==== 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 11-DEC-07 3BLN . COMPND 2 MOLECULE: ACETYLTRANSFERASE GNAT FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 26.8 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 1.4 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 . 5 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 0 0 1 1 1 2 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 0 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 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 G 0 0 56 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.2 15.0 9.6 26.8 2 1 A X - 0 0 170 1,-0.0 46,-0.7 2,-0.0 2,-0.3 -0.620 360.0-147.7 -79.0 131.4 12.2 11.8 27.8 3 2 A K E -A 47 0A 67 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.648 15.9-177.4 -92.6 155.3 13.1 15.5 27.9 4 3 A N E -A 46 0A 86 42,-1.7 42,-2.9 -2,-0.3 2,-0.4 -0.964 11.4-151.4-147.5 150.6 11.8 18.1 30.2 5 4 A V E +A 45 0A 39 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.939 27.1 147.0-121.3 140.4 12.4 21.8 30.5 6 5 A T E -A 44 0A 62 38,-2.2 38,-3.0 -2,-0.4 2,-0.2 -0.987 51.6 -73.8-164.0 163.7 12.1 23.9 33.6 7 6 A K E -A 43 0A 120 -2,-0.3 36,-0.3 36,-0.2 2,-0.1 -0.454 55.2-121.2 -63.2 133.6 13.5 26.9 35.5 8 7 A A - 0 0 6 34,-2.7 2,-0.3 -2,-0.2 34,-0.2 -0.384 22.0-155.8 -72.5 154.3 16.9 26.1 36.9 9 8 A S > - 0 0 61 -2,-0.1 3,-2.1 1,-0.0 4,-0.3 -0.792 37.5 -96.3-118.7 175.5 17.8 26.3 40.6 10 9 A I G > S+ 0 0 90 1,-0.3 3,-1.7 -2,-0.3 4,-0.4 0.816 119.8 69.2 -64.0 -26.6 21.1 26.9 42.3 11 10 A D G 3 S+ 0 0 138 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.768 96.4 55.4 -56.5 -26.0 21.5 23.1 42.7 12 11 A D G <> S+ 0 0 22 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.513 80.7 92.6 -85.1 -8.9 21.9 22.9 38.9 13 12 A L H <> S+ 0 0 7 -3,-1.7 4,-2.9 -4,-0.3 5,-0.3 0.898 82.1 50.5 -60.7 -47.4 24.8 25.4 38.6 14 13 A D H > S+ 0 0 121 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.957 114.0 45.4 -64.5 -36.4 27.7 22.9 38.8 15 14 A S H > S+ 0 0 60 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.916 113.2 50.6 -67.4 -42.6 26.2 20.7 36.1 16 15 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.928 111.1 47.3 -59.2 -49.2 25.4 23.7 33.9 17 16 A V H X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.880 105.7 59.9 -66.0 -29.7 28.9 25.1 34.2 18 17 A H H X S+ 0 0 115 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.926 106.5 47.5 -64.1 -41.6 30.3 21.7 33.4 19 18 A I H >X S+ 0 0 8 -4,-1.9 4,-1.5 1,-0.2 3,-0.5 0.951 111.1 51.6 -56.0 -48.8 28.5 21.9 30.1 20 19 A D H 3X>S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.6 0.848 101.6 59.1 -63.2 -33.3 29.8 25.4 29.5 21 20 A I H 3X5S+ 0 0 64 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.890 108.0 48.5 -61.4 -33.7 33.4 24.3 30.1 22 21 A D H <<5S+ 0 0 84 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.846 116.0 42.9 -71.4 -36.1 32.9 21.8 27.2 23 22 A V H <5S+ 0 0 62 -4,-1.5 -2,-0.2 3,-0.1 -3,-0.2 0.934 131.2 17.9 -79.4 -47.1 31.4 24.5 24.9 24 23 A I H <5S- 0 0 58 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.592 102.2-113.4-105.1 -12.9 33.7 27.5 25.6 25 24 A G S < S+ 0 0 95 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.078 74.9 123.4 -95.6 24.1 34.4 28.4 33.6 28 27 A S T 3 S+ 0 0 84 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.705 73.7 49.6 -62.1 -21.0 34.6 32.0 32.6 29 28 A R T 3> S+ 0 0 69 -3,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.378 79.6 102.9 -98.7 7.9 30.8 32.3 32.3 30 29 A R H <> S+ 0 0 82 -3,-2.2 4,-3.0 1,-0.2 5,-0.2 0.899 81.7 47.3 -56.2 -45.4 30.1 30.7 35.7 31 30 A N H > S+ 0 0 121 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.894 111.5 50.5 -68.7 -37.2 29.4 34.1 37.5 32 31 A Y H > S+ 0 0 86 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 114.8 43.8 -59.9 -47.2 27.1 35.2 34.7 33 32 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.918 112.4 52.1 -66.1 -43.3 25.2 32.0 34.8 34 33 A K H X S+ 0 0 73 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.933 110.9 48.2 -57.4 -48.2 25.1 32.0 38.7 35 34 A H H X S+ 0 0 89 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.894 109.2 54.1 -60.2 -40.5 23.7 35.5 38.6 36 35 A S H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 6,-0.4 0.946 110.2 45.4 -58.9 -47.9 21.1 34.5 36.1 37 36 A I H ><5S+ 0 0 13 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.925 108.9 56.6 -61.1 -42.0 20.0 31.6 38.3 38 37 A D H 3<5S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 112.4 43.0 -57.1 -37.2 19.9 34.0 41.3 39 38 A E T 3<5S- 0 0 108 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.341 117.1-111.7 -89.7 1.4 17.5 36.2 39.3 40 39 A G T < 5S+ 0 0 17 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.719 83.1 122.0 75.5 26.5 15.4 33.4 38.0 41 40 A R < + 0 0 15 -5,-3.0 16,-1.6 -6,-0.2 2,-0.4 0.131 45.5 91.2-109.7 15.2 16.6 33.9 34.4 42 41 A C E - B 0 56A 1 -6,-0.4 -34,-2.7 -34,-0.2 2,-0.4 -0.943 50.4-169.6-123.4 133.2 18.0 30.4 33.7 43 42 A V E -AB 7 55A 3 12,-2.8 12,-2.5 -2,-0.4 2,-0.3 -0.939 5.6-158.9-120.8 142.1 16.2 27.5 32.1 44 43 A I E -AB 6 54A 2 -38,-3.0 -38,-2.2 -2,-0.4 2,-0.4 -0.911 10.0-150.5-120.1 150.6 17.4 23.8 31.8 45 44 A V E -AB 5 53A 0 8,-2.2 7,-3.1 -2,-0.3 8,-1.3 -0.985 23.4-168.6-114.8 131.4 16.6 20.9 29.6 46 45 A K E +AB 4 51A 54 -42,-2.9 -42,-1.7 -2,-0.4 2,-0.3 -0.868 14.3 177.2-120.5 153.8 17.0 17.5 31.2 47 46 A E E > S+AB 3 50A 10 3,-2.2 3,-1.5 -2,-0.3 -44,-0.2 -0.955 71.4 0.3-151.2 133.7 17.0 13.9 29.9 48 47 A D T 3 S- 0 0 121 -46,-0.7 3,-0.1 -2,-0.3 -45,-0.1 0.858 129.6 -53.7 56.0 39.8 17.7 10.7 31.9 49 48 A N T 3 S+ 0 0 149 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.601 119.5 92.8 73.6 15.2 18.2 12.4 35.2 50 49 A S E < S-B 47 0A 62 -3,-1.5 -3,-2.2 -35,-0.0 2,-0.4 -0.954 80.6-103.5-137.2 157.9 20.9 14.8 33.9 51 50 A I E +B 46 0A 21 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.680 30.9 179.6 -82.4 131.2 21.0 18.3 32.5 52 51 A S E - 0 0 1 -7,-3.1 21,-3.0 -2,-0.4 2,-0.3 0.571 61.6 -18.8-106.0 -19.7 21.5 18.3 28.7 53 52 A G E -BC 45 72A 0 -8,-1.3 -8,-2.2 19,-0.3 -1,-0.3 -0.970 56.8-147.4-177.6 173.1 21.5 22.0 28.0 54 53 A F E -BC 44 71A 0 17,-2.7 17,-2.9 -2,-0.3 2,-0.3 -0.981 1.6-153.2-156.9 161.8 20.6 25.5 29.3 55 54 A L E -BC 43 70A 0 -12,-2.5 -12,-2.8 -2,-0.3 2,-0.3 -0.992 5.7-166.9-139.4 141.2 19.4 28.9 28.4 56 55 A T E +BC 42 69A 0 13,-1.8 13,-1.4 -2,-0.3 12,-1.2 -0.941 12.9 176.1-121.5 155.0 19.8 32.3 30.0 57 56 A Y E - C 0 67A 34 -16,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.959 13.2-165.9-147.5 166.3 18.0 35.5 29.2 58 57 A D E - C 0 66A 38 8,-1.8 8,-2.7 -2,-0.3 3,-0.1 -0.900 25.1-131.4-146.5 170.3 17.6 39.2 30.2 59 58 A T E S+ 0 0 55 -2,-0.3 6,-0.2 6,-0.3 4,-0.1 -0.033 78.4 98.1-114.4 31.5 15.1 41.9 29.5 60 59 A N E + 0 0 119 3,-0.1 2,-0.7 6,-0.1 5,-0.1 -0.075 44.8 106.2-117.9 32.7 17.5 44.6 28.6 61 60 A F E > S- C 0 64A 50 3,-1.8 3,-1.9 -3,-0.1 -1,-0.1 -0.867 117.2 -39.4-110.6 92.8 17.6 44.6 24.8 62 61 A F T 3 S- 0 0 174 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.900 116.7 -56.1 50.1 41.4 15.6 47.6 23.8 63 62 A D T 3 S+ 0 0 147 1,-0.2 2,-0.3 -4,-0.1 -1,-0.3 0.580 119.5 110.0 68.0 16.3 13.3 46.7 26.7 64 63 A C E < S-C 61 0A 20 -3,-1.9 -3,-1.8 31,-0.1 -1,-0.2 -0.786 77.9 -91.1-116.7 158.2 12.7 43.2 25.2 65 64 A T E - d 0 98A 0 32,-1.1 34,-2.7 -2,-0.3 2,-0.4 -0.484 39.0-168.6 -62.9 132.9 13.8 39.7 26.2 66 65 A F E -Cd 58 99A 35 -8,-2.7 -8,-1.8 32,-0.2 2,-1.0 -0.999 21.0-136.3-127.9 129.8 17.0 38.6 24.7 67 66 A L E -C 57 0A 2 32,-2.6 34,-0.5 -2,-0.4 -10,-0.3 -0.742 26.6-179.7 -88.0 100.6 18.1 35.0 24.9 68 67 A S E + 0 0 43 -12,-1.2 2,-0.3 -2,-1.0 -11,-0.2 0.720 63.8 23.5 -85.5 -24.7 21.8 35.5 25.8 69 68 A L E +C 56 0A 18 -13,-1.4 -13,-1.8 2,-0.0 2,-0.4 -0.983 52.6 174.8-141.4 134.1 23.0 31.8 26.0 70 69 A I E +C 55 0A 21 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.912 24.4 172.1-137.7 98.6 21.5 28.8 24.3 71 70 A I E -C 54 0A 17 -17,-2.9 -17,-2.7 -2,-0.4 2,-0.4 -0.969 18.6-172.5-126.1 126.7 23.8 25.9 25.1 72 71 A V E -C 53 0A 44 -2,-0.4 -19,-0.3 -19,-0.2 -2,-0.0 -0.933 37.5-103.1-116.3 139.2 23.5 22.2 24.5 73 72 A S > - 0 0 11 -21,-3.0 3,-1.9 -2,-0.4 -54,-0.1 -0.345 23.0-133.2 -56.7 132.3 26.0 19.6 25.8 74 73 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -22,-0.0 0.533 101.6 73.6 -66.8 -2.2 28.4 18.4 23.1 75 74 A T T 3 S+ 0 0 94 -23,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.660 75.7 100.7 -77.5 -19.9 27.7 14.9 24.3 76 75 A K < - 0 0 46 -3,-1.9 -4,-0.0 -24,-0.2 3,-0.0 -0.409 49.7-172.3 -76.9 146.9 24.2 15.0 22.8 77 76 A R + 0 0 205 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.156 59.6 60.1-128.8 15.5 23.5 13.2 19.5 78 77 A R S S- 0 0 119 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.963 78.7-111.7-134.6 163.4 20.1 14.1 18.4 79 78 A R S S+ 0 0 193 -2,-0.3 -2,-0.1 1,-0.2 33,-0.0 -0.329 80.3 70.4 -82.4 166.4 18.4 17.4 17.6 80 79 A G > + 0 0 15 -2,-0.1 4,-1.9 0, 0.0 -1,-0.2 0.254 62.5 99.2 118.5 -13.5 15.7 19.0 19.7 81 80 A Y H > S+ 0 0 8 -3,-0.4 4,-1.8 2,-0.2 5,-0.1 0.954 90.7 43.2 -72.3 -47.5 17.4 20.1 23.0 82 81 A A H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 112.6 55.5 -60.9 -41.6 17.8 23.8 21.9 83 82 A S H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.898 104.0 53.4 -57.6 -41.4 14.2 23.6 20.5 84 83 A S H X S+ 0 0 25 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.925 109.8 48.5 -58.9 -45.7 12.9 22.5 23.9 85 84 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.916 112.6 47.8 -60.2 -45.9 14.6 25.5 25.5 86 85 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.911 108.4 53.7 -64.4 -42.8 13.2 27.9 22.9 87 86 A S H X S+ 0 0 57 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.857 105.0 54.9 -63.7 -35.2 9.7 26.5 23.2 88 87 A Y H >X S+ 0 0 45 -4,-1.8 4,-1.6 1,-0.2 3,-0.9 0.931 108.2 50.1 -59.6 -43.3 9.7 27.1 26.9 89 88 A X H 3X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.3 -2,-0.2 0.800 98.7 64.4 -66.3 -29.6 10.6 30.7 26.3 90 89 A L H 3< S+ 0 0 22 -4,-1.7 51,-2.2 1,-0.2 -1,-0.3 0.813 115.3 32.7 -60.8 -29.7 7.8 31.1 23.9 91 90 A S H << S+ 0 0 66 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.643 127.0 38.5 -94.9 -25.2 5.5 30.5 26.8 92 91 A H H < S+ 0 0 95 -4,-1.6 -3,-0.2 -5,-0.1 -2,-0.2 0.426 75.5 126.5-113.1 -1.7 7.5 32.0 29.6 93 92 A S < - 0 0 2 -4,-2.0 5,-0.0 -5,-0.2 47,-0.0 -0.328 55.6-141.1 -54.9 136.0 9.1 35.2 28.2 94 93 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.590 86.0 50.8 -76.9 -7.1 8.3 38.2 30.3 95 94 A T S S- 0 0 31 2,-0.1 45,-0.1 1,-0.1 -31,-0.1 -0.935 81.4-127.8-126.2 150.8 7.9 40.3 27.2 96 95 A Q S S+ 0 0 109 -2,-0.3 44,-2.1 43,-0.1 2,-0.4 0.885 96.2 65.7 -63.5 -37.2 5.9 39.7 24.0 97 96 A K E - E 0 139A 96 42,-0.2 -32,-1.1 -3,-0.0 2,-0.4 -0.714 67.6-169.4 -90.1 137.9 8.9 40.3 21.8 98 97 A I E +dE 65 138A 0 40,-2.9 40,-2.3 -2,-0.4 2,-0.3 -0.992 6.6 179.3-129.8 125.7 11.8 37.8 22.0 99 98 A F E +dE 66 137A 28 -34,-2.7 -32,-2.6 -2,-0.4 2,-0.3 -0.842 8.9 154.0-120.2 160.2 15.2 38.4 20.4 100 99 A S E - E 0 136A 3 36,-2.0 36,-2.6 -2,-0.3 2,-0.3 -0.883 19.9-147.5-159.9-171.5 18.5 36.4 20.3 101 100 A S E - E 0 135A 30 -34,-0.5 2,-0.3 -2,-0.3 34,-0.2 -0.986 10.7-173.8-156.6 165.5 21.5 36.2 18.0 102 101 A T E - E 0 134A 11 32,-1.6 32,-3.5 -2,-0.3 -2,-0.0 -0.967 41.3 -82.3-154.2 164.4 24.1 33.9 16.6 103 102 A N E > - E 0 133A 33 -2,-0.3 3,-1.8 30,-0.2 30,-0.2 -0.365 33.8-122.2 -64.9 149.7 27.2 34.3 14.4 104 103 A E T 3 S+ 0 0 81 28,-2.4 -1,-0.1 1,-0.3 29,-0.1 0.821 115.8 56.6 -58.8 -28.4 26.7 34.5 10.6 105 104 A S T 3 S+ 0 0 72 27,-0.2 2,-1.7 1,-0.1 -1,-0.3 0.625 84.6 90.4 -73.5 -17.1 29.1 31.5 10.5 106 105 A N <> + 0 0 58 -3,-1.8 4,-2.1 1,-0.2 -1,-0.1 -0.567 43.0 162.7 -90.3 82.2 26.9 29.4 12.8 107 106 A E H > S+ 0 0 144 -2,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.821 70.8 61.3 -74.3 -23.8 24.7 27.7 10.4 108 107 A S H > S+ 0 0 88 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.939 108.2 41.8 -65.1 -46.6 23.6 25.1 13.0 109 108 A X H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 109.6 58.7 -70.6 -36.6 22.1 27.7 15.3 110 109 A Q H X S+ 0 0 25 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.920 106.2 49.7 -54.1 -42.0 20.6 29.4 12.4 111 110 A K H X S+ 0 0 78 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.817 108.1 53.0 -68.6 -31.8 18.8 26.2 11.6 112 111 A V H X S+ 0 0 25 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.940 108.9 49.2 -65.5 -45.0 17.6 25.9 15.2 113 112 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.9 0.941 112.3 48.8 -60.6 -44.3 16.1 29.5 15.0 114 113 A N H ><5S+ 0 0 109 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.930 106.4 55.9 -57.4 -43.9 14.4 28.6 11.8 115 114 A A H 3<5S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.640 110.5 47.3 -65.7 -13.1 13.0 25.3 13.3 116 115 A N T <<5S- 0 0 22 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.299 119.6-103.3-115.5 11.1 11.4 27.4 16.1 117 116 A G T < 5S+ 0 0 48 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.660 70.9 142.9 78.0 15.7 9.8 30.2 14.0 118 117 A F < - 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