 45.6 -57.8 -55.3 8.9 52.0 24.6 101 93 A A H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.911 108.4 61.2 -58.1 -35.7 11.6 51.0 27.1 102 94 A K H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 108.1 41.5 -55.0 -46.5 9.1 51.8 29.8 103 95 A Q H X S+ 0 0 88 -4,-1.9 4,-2.7 -3,-0.3 -1,-0.2 0.864 111.4 54.9 -70.8 -37.1 6.8 49.1 28.5 104 96 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.947 112.7 44.8 -61.7 -41.7 9.5 46.5 27.8 105 97 A I H X S+ 0 0 8 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.913 110.2 53.0 -71.2 -42.3 10.6 46.9 31.4 106 98 A A H X S+ 0 0 53 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.933 110.8 48.9 -58.5 -41.8 7.1 46.8 32.8 107 99 A A H X S+ 0 0 22 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.878 111.4 48.9 -66.4 -31.5 6.7 43.5 30.8 108 100 A V H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.962 111.5 50.5 -70.2 -44.6 9.9 42.1 32.2 109 101 A Q H X S+ 0 0 41 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.930 110.0 49.0 -55.2 -50.7 8.8 43.1 35.7 110 102 A R H X S+ 0 0 169 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.921 111.3 48.5 -59.0 -47.3 5.5 41.4 35.3 111 103 A W H X S+ 0 0 23 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.947 111.9 52.7 -60.3 -41.3 7.1 38.1 34.0 112 104 A G H ><>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 3,-1.5 0.946 108.0 48.7 -58.2 -51.3 9.6 38.3 37.0 113 105 A T H ><5S+ 0 0 59 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.931 106.7 54.7 -56.2 -48.7 6.9 38.6 39.6 114 106 A N H 3<5S+ 0 0 114 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.638 107.9 54.4 -62.0 -10.3 4.9 35.7 38.2 115 107 A K T <<5S- 0 0 76 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.274 128.8 -93.3-108.8 17.5 8.1 33.7 38.6 116 108 A G T < 5S+ 0 0 43 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.617 73.8 145.5 88.3 14.7 8.6 34.5 42.2 117 109 A C < - 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