==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-OCT-06 2J8R . COMPND 2 MOLECULE: ACETYLTRANSFERASE PA4866 FROM P. AERUGINOSA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.M.DAVIES,R.TATA,R.L.BEAVIL,B.J.SUTTON,P.R.BROWN . 342 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 23.4 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 0.6 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 . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 2 2 0 4 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 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 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 3 A A 0 0 68 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 153.2 25.0 2.4 24.3 2 4 A S E -A 57 0A 67 55,-2.3 55,-2.6 2,-0.0 2,-0.5 -0.861 360.0-133.2-113.0 147.7 21.5 1.8 23.0 3 5 A I E +A 56 0A 50 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.909 38.0 149.1-105.9 127.6 18.4 1.4 25.2 4 6 A R E -A 55 0A 88 51,-2.0 51,-2.9 -2,-0.5 2,-0.1 -0.942 50.6 -79.2-148.7 167.7 16.0 -1.4 24.6 5 7 A D E -A 54 0A 80 -2,-0.3 49,-0.3 49,-0.2 2,-0.1 -0.444 54.2-109.5 -70.0 144.5 13.6 -3.7 26.4 6 8 A A - 0 0 13 47,-3.1 2,-0.3 -2,-0.1 47,-0.1 -0.393 32.3-162.6 -74.9 151.9 15.3 -6.7 28.1 7 9 A G > - 0 0 26 -2,-0.1 3,-1.9 1,-0.0 4,-0.5 -0.790 39.2 -93.8-125.2 170.4 14.9 -10.2 26.8 8 10 A V G > S+ 0 0 81 1,-0.3 3,-1.5 -2,-0.3 -2,-0.0 0.858 123.1 62.0 -54.5 -36.8 15.5 -13.5 28.5 9 11 A A G 3 S+ 0 0 94 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.681 98.4 58.7 -64.5 -16.7 19.0 -13.6 27.1 10 12 A D G <> S+ 0 0 12 -3,-1.9 4,-2.3 1,-0.2 3,-0.3 0.622 82.1 86.6 -86.6 -14.2 19.8 -10.5 29.1 11 13 A L H <> S+ 0 0 2 -3,-1.5 4,-3.2 -4,-0.5 5,-0.2 0.858 82.6 54.3 -58.2 -40.7 19.0 -12.0 32.5 12 14 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 112.6 45.8 -61.2 -37.5 22.4 -13.5 33.2 13 15 A G H > S+ 0 0 27 -3,-0.3 4,-1.8 -4,-0.3 -2,-0.2 0.908 114.2 47.3 -68.0 -42.6 23.9 -10.1 32.6 14 16 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.890 109.4 55.3 -65.1 -40.3 21.2 -8.4 34.8 15 17 A L H X S+ 0 0 30 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.910 106.6 50.1 -59.4 -44.8 21.7 -11.0 37.5 16 18 A A H X S+ 0 0 51 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.919 112.5 46.4 -61.8 -44.8 25.5 -10.3 37.7 17 19 A I H X S+ 0 0 13 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.941 114.1 48.5 -63.1 -46.4 24.9 -6.6 38.0 18 20 A Y H X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.950 113.2 46.1 -58.3 -52.8 22.2 -7.1 40.6 19 21 A N H X S+ 0 0 37 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.817 110.3 53.8 -63.1 -31.1 24.3 -9.5 42.7 20 22 A D H X S+ 0 0 78 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.887 109.0 48.9 -71.1 -35.0 27.3 -7.2 42.5 21 23 A A H X S+ 0 0 9 -4,-2.1 4,-1.9 1,-0.2 7,-0.4 0.900 109.2 54.4 -69.1 -36.9 25.2 -4.4 43.9 22 24 A V H < S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 117.0 35.5 -61.2 -44.2 24.0 -6.7 46.6 23 25 A G H < S+ 0 0 42 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.810 129.2 27.8 -83.5 -27.0 27.5 -7.5 47.7 24 26 A N H < S+ 0 0 121 -4,-2.5 2,-0.2 -5,-0.2 -3,-0.2 0.527 110.4 46.8-115.8 -5.2 29.3 -4.2 47.2 25 27 A T < - 0 0 51 -4,-1.9 3,-0.2 -5,-0.2 0, 0.0 -0.779 62.5-129.8-133.7 176.4 27.0 -1.3 47.5 26 28 A T S S+ 0 0 20 -2,-0.2 96,-0.2 1,-0.1 3,-0.1 0.087 83.6 100.6-108.2 17.6 24.2 0.4 49.5 27 29 A A S S+ 0 0 39 -6,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.832 89.3 33.0 -71.4 -33.0 22.1 0.8 46.4 28 30 A I S S- 0 0 1 -7,-0.4 2,-1.5 -3,-0.2 -1,-0.2 -0.994 78.2-141.5-127.4 126.1 20.0 -2.2 47.3 29 31 A W + 0 0 1 -2,-0.4 219,-3.1 -3,-0.1 2,-0.3 -0.370 69.5 98.4 -89.2 58.7 19.3 -3.1 50.9 30 32 A N - 0 0 21 -2,-1.5 -2,-0.2 217,-0.2 216,-0.0 -0.961 48.7-169.0-135.0 146.7 19.6 -6.8 50.6 31 33 A E + 0 0 80 -2,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.352 65.0 86.8-119.0 1.6 22.7 -8.8 51.5 32 34 A T S S- 0 0 78 0, 0.0 215,-0.1 0, 0.0 -9,-0.0 -0.903 73.5-134.4-107.2 122.8 21.6 -12.1 50.0 33 35 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.328 19.1-141.8 -71.2 156.9 22.3 -12.8 46.3 34 36 A V - 0 0 34 -19,-0.2 2,-0.2 1,-0.0 -15,-0.1 -0.607 9.8-122.9-111.9 174.3 19.6 -14.3 44.1 35 37 A D >> - 0 0 99 -2,-0.2 4,-1.6 1,-0.0 3,-0.6 -0.638 33.4 -94.0-113.3 176.6 19.7 -16.8 41.3 36 38 A L H 3> S+ 0 0 81 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.873 121.7 58.5 -57.8 -39.6 18.7 -16.8 37.6 37 39 A A H 3> S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 102.7 54.4 -58.0 -38.9 15.3 -18.3 38.4 38 40 A N H <> S+ 0 0 63 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.933 111.1 44.9 -60.3 -46.1 14.5 -15.3 40.7 39 41 A R H X S+ 0 0 27 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.853 110.1 54.0 -68.8 -33.0 15.3 -12.9 37.9 40 42 A Q H X S+ 0 0 61 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 109.8 48.2 -66.9 -39.8 13.2 -15.0 35.4 41 43 A A H X S+ 0 0 58 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.917 112.3 48.7 -63.9 -43.5 10.3 -14.8 37.8 42 44 A W H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.903 108.8 54.8 -61.3 -43.2 10.8 -11.0 38.2 43 45 A F H X S+ 0 0 38 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.926 112.9 40.6 -57.4 -49.7 11.0 -10.7 34.4 44 46 A D H X S+ 0 0 60 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.855 112.2 56.2 -70.3 -35.3 7.7 -12.4 33.8 45 47 A A H X S+ 0 0 39 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.905 107.4 48.4 -63.6 -42.6 6.0 -10.6 36.8 46 48 A R H >X>S+ 0 0 41 -4,-2.4 5,-2.4 1,-0.2 3,-0.7 0.917 109.2 52.8 -63.8 -44.9 6.9 -7.1 35.4 47 49 A A H ><5S+ 0 0 66 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.909 104.0 57.7 -57.4 -44.1 5.6 -8.0 31.9 48 50 A R H 3<5S+ 0 0 193 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.818 109.9 44.0 -57.2 -30.2 2.3 -9.1 33.5 49 51 A Q H <<5S- 0 0 81 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.440 114.4-115.2 -93.9 -1.6 1.9 -5.6 35.0 50 52 A G T <<5 + 0 0 46 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.652 68.9 143.3 77.3 14.3 3.0 -3.8 31.9 51 53 A Y < - 0 0 23 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.755 45.5-127.5 -90.4 132.7 6.0 -2.5 33.7 52 54 A P - 0 0 11 0, 0.0 17,-0.8 0, 0.0 2,-0.4 -0.323 13.6-158.0 -80.4 159.8 9.2 -2.3 31.5 53 55 A I E - B 0 68A 12 15,-0.2 -47,-3.1 -47,-0.1 2,-0.3 -0.964 22.0-168.9-134.1 111.6 12.7 -3.6 32.1 54 56 A L E -AB 5 67A 1 13,-3.1 13,-2.3 -2,-0.4 2,-0.4 -0.801 6.7-162.5-107.5 149.0 15.2 -1.7 30.0 55 57 A V E -AB 4 66A 0 -51,-2.9 -51,-2.0 -2,-0.3 2,-0.6 -0.967 16.2-140.4-129.8 146.3 18.8 -2.4 29.3 56 58 A A E -AB 3 65A 0 9,-2.7 8,-3.2 -2,-0.4 9,-0.8 -0.934 36.1-179.4-101.6 121.8 21.7 -0.3 28.0 57 59 A S E -AB 2 63A 3 -55,-2.6 -55,-2.3 -2,-0.6 6,-0.2 -0.875 19.4-144.2-126.7 158.3 23.7 -2.5 25.7 58 60 A D > - 0 0 51 4,-1.0 3,-2.1 -2,-0.3 6,-0.0 -0.451 46.3 -80.6-107.2-176.6 26.8 -2.1 23.5 59 61 A A T 3 S+ 0 0 116 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.800 129.1 56.0 -56.3 -32.1 27.7 -3.5 20.1 60 62 A A T 3 S- 0 0 80 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.545 116.7-114.2 -79.0 -6.2 28.6 -6.9 21.6 61 63 A G < + 0 0 40 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.579 62.4 155.0 84.7 9.7 25.2 -7.1 23.2 62 64 A E - 0 0 90 1,-0.1 -4,-1.0 2,-0.0 2,-0.9 -0.424 50.2-117.1 -72.1 145.3 26.5 -6.9 26.7 63 65 A V E +B 57 0A 10 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.738 35.5 173.9 -84.4 108.5 24.2 -5.6 29.5 64 66 A L E - 0 0 8 -8,-3.2 25,-3.2 -2,-0.9 2,-0.3 0.555 67.4 -26.3 -91.9 -9.9 26.0 -2.4 30.6 65 67 A G E -BC 56 88A 0 -9,-0.8 -9,-2.7 23,-0.3 -1,-0.4 -0.902 59.7-149.4 172.2 162.5 23.1 -1.5 32.9 66 68 A Y E -BC 55 87A 2 21,-2.6 21,-3.1 -2,-0.3 2,-0.3 -0.967 5.8-168.6-148.1 163.6 19.4 -1.9 33.4 67 69 A A E +BC 54 86A 0 -13,-2.3 -13,-3.1 -2,-0.3 2,-0.3 -0.989 13.9 151.3-151.9 154.2 16.4 -0.1 34.8 68 70 A S E -BC 53 85A 0 17,-2.1 17,-2.7 -2,-0.3 2,-0.3 -0.944 22.3-141.3-166.6 176.6 12.8 -0.9 35.7 69 71 A Y E + C 0 84A 2 -17,-0.8 2,-0.3 -2,-0.3 15,-0.2 -0.969 17.2 166.8-150.3 163.5 9.9 0.1 38.0 70 72 A G E - C 0 83A 3 13,-2.1 13,-2.9 -2,-0.3 -24,-0.0 -0.881 49.0 -34.5-157.1-170.9 7.1 -1.5 39.9 71 73 A D E - C 0 82A 88 -2,-0.3 11,-0.2 11,-0.2 8,-0.1 -0.207 40.6-161.7 -59.6 147.3 4.6 -0.8 42.6 72 74 A W S S+ 0 0 19 9,-0.8 -1,-0.1 1,-0.4 10,-0.1 0.868 72.0 12.3 -95.9 -49.4 5.6 1.5 45.4 73 75 A R S S- 0 0 15 8,-0.3 2,-1.9 2,-0.2 -1,-0.4 -0.990 75.8-115.8-134.4 142.7 3.1 0.7 48.2 74 76 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.295 78.9 95.9 -74.0 54.3 0.6 -2.2 48.6 75 77 A F S > S- 0 0 30 -2,-1.9 3,-2.0 1,-0.1 -2,-0.2 -0.995 77.8-122.0-142.7 144.7 -2.7 -0.2 48.4 76 78 A E G > S+ 0 0 66 -2,-0.3 3,-1.8 1,-0.3 125,-0.2 0.832 107.4 67.9 -52.6 -38.4 -5.1 0.6 45.5 77 79 A G G 3 S+ 0 0 2 123,-3.4 242,-0.8 1,-0.3 3,-0.3 0.639 93.9 57.5 -60.2 -15.9 -4.7 4.3 46.1 78 80 A F G X + 0 0 5 -3,-2.0 3,-2.4 122,-0.3 -6,-0.3 0.272 68.3 112.1 -99.5 12.9 -1.0 4.2 45.0 79 81 A R T < S+ 0 0 126 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.641 74.6 56.3 -61.9 -14.2 -1.7 2.8 41.5 80 82 A G T 3 S+ 0 0 8 -3,-0.3 36,-2.4 237,-0.2 35,-2.3 0.403 100.4 74.9 -95.6 3.0 -0.6 6.0 39.8 81 83 A T E < - d 0 116A 1 -3,-2.4 -9,-0.8 34,-0.2 2,-0.3 -0.953 57.9-178.9-121.1 131.7 2.8 5.8 41.6 82 84 A V E -Cd 71 117A 0 34,-2.3 36,-3.0 -2,-0.4 2,-0.5 -0.924 20.5-137.8-126.2 152.8 5.7 3.5 40.8 83 85 A E E -Cd 70 118A 7 -13,-2.9 -13,-2.1 -2,-0.3 2,-0.2 -0.937 26.0-155.4-108.7 129.9 9.1 3.1 42.4 84 86 A H E -C 69 0A 7 34,-2.2 36,-0.5 -2,-0.5 2,-0.3 -0.587 10.2-158.2-105.6 167.6 12.0 2.7 40.0 85 87 A S E -C 68 0A 11 -17,-2.7 -17,-2.1 258,-0.2 2,-0.4 -0.992 5.5-172.2-141.3 142.2 15.5 1.1 40.1 86 88 A V E -C 67 0A 42 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.987 3.5-177.9-140.2 124.8 18.5 1.8 37.9 87 89 A Y E -C 66 0A 16 -21,-3.1 -21,-2.6 -2,-0.4 2,-0.4 -0.986 5.9-166.9-128.8 124.5 21.7 -0.1 38.0 88 90 A V E -C 65 0A 41 -2,-0.4 -23,-0.3 -23,-0.3 5,-0.1 -0.894 36.0-102.5-108.6 138.7 24.8 0.6 35.9 89 91 A R > - 0 0 58 -25,-3.2 3,-2.1 -2,-0.4 4,-0.1 -0.299 34.8-117.3 -58.7 141.7 27.6 -1.9 35.6 90 92 A D T 3 S+ 0 0 79 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.661 111.4 50.2 -59.4 -18.6 30.5 -1.0 37.8 91 93 A D T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -27,-0.1 -2,-0.1 0.448 103.1 64.9 -96.9 -0.8 33.0 -0.5 35.0 92 94 A Q X + 0 0 30 -3,-2.1 3,-0.9 -28,-0.2 5,-0.4 0.139 69.2 127.5-109.7 20.4 30.7 1.8 33.1 93 95 A R T 3 + 0 0 174 -3,-0.4 -3,-0.0 1,-0.2 -4,-0.0 -0.362 63.7 34.0 -77.4 155.2 30.3 4.7 35.4 94 96 A G T 3 S+ 0 0 87 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 0.596 91.2 99.4 78.5 10.7 30.9 8.3 34.1 95 97 A K S < S- 0 0 136 -3,-0.9 -2,-0.1 0, 0.0 -1,-0.1 0.140 95.8-113.5-114.0 17.5 29.5 7.3 30.7 96 98 A G S > S+ 0 0 41 1,-0.1 4,-1.9 3,-0.1 5,-0.1 0.645 74.6 133.0 62.6 19.6 26.0 8.8 31.3 97 99 A L H > + 0 0 7 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.819 68.7 56.1 -70.4 -30.7 24.3 5.4 31.2 98 100 A G H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 109.4 45.3 -65.7 -44.7 22.3 6.2 34.3 99 101 A V H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 113.1 51.6 -63.5 -43.6 20.8 9.3 32.8 100 102 A Q H X S+ 0 0 63 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.930 113.5 43.5 -59.1 -48.7 20.1 7.5 29.5 101 103 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 115.1 48.1 -64.6 -45.2 18.3 4.7 31.3 102 104 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.908 109.9 51.6 -65.0 -41.7 16.3 7.0 33.6 103 105 A Q H X S+ 0 0 95 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.906 112.6 46.7 -61.5 -40.1 15.2 9.3 30.8 104 106 A A H X S+ 0 0 25 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.890 111.5 51.0 -67.8 -40.0 14.0 6.3 28.8 105 107 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.893 107.2 54.3 -65.2 -39.8 12.2 4.9 31.9 106 108 A I H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.903 107.1 50.4 -61.2 -42.5 10.5 8.3 32.5 107 109 A E H X S+ 0 0 139 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.889 110.9 49.0 -64.6 -37.8 9.1 8.3 29.0 108 110 A R H X S+ 0 0 89 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.923 111.4 49.5 -66.7 -44.3 7.7 4.8 29.4 109 111 A A H <>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-0.3 0.903 111.7 48.1 -61.7 -42.1 6.1 5.7 32.7 110 112 A R H ><5S+ 0 0 118 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.903 111.2 50.9 -66.1 -39.9 4.5 8.8 31.3 111 113 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.770 103.5 58.8 -68.2 -27.0 3.2 6.8 28.3 112 114 A Q T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.534 119.7-110.7 -79.6 -5.8 1.7 4.2 30.6 113 115 A G T < 5 + 0 0 64 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.662 63.8 155.2 85.8 16.9 -0.4 6.9 32.1 114 116 A L < - 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