==== 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 04-APR-05 1Z9U . COMPND 2 MOLECULE: ACETYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR R.ZHANG,M.ZHOU,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER F . 348 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 6 1.7 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 . 2 0.6 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 0 0 2 2 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 1 0 2 0 2 0 4 4 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 0 0 1 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 E 0 0 118 0, 0.0 12,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 112.6 -40.4 61.6 10.3 2 4 A I E -A 12 0A 89 10,-0.2 10,-0.2 65,-0.0 65,-0.0 -0.934 360.0-162.8-113.5 138.0 -42.5 58.5 9.7 3 5 A I E -A 11 0A 6 8,-2.7 8,-2.8 -2,-0.4 111,-0.1 -0.972 24.7-132.9-116.3 113.4 -42.0 55.9 7.0 4 6 A P E +A 10 0A 102 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.317 31.9 167.3 -64.4 144.3 -45.1 53.8 6.4 5 7 A V - 0 0 33 4,-1.7 2,-0.2 1,-0.6 5,-0.2 0.645 63.2 -35.4-119.2 -53.5 -44.8 50.0 6.2 6 8 A S S S- 0 0 49 3,-2.2 -1,-0.6 104,-0.0 0, 0.0 -0.820 73.5 -74.8-154.4-169.5 -48.3 48.6 6.4 7 9 A T S S+ 0 0 151 -2,-0.2 3,-0.0 1,-0.2 65,-0.0 0.691 134.8 27.9 -73.1 -18.4 -51.7 49.4 8.2 8 10 A T S S+ 0 0 66 64,-0.1 64,-2.9 1,-0.1 2,-0.4 0.543 117.6 67.4-112.8 -16.0 -50.3 48.1 11.5 9 11 A L E + B 0 71A 6 62,-0.2 -3,-2.2 63,-0.1 -4,-1.7 -0.859 51.2 157.6-115.6 142.1 -46.6 48.8 10.9 10 12 A E E -AB 4 70A 58 60,-1.7 60,-2.7 -2,-0.4 2,-0.5 -0.987 32.4-125.4-155.4 160.5 -44.5 52.0 10.6 11 13 A L E -AB 3 69A 0 -8,-2.8 -8,-2.7 -2,-0.3 2,-0.4 -0.918 23.5-168.4-110.5 127.7 -41.0 53.3 11.0 12 14 A R E -AB 2 68A 52 56,-2.5 56,-2.9 -2,-0.5 -10,-0.2 -0.956 26.7-115.7-119.3 133.0 -40.2 56.2 13.3 13 15 A A E - B 0 67A 16 -12,-1.9 54,-0.2 -2,-0.4 43,-0.0 -0.441 47.3 -97.4 -64.5 131.7 -36.9 58.2 13.4 14 16 A A - 0 0 7 52,-2.7 2,-0.3 -2,-0.1 -1,-0.1 -0.299 47.6-167.2 -57.8 130.6 -35.3 57.7 16.9 15 17 A D > - 0 0 80 1,-0.1 3,-0.7 -3,-0.1 4,-0.4 -0.765 36.8-115.3-113.1 161.1 -36.1 60.5 19.3 16 18 A E G > S+ 0 0 64 -2,-0.3 3,-1.2 1,-0.2 37,-0.1 0.886 118.1 56.5 -53.3 -42.3 -34.7 61.7 22.7 17 19 A S G 3 S+ 0 0 88 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.628 94.7 65.2 -71.3 -18.9 -38.2 60.9 24.1 18 20 A H G <> S+ 0 0 26 -3,-0.7 4,-2.4 1,-0.2 3,-0.3 0.684 79.8 87.5 -73.4 -21.0 -38.1 57.2 22.9 19 21 A V H <> S+ 0 0 3 -3,-1.2 4,-2.9 -4,-0.4 5,-0.3 0.849 78.8 56.0 -54.7 -49.9 -35.3 56.4 25.3 20 22 A P H > S+ 0 0 72 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.935 118.3 35.8 -49.8 -48.2 -37.3 55.5 28.4 21 23 A A H > S+ 0 0 59 -4,-0.4 4,-1.5 -3,-0.3 -2,-0.2 0.811 116.0 54.8 -75.7 -30.9 -39.2 52.8 26.4 22 24 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -3,-0.2 0.924 105.3 51.4 -68.2 -46.2 -36.2 51.8 24.2 23 25 A H H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.853 107.7 54.4 -59.7 -35.9 -33.9 51.0 27.2 24 26 A Q H X S+ 0 0 112 -4,-1.0 4,-2.4 -5,-0.3 -1,-0.2 0.884 108.3 48.5 -63.9 -39.8 -36.7 48.8 28.6 25 27 A L H X S+ 0 0 13 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.926 111.9 49.9 -64.1 -43.4 -36.8 46.9 25.3 26 28 A V H < S+ 0 0 41 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.897 111.6 47.9 -60.0 -44.5 -33.0 46.6 25.5 27 29 A L H >< S+ 0 0 87 -4,-2.6 3,-1.0 1,-0.2 4,-0.2 0.935 111.6 50.6 -62.1 -47.8 -33.1 45.3 29.1 28 30 A K H 3< S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.750 118.8 36.8 -59.7 -30.5 -35.8 42.8 28.2 29 31 A N T >X S+ 0 0 2 -4,-1.5 4,-2.4 1,-0.1 3,-1.5 0.286 78.7 119.9-109.6 9.9 -33.8 41.4 25.2 30 32 A K H <> + 0 0 112 -3,-1.0 4,-2.6 -4,-0.5 5,-0.2 0.786 69.6 58.9 -46.9 -44.2 -30.3 41.6 26.7 31 33 A A H 34 S+ 0 0 69 -4,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.859 114.5 37.1 -57.2 -39.5 -29.6 37.9 26.4 32 34 A W H X4 S+ 0 0 122 -3,-1.5 3,-1.4 2,-0.1 4,-0.3 0.913 115.8 53.5 -75.6 -45.5 -30.2 38.0 22.6 33 35 A L H >< S+ 0 0 19 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.866 101.7 57.2 -61.7 -40.1 -28.5 41.5 22.1 34 36 A Q T 3< S+ 0 0 60 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.552 104.4 54.3 -73.7 -6.3 -25.2 40.6 23.8 35 37 A Q T < S+ 0 0 117 -3,-1.4 2,-0.3 -5,-0.2 -1,-0.3 0.397 102.8 72.5 -98.0 -2.5 -24.7 37.7 21.4 36 38 A S S < S- 0 0 8 -3,-1.7 95,-0.1 -4,-0.3 -4,-0.0 -0.847 75.3-133.8-120.0 153.9 -25.1 39.9 18.3 37 39 A L 0 0 22 -2,-0.3 -1,-0.1 93,-0.1 94,-0.1 0.654 360.0 360.0 -74.1 -17.5 -23.0 42.6 16.6 38 40 A D 0 0 40 57,-0.2 -2,-0.2 2,-0.1 56,-0.1 -0.208 360.0 360.0 -65.6 360.0 -26.0 45.0 16.3 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 43 A Q 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -44.4 -23.6 44.9 21.9 41 44 A Y 0 0 119 119,-0.0 -11,-0.0 0, 0.0 -7,-0.0 -0.958 360.0 360.0-130.5 360.0 -23.1 45.6 25.6 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 46 A T 0 0 127 0, 0.0 2,-0.1 0, 0.0 -16,-0.0 0.000 360.0 360.0 360.0-106.9 -25.5 48.6 31.1 44 47 A S > - 0 0 58 1,-0.1 4,-0.9 4,-0.0 3,-0.3 -0.375 360.0-119.5 -89.8 161.1 -27.1 52.0 32.0 45 48 A Q H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.823 113.4 62.7 -64.7 -34.0 -30.0 54.0 30.5 46 49 A E H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.865 98.9 55.6 -60.0 -35.9 -27.6 56.8 29.8 47 50 A E H > S+ 0 0 88 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.864 108.2 48.2 -63.6 -36.9 -25.6 54.5 27.5 48 51 A T H X S+ 0 0 19 -4,-0.9 4,-1.8 -3,-0.2 -2,-0.2 0.912 113.1 46.0 -69.2 -44.5 -28.9 53.9 25.6 49 52 A R H X S+ 0 0 89 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.868 108.4 58.6 -66.5 -35.5 -29.6 57.6 25.3 50 53 A K H X S+ 0 0 104 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.933 108.0 44.7 -54.1 -51.1 -26.0 58.3 24.3 51 54 A H H X S+ 0 0 102 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.862 115.3 49.2 -63.1 -38.3 -26.4 55.9 21.3 52 55 A V H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.951 114.7 41.9 -66.8 -52.8 -29.7 57.5 20.4 53 56 A Q H X S+ 0 0 96 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.907 114.3 55.1 -58.9 -43.2 -28.5 61.1 20.6 54 57 A G H X S+ 0 0 30 -4,-2.7 4,-1.4 -5,-0.3 -2,-0.2 0.907 111.1 43.3 -53.9 -46.8 -25.3 60.0 18.8 55 58 A N H X S+ 0 0 18 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.780 105.7 60.3 -75.2 -30.5 -27.4 58.5 15.9 56 59 A I H X S+ 0 0 44 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.898 106.5 50.1 -57.2 -42.3 -29.8 61.5 15.7 57 60 A L H X S+ 0 0 102 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.911 115.2 41.1 -61.7 -47.2 -26.6 63.6 14.9 58 61 A L H X>S+ 0 0 52 -4,-1.4 6,-1.0 2,-0.2 5,-1.0 0.862 110.8 58.7 -67.1 -39.3 -25.5 61.1 12.3 59 62 A H H <5S+ 0 0 24 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.860 111.2 42.2 -57.8 -42.0 -29.2 60.8 11.0 60 63 A Q H <5S+ 0 0 161 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.952 115.0 47.3 -67.9 -54.6 -29.2 64.6 10.4 61 64 A R H <5S- 0 0 147 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.459 113.5-119.2 -77.9 0.3 -25.7 64.9 8.8 62 65 A G T <5S+ 0 0 32 -4,-0.9 -3,-0.2 2,-0.3 -4,-0.1 0.450 85.0 101.7 88.0 4.4 -26.5 61.9 6.6 63 66 A Y S S-BC 9 74A 12 3,-3.3 3,-0.8 -2,-0.5 -62,-0.2 -0.956 78.9 -20.4-114.4 114.1 -46.5 47.9 15.6 72 75 A Q T 3 S- 0 0 153 -64,-2.9 -1,-0.2 -2,-0.6 -63,-0.1 0.907 131.6 -49.2 47.9 48.7 -50.0 49.2 16.4 73 76 A N T 3 S+ 0 0 120 -65,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.658 117.5 118.5 67.7 21.1 -48.3 52.1 18.2 74 77 A E E < S-C 71 0A 102 -3,-0.8 -3,-3.3 0, 0.0 2,-0.4 -0.971 70.3-118.1-122.3 129.1 -46.0 49.8 20.2 75 78 A M E +C 70 0A 12 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.458 39.2 166.2 -66.2 118.0 -42.2 49.8 20.0 76 79 A A E - 0 0 0 -7,-3.2 22,-3.6 -2,-0.4 2,-0.3 0.583 52.5 -51.4-111.7 -19.4 -41.2 46.4 18.6 77 80 A G E -CD 69 97A 0 -8,-1.0 -8,-2.0 20,-0.3 2,-0.4 -0.993 55.4 -71.7 168.1-165.1 -37.5 46.9 17.6 78 81 A V E -CD 68 96A 8 18,-2.7 18,-1.9 -2,-0.3 2,-0.4 -0.975 24.2-179.5-132.9 132.2 -34.8 48.8 15.8 79 82 A L E +CD 67 95A 0 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.981 22.3 159.9-132.9 121.4 -33.8 49.2 12.2 80 83 A S E -CD 66 94A 7 14,-3.3 14,-2.2 -2,-0.4 2,-0.6 -0.896 46.2-126.0-138.1 163.8 -30.7 51.3 11.2 81 84 A F E -CD 65 93A 0 -16,-1.9 -16,-1.2 -2,-0.3 12,-0.3 -0.941 28.2-163.1-105.4 100.4 -28.0 52.1 8.6 82 85 A N E S- 0 0 86 10,-2.6 2,-0.3 -2,-0.6 11,-0.1 0.799 72.2 -3.2 -56.1 -41.3 -24.8 51.7 10.7 83 86 A A E - D 0 92A 46 9,-0.6 9,-2.1 -3,-0.1 2,-0.4 -0.935 70.0-150.7-150.6 153.9 -22.6 53.7 8.3 84 87 A I E - D 0 91A 18 -21,-0.7 7,-0.2 -2,-0.3 40,-0.0 -0.999 6.5-156.6-136.5 128.2 -23.5 55.2 4.9 85 88 A E E >> - D 0 90A 51 5,-3.2 5,-1.7 -2,-0.4 4,-1.6 -0.875 13.4-168.2-106.3 95.9 -21.1 55.7 2.0 86 89 A P T 45S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.766 83.1 40.7 -63.6 -32.1 -22.9 58.5 0.1 87 90 A I T 45S+ 0 0 110 1,-0.2 -2,-0.0 2,-0.1 249,-0.0 0.877 119.8 44.2 -85.3 -36.8 -20.8 58.3 -3.2 88 91 A N T 45S- 0 0 11 2,-0.1 -1,-0.2 247,-0.1 37,-0.2 0.690 104.1-137.4 -68.9 -18.3 -20.8 54.5 -3.2 89 92 A K T <5 + 0 0 68 -4,-1.6 36,-2.9 1,-0.2 37,-2.6 0.913 57.1 135.7 55.0 47.1 -24.5 54.7 -2.3 90 93 A A E < -De 85 126A 0 -5,-1.7 -5,-3.2 34,-0.2 2,-0.3 -0.901 33.2-175.4-123.0 150.9 -24.0 51.9 0.1 91 94 A A E -De 84 127A 0 35,-2.4 37,-3.0 -2,-0.3 2,-0.5 -0.994 21.8-132.8-145.5 150.4 -25.1 51.3 3.7 92 95 A Y E -De 83 128A 35 -9,-2.1 -10,-2.6 -2,-0.3 -9,-0.6 -0.884 28.6-136.7-103.2 130.7 -24.6 48.7 6.5 93 96 A I E -D 81 0A 3 35,-3.0 37,-0.5 -2,-0.5 2,-0.4 -0.750 18.5-173.7 -98.8 129.9 -27.8 47.5 8.2 94 97 A G E +D 80 0A 3 -14,-2.2 -14,-3.3 -2,-0.4 2,-0.3 -0.946 20.1 155.8-113.9 144.6 -28.2 47.0 11.9 95 98 A Y E +D 79 0A 9 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.992 17.7 166.1-162.2 152.8 -31.4 45.5 13.3 96 99 A W E -D 78 0A 37 -18,-1.9 -18,-2.7 -2,-0.3 2,-0.4 -0.912 17.7-146.9-166.6 154.5 -33.2 43.6 16.1 97 100 A L E -D 77 0A 11 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.932 32.5-101.3-121.8 142.8 -36.7 42.8 17.2 98 101 A D > - 0 0 2 -22,-3.6 3,-1.8 -2,-0.4 4,-0.3 -0.401 38.7-119.1 -54.6 136.5 -38.1 42.3 20.6 99 102 A E G > S+ 0 0 87 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.852 111.4 57.0 -52.1 -42.5 -38.5 38.6 21.3 100 103 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.690 105.4 54.0 -67.9 -14.8 -42.3 38.7 21.8 101 104 A F G X S+ 0 0 17 -3,-1.8 3,-0.5 -25,-0.2 5,-0.4 0.418 85.4 115.1 -95.1 0.5 -42.6 40.2 18.3 102 105 A Q T < + 0 0 90 -3,-1.6 -3,-0.0 -4,-0.3 -4,-0.0 -0.217 60.1 34.4 -73.4 159.2 -40.6 37.6 16.4 103 106 A G T 3 S+ 0 0 78 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.663 88.9 94.9 77.9 19.2 -42.0 35.2 13.7 104 107 A Q S < S- 0 0 120 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.440 96.6-109.6-115.6 -5.2 -44.5 37.6 12.1 105 108 A G S > S+ 0 0 36 3,-0.0 4,-2.6 4,-0.0 5,-0.2 0.560 77.4 132.8 82.4 10.6 -42.5 39.0 9.2 106 109 A I H > S+ 0 0 6 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.933 72.2 42.6 -59.5 -51.0 -42.3 42.4 11.0 107 110 A M H > S+ 0 0 14 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.895 114.0 53.4 -63.4 -40.7 -38.6 42.9 10.5 108 111 A S H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 111.0 44.3 -59.6 -48.4 -38.8 41.7 6.9 109 112 A Q H X S+ 0 0 98 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.877 116.2 48.8 -63.5 -37.9 -41.6 44.2 6.0 110 113 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.928 112.5 46.5 -67.0 -47.9 -39.8 47.0 7.8 111 114 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.945 113.1 49.1 -61.1 -49.6 -36.5 46.2 6.0 112 115 A Q H X S+ 0 0 60 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.893 113.6 47.4 -58.3 -41.0 -38.1 46.0 2.6 113 116 A A H X S+ 0 0 24 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.919 113.5 47.0 -66.4 -45.1 -39.9 49.3 3.2 114 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.900 114.4 46.3 -65.4 -42.6 -36.8 51.1 4.4 115 118 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.937 114.1 49.2 -62.4 -46.8 -34.6 49.8 1.5 116 119 A T H X S+ 0 0 61 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.933 109.1 52.7 -58.6 -49.3 -37.4 50.7 -1.0 117 120 A H H X S+ 0 0 58 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.936 114.9 40.2 -49.1 -54.4 -37.7 54.2 0.5 118 121 A Y H <>S+ 0 0 6 -4,-2.0 5,-1.4 1,-0.2 6,-1.4 0.752 111.8 55.9 -73.9 -26.3 -34.0 54.9 0.2 119 122 A A H ><5S+ 0 0 13 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.927 106.9 48.4 -71.0 -46.4 -33.5 53.3 -3.2 120 123 A R H 3<5S+ 0 0 224 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.655 108.2 54.6 -74.5 -12.2 -36.2 55.4 -5.0 121 124 A R T 3<5S- 0 0 139 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.498 112.2-124.8 -89.6 -4.7 -34.8 58.6 -3.5 122 125 A G T < 5S+ 0 0 32 -3,-1.3 -3,-0.2 2,-0.2 3,-0.1 0.570 79.8 113.5 78.7 11.6 -31.4 57.6 -5.1 123 126 A D S - 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