==== 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 29-JAN-04 1S7N . COMPND 2 MOLECULE: ACETYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.W.VETTING,L.P.DE CARVALHO,S.L.RODERICK,J.S BLANCHARD . 709 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 79.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 3 0.4 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 . 50 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 1 0 0 0 4 1 0 0 0 0 2 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 . 2 0 4 0 4 0 8 8 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 2 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 2 A V 0 0 176 0, 0.0 2,-0.5 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 132.3 -11.4 9.6 3.2 2 3 A E + 0 0 57 12,-0.2 12,-2.5 2,-0.0 2,-0.4 -0.929 360.0 173.1-120.6 125.9 -11.0 6.2 4.8 3 4 A I E -A 13 0A 78 -2,-0.5 10,-0.2 10,-0.2 66,-0.0 -0.985 14.4-164.1-128.8 132.0 -12.7 4.9 8.0 4 5 A I E -A 12 0A 4 8,-2.7 8,-3.0 -2,-0.4 2,-0.1 -0.981 27.2-131.7-112.9 120.6 -12.5 1.4 9.5 5 6 A P E +A 11 0A 101 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.451 34.1 164.3 -73.7 147.6 -15.3 1.0 12.0 6 7 A V - 0 0 32 4,-1.7 2,-0.3 1,-0.6 5,-0.2 0.624 58.7 -28.3-126.2 -55.3 -14.5 -0.5 15.3 7 8 A S - 0 0 41 3,-3.0 -1,-0.6 1,-0.0 0, 0.0 -0.924 69.3 -82.9-155.7 178.8 -17.3 0.1 17.8 8 9 A T S S+ 0 0 150 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.815 134.4 29.4 -61.6 -28.4 -20.1 2.5 18.6 9 10 A T S S+ 0 0 62 1,-0.1 65,-2.6 65,-0.1 2,-0.4 0.519 118.4 63.2-108.0 -8.6 -17.5 4.7 20.3 10 11 A L E + B 0 73A 3 63,-0.2 -3,-3.0 64,-0.1 -4,-1.7 -0.953 48.6 158.4-126.9 136.7 -14.4 3.8 18.3 11 12 A E E -AB 5 72A 59 61,-2.2 61,-2.9 -2,-0.4 2,-0.5 -0.986 31.2-130.2-145.1 157.5 -13.3 4.1 14.8 12 13 A L E -AB 4 71A 0 -8,-3.0 -8,-2.7 -2,-0.3 2,-0.4 -0.932 22.5-169.1-103.6 135.6 -10.0 4.2 12.9 13 14 A R E -AB 3 70A 48 57,-2.2 57,-3.2 -2,-0.5 -10,-0.2 -0.978 27.8-115.4-123.3 131.5 -9.4 7.1 10.4 14 15 A A E - B 0 69A 13 -12,-2.5 55,-0.3 -2,-0.4 -12,-0.2 -0.431 44.5-103.2 -65.1 139.0 -6.5 7.1 7.9 15 16 A A + 0 0 8 53,-3.0 2,-0.3 42,-0.1 53,-0.1 -0.373 49.6 171.9 -63.2 140.6 -4.2 9.9 8.8 16 17 A D >> - 0 0 41 -2,-0.1 3,-2.8 -3,-0.1 4,-0.5 -0.943 49.8 -90.0-144.7 169.0 -4.4 13.0 6.7 17 18 A E G >4 S+ 0 0 116 -2,-0.3 3,-0.8 1,-0.3 38,-0.1 0.753 119.3 64.9 -51.8 -25.3 -3.1 16.5 6.6 18 19 A S G 34 S+ 0 0 89 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.728 95.1 57.8 -75.5 -18.5 -6.1 17.7 8.6 19 20 A H G <> S+ 0 0 17 -3,-2.8 4,-2.9 1,-0.2 5,-0.3 0.676 79.5 93.6 -82.2 -16.3 -5.1 15.7 11.6 20 21 A V H S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.975 118.4 37.5 -58.5 -50.9 -2.5 20.0 14.5 22 23 A A H > S+ 0 0 51 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.873 116.0 52.6 -69.2 -37.4 -4.3 17.7 16.9 23 24 A L H X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.943 107.7 52.1 -66.3 -39.5 -1.9 14.9 16.4 24 25 A H H X S+ 0 0 10 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.901 111.2 48.6 -62.2 -36.0 1.1 17.2 17.1 25 26 A Q H X S+ 0 0 112 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.898 108.8 51.3 -67.1 -44.2 -0.7 18.2 20.3 26 27 A L H X S+ 0 0 18 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.856 110.2 50.9 -60.7 -38.9 -1.4 14.6 21.4 27 28 A V H < S+ 0 0 8 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.849 111.0 47.1 -67.4 -37.8 2.3 13.8 20.9 28 29 A L H >< S+ 0 0 72 -4,-1.6 3,-1.2 -5,-0.2 4,-0.4 0.913 111.4 51.9 -69.3 -42.8 3.5 16.7 22.9 29 30 A K H 3< S+ 0 0 140 -4,-2.6 4,-0.2 1,-0.3 -2,-0.2 0.831 119.3 35.8 -61.8 -31.4 1.0 15.9 25.7 30 31 A N T 3X S+ 0 0 4 -4,-1.5 4,-3.5 -5,-0.2 -1,-0.3 0.226 83.7 109.7-109.4 15.2 2.3 12.3 25.8 31 32 A K H <> S+ 0 0 60 -3,-1.2 4,-2.2 2,-0.2 5,-0.1 0.927 81.2 43.8 -58.7 -52.7 6.0 12.8 25.1 32 33 A A H > S+ 0 0 55 -4,-0.4 4,-0.6 2,-0.2 3,-0.3 0.962 116.8 48.9 -56.6 -53.0 7.3 11.9 28.5 33 34 A W H >4 S+ 0 0 43 -4,-0.2 3,-1.8 1,-0.2 4,-0.4 0.950 112.1 47.4 -53.0 -54.8 4.9 9.0 28.7 34 35 A L H >X S+ 0 0 6 -4,-3.5 4,-2.6 1,-0.3 3,-1.8 0.796 99.8 66.9 -59.6 -31.1 5.9 7.7 25.2 35 36 A Q H 3< S+ 0 0 18 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.652 87.5 70.1 -64.5 -16.4 9.7 8.1 25.9 36 37 A Q T << S+ 0 0 32 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.802 120.8 13.8 -69.8 -24.2 9.3 5.3 28.4 37 38 A S T <4 S+ 0 0 27 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.588 122.8 56.0-127.4 -13.1 8.7 2.9 25.6 38 39 A L < - 0 0 42 -4,-2.6 4,-0.2 1,-0.1 -1,-0.2 -0.961 51.8-156.7-130.7 146.9 9.7 4.6 22.4 39 40 A D S > S+ 0 0 32 -2,-0.3 3,-0.9 1,-0.1 4,-0.1 0.804 86.3 66.5 -89.7 -33.0 12.8 6.3 21.1 40 41 A W G > S+ 0 0 111 1,-0.2 3,-2.4 2,-0.1 4,-0.3 0.825 81.1 76.0 -61.3 -35.5 11.3 8.6 18.4 41 42 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.826 87.5 61.1 -50.5 -34.0 9.4 10.9 20.7 42 43 A Q G < S+ 0 0 81 -3,-0.9 -2,-0.1 1,-0.3 -3,-0.1 0.571 93.6 60.7 -78.5 4.7 12.4 12.8 21.8 43 44 A Y G < S+ 0 0 132 -3,-2.4 -1,-0.3 -4,-0.1 2,-0.1 0.353 81.1 123.1 -99.6 4.6 13.3 14.0 18.3 44 45 A V < + 0 0 29 -3,-1.6 3,-0.1 -4,-0.3 -13,-0.0 -0.395 24.8 137.5 -68.0 135.5 9.9 15.7 18.3 45 46 A T + 0 0 90 1,-0.4 -1,-0.1 -2,-0.1 2,-0.1 0.216 47.6 19.8-139.9 -95.5 10.0 19.5 17.8 46 47 A S > - 0 0 31 1,-0.1 4,-1.6 4,-0.0 -1,-0.4 -0.429 62.3-119.0 -90.2 163.9 7.8 21.7 15.6 47 48 A Q H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 116.4 58.7 -62.5 -37.6 4.3 21.2 14.2 48 49 A E H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 103.5 50.2 -58.7 -43.9 6.0 21.6 10.8 49 50 A E H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 111.3 49.0 -62.4 -35.9 8.3 18.7 11.4 50 51 A T H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.915 108.9 51.5 -68.4 -43.7 5.3 16.6 12.4 51 52 A R H X S+ 0 0 85 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.879 107.4 56.4 -59.3 -36.8 3.4 17.6 9.3 52 53 A K H X S+ 0 0 114 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.919 109.2 44.3 -57.3 -49.2 6.5 16.5 7.3 53 54 A H H X S+ 0 0 123 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.923 113.0 50.4 -67.1 -42.8 6.4 13.1 8.8 54 55 A V H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.914 107.3 53.7 -63.7 -40.1 2.6 12.7 8.3 55 56 A Q H X S+ 0 0 82 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.933 111.1 47.5 -57.9 -45.1 2.9 13.8 4.6 56 57 A G H X S+ 0 0 32 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.897 112.4 47.8 -63.3 -40.2 5.5 11.0 4.1 57 58 A N H X S+ 0 0 65 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.864 107.6 57.2 -68.7 -34.2 3.4 8.4 5.9 58 59 A I H X S+ 0 0 14 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.926 106.7 48.9 -65.0 -38.9 0.4 9.5 3.8 59 60 A L H X S+ 0 0 80 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.942 113.4 46.0 -63.8 -43.1 2.4 8.7 0.7 60 61 A L H X>S+ 0 0 69 -4,-2.1 5,-2.8 1,-0.2 4,-1.2 0.935 112.2 52.9 -62.5 -42.3 3.4 5.3 2.0 61 62 A H H ><5S+ 0 0 13 -4,-3.2 3,-0.6 1,-0.2 -1,-0.2 0.933 111.5 44.1 -58.6 -48.5 -0.1 4.7 3.1 62 63 A Q H 3<5S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.8 49.4 -65.9 -36.8 -1.5 5.5 -0.4 63 64 A R H 3<5S- 0 0 148 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.590 113.5-117.5 -78.8 -8.7 1.2 3.4 -2.1 64 65 A G T <<5S+ 0 0 21 -4,-1.2 -3,-0.2 -3,-0.6 -4,-0.1 0.762 84.0 115.6 80.0 24.6 0.6 0.4 0.2 65 66 A Y S S-BC 10 76A 8 3,-2.9 3,-1.8 -2,-0.5 -63,-0.2 -0.975 80.6 -22.1-114.4 114.0 -12.8 7.6 20.7 74 75 A Q T 3 S- 0 0 149 -65,-2.6 -1,-0.2 -2,-0.6 -64,-0.1 0.905 129.5 -52.2 49.9 42.9 -16.1 9.5 20.8 75 76 A N T 3 S+ 0 0 123 -66,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.596 114.5 118.2 74.7 11.2 -14.6 11.8 18.2 76 77 A E E < S-C 73 0A 116 -3,-1.8 -3,-2.9 0, 0.0 2,-0.4 -0.929 73.0-114.6-112.8 134.7 -11.5 12.5 20.2 77 78 A M E +C 72 0A 17 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.545 43.4 168.2 -66.3 119.5 -8.1 11.6 18.8 78 79 A A E - 0 0 0 -7,-4.0 22,-2.9 -2,-0.4 2,-0.3 0.575 49.3 -44.7-116.1 -8.3 -6.8 8.9 21.2 79 80 A G E -CD 71 99A 0 -8,-1.0 -8,-3.0 20,-0.3 2,-0.4 -0.984 56.0 -84.7 166.6-172.9 -3.8 7.2 19.7 80 81 A V E -CD 70 98A 10 18,-2.1 18,-1.7 -2,-0.3 2,-0.5 -0.953 21.5-175.9-129.2 139.5 -2.2 5.7 16.6 81 82 A L E +CD 69 97A 0 -12,-2.7 -12,-2.2 -2,-0.4 2,-0.3 -0.983 26.8 160.8-133.6 119.7 -2.3 2.2 15.0 82 83 A S E -CD 68 96A 15 14,-2.8 14,-2.4 -2,-0.5 2,-0.7 -0.894 48.8-125.0-140.7 162.7 -0.2 1.8 12.1 83 84 A F E -CD 67 95A 0 -16,-2.3 -16,-2.2 -2,-0.3 12,-0.3 -0.978 26.2-160.9-101.3 106.0 1.6 -0.7 9.9 84 85 A N E S- 0 0 103 10,-2.3 2,-0.3 -2,-0.7 11,-0.1 0.837 74.5 -4.7 -55.1 -35.1 5.1 0.6 10.2 85 86 A A E - D 0 94A 42 9,-0.9 9,-2.6 -3,-0.1 2,-0.3 -0.969 62.3-155.8-158.0 149.4 5.9 -1.3 7.0 86 87 A I E - D 0 93A 17 -21,-1.9 7,-0.2 -2,-0.3 3,-0.1 -0.955 9.1-151.9-125.1 143.9 4.2 -3.7 4.6 87 88 A E E >> - D 0 92A 57 5,-2.6 5,-1.6 -2,-0.3 4,-1.0 -0.929 14.9-164.0-113.1 98.9 6.0 -6.2 2.3 88 89 A P T >45S+ 0 0 55 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.875 84.1 50.5 -56.0 -44.1 3.5 -6.5 -0.5 89 90 A I T 345S+ 0 0 84 1,-0.2 251,-0.1 -3,-0.1 249,-0.0 0.922 116.6 41.6 -62.6 -41.4 4.9 -9.7 -2.1 90 91 A N T 345S- 0 0 28 2,-0.1 -1,-0.2 -3,-0.1 37,-0.2 0.512 101.9-133.8 -84.4 -3.6 4.9 -11.4 1.3 91 92 A K T <<5 + 0 0 72 -4,-1.0 36,-2.7 -3,-0.7 37,-2.3 0.910 62.6 133.2 52.1 46.4 1.5 -10.0 2.3 92 93 A A E < -De 87 128A 0 -5,-1.6 -5,-2.6 34,-0.2 2,-0.3 -0.963 36.3-173.1-130.8 143.3 3.1 -9.2 5.6 93 94 A A E -De 86 129A 0 35,-2.8 37,-2.9 -2,-0.4 2,-0.5 -0.989 19.9-132.9-137.1 153.0 3.1 -6.1 7.8 94 95 A Y E -De 85 130A 29 -9,-2.6 -10,-2.3 -2,-0.3 -9,-0.9 -0.870 26.9-138.5-105.3 128.3 4.7 -4.9 11.0 95 96 A I E +De 83 131A 8 35,-3.5 37,-0.6 -2,-0.5 2,-0.3 -0.566 21.9 176.3 -89.4 139.4 2.5 -3.3 13.6 96 97 A G E +D 82 0A 16 -14,-2.4 -14,-2.8 -2,-0.3 2,-0.3 -0.982 12.1 162.1-135.8 146.6 3.2 -0.2 15.7 97 98 A Y E +D 81 0A 40 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.993 15.3 173.7-159.7 164.6 0.9 1.5 18.2 98 99 A W E -D 80 0A 27 -18,-1.7 -18,-2.1 -2,-0.3 2,-0.3 -0.945 13.8-151.1-169.2 151.8 0.5 3.9 21.1 99 100 A L E -D 79 0A 20 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.963 36.9 -96.3-128.0 145.6 -2.4 5.4 23.1 100 101 A D > - 0 0 3 -22,-2.9 3,-2.5 -2,-0.3 4,-0.2 -0.454 49.5-113.1 -55.4 137.0 -2.6 8.7 24.9 101 102 A E G > S+ 0 0 94 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.730 112.5 57.9 -52.3 -26.6 -1.8 7.5 28.5 102 103 A S G 3 S+ 0 0 84 1,-0.2 -1,-0.3 -24,-0.0 -2,-0.1 0.541 96.4 62.5 -86.8 -2.6 -5.2 8.2 29.8 103 104 A F G X S+ 0 0 21 -3,-2.5 3,-0.6 -25,-0.2 5,-0.4 0.273 78.2 115.6-102.0 11.2 -7.0 5.9 27.4 104 105 A Q T < + 0 0 80 -3,-0.8 -3,-0.0 1,-0.2 -4,-0.0 -0.335 59.8 39.3 -74.8 160.5 -5.3 2.7 28.6 105 106 A G T 3 S+ 0 0 85 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.641 89.6 88.9 77.2 16.0 -7.2 -0.1 30.3 106 107 A Q S < S- 0 0 105 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.1 0.165 98.2-110.5-128.3 19.0 -10.4 -0.1 28.1 107 108 A G S > S+ 0 0 36 1,-0.1 4,-2.9 3,-0.1 5,-0.3 0.691 73.2 138.7 62.3 16.0 -9.3 -2.5 25.3 108 109 A I H > S+ 0 0 4 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.939 74.0 42.4 -59.4 -43.1 -9.2 0.4 22.9 109 110 A M H > S+ 0 0 11 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.960 114.9 49.2 -70.2 -48.3 -6.0 -0.9 21.2 110 111 A S H > S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.937 113.8 46.4 -55.5 -47.8 -7.1 -4.5 21.2 111 112 A Q H X S+ 0 0 82 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.937 115.3 45.9 -60.4 -46.3 -10.5 -3.6 19.6 112 113 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.904 113.4 49.8 -63.1 -41.0 -8.9 -1.4 17.1 113 114 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.911 108.9 52.3 -63.6 -44.7 -6.2 -4.0 16.3 114 115 A Q H X S+ 0 0 66 -4,-3.0 4,-2.1 -5,-0.3 5,-0.2 0.933 112.2 45.0 -58.8 -46.9 -8.8 -6.7 15.9 115 116 A A H X S+ 0 0 24 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.912 113.3 50.9 -66.1 -38.9 -10.8 -4.6 13.4 116 117 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.961 111.5 45.0 -64.7 -47.5 -7.8 -3.5 11.5 117 118 A M H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.890 114.0 50.2 -64.4 -36.7 -6.4 -7.0 11.0 118 119 A T H X S+ 0 0 52 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.896 107.9 53.8 -68.8 -36.5 -9.8 -8.4 10.0 119 120 A H H X S+ 0 0 62 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.935 111.8 43.4 -62.4 -46.2 -10.2 -5.7 7.5 120 121 A Y H X>S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 6,-1.0 0.887 110.5 53.9 -70.1 -36.7 -6.9 -6.4 5.8 121 122 A A H <5S+ 0 0 6 -4,-2.3 56,-0.6 2,-0.2 -1,-0.2 0.887 110.5 48.9 -64.4 -34.8 -7.4 -10.1 5.8 122 123 A R H <5S+ 0 0 193 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.854 109.5 50.8 -74.4 -30.2 -10.8 -9.5 4.1 123 124 A R H <5S- 0 0 118 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.892 104.5-143.6 -68.6 -31.4 -9.1 -7.3 1.6 124 125 A G T <5S+ 0 0 36 -4,-2.2 -3,-0.2 2,-0.3 3,-0.1 0.355 71.9 105.3 85.5 -6.7 -6.7 -10.2 1.2 125 126 A D S - 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0 0 37 -48,-3.3 2,-0.6 -2,-0.4 -49,-0.1 -0.887 10.2-170.6-139.9 112.7 42.6 20.4 56.9 710 177 D D - 0 0 75 -2,-0.4 2,-1.2 -54,-0.0 -54,-0.1 -0.882 15.1-150.4-104.3 115.1 44.1 20.9 53.4 711 178 D A 0 0 52 -2,-0.6 -2,-0.0 -56,-0.6 -59,-0.0 -0.758 360.0 360.0 -83.4 99.7 47.5 19.4 52.9 712 179 D D 0 0 207 -2,-1.2 -1,-0.2 0, 0.0 -56,-0.0 0.816 360.0 360.0-112.3 360.0 48.7 22.0 50.3