==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-AUG-13 4MHD . COMPND 2 MOLECULE: SPERMIDINE N1-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,M.L.KUHN, . 511 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 26 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 1 4 1 1 2 3 2 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 3 0 2 7 3 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 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 2 A N > 0 0 122 0, 0.0 3,-1.4 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0-168.8 -29.0 -8.4 29.1 2 3 A S T 3 + 0 0 108 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.811 360.0 67.5 -55.7 -37.4 -29.0 -4.6 29.7 3 4 A Q T 3 S+ 0 0 79 2,-0.0 2,-0.5 58,-0.0 -1,-0.3 0.380 78.1 100.0 -71.8 2.1 -30.2 -5.0 33.2 4 5 A L < + 0 0 0 -3,-1.4 2,-0.3 57,-0.1 57,-0.2 -0.800 50.9 177.9 -94.2 131.4 -27.0 -6.7 34.5 5 6 A T E -A 60 0A 66 55,-2.3 55,-1.6 -2,-0.5 2,-0.5 -0.920 25.9-141.6-132.3 155.4 -24.5 -4.6 36.4 6 7 A L E +A 59 0A 37 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.978 27.6 165.2-113.2 125.5 -21.2 -4.8 38.2 7 8 A R E -A 58 0A 73 51,-1.9 51,-2.8 -2,-0.5 3,-0.1 -0.911 43.8 -81.9-131.7 158.3 -20.7 -2.7 41.4 8 9 A A E -A 57 0A 53 -2,-0.3 49,-0.3 49,-0.2 2,-0.1 -0.272 49.4-100.5 -58.6 144.1 -17.9 -3.0 44.1 9 10 A L - 0 0 14 47,-2.6 2,-0.3 3,-0.0 -1,-0.1 -0.449 44.9-168.8 -64.5 138.2 -18.2 -5.6 46.8 10 11 A E > - 0 0 102 -2,-0.1 3,-1.8 -3,-0.1 4,-0.3 -0.905 36.6-105.3-126.2 163.8 -19.5 -4.1 50.1 11 12 A R G > S+ 0 0 116 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.865 117.2 61.9 -54.8 -42.9 -19.7 -5.4 53.6 12 13 A G G 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.723 98.7 57.3 -62.2 -14.4 -23.5 -5.8 53.3 13 14 A D G X> S+ 0 0 15 -3,-1.8 4,-1.9 1,-0.2 3,-0.9 0.560 78.7 94.4 -92.9 -4.0 -23.0 -8.3 50.5 14 15 A L H <> S+ 0 0 0 -3,-2.0 4,-3.2 -4,-0.3 5,-0.2 0.758 75.8 59.8 -65.6 -30.1 -20.8 -10.6 52.6 15 16 A R H 3> S+ 0 0 150 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.3 0.864 108.2 46.8 -61.2 -36.0 -23.7 -13.0 53.7 16 17 A F H <> S+ 0 0 33 -3,-0.9 4,-1.9 -4,-0.2 -2,-0.2 0.941 114.1 47.6 -70.5 -46.3 -24.3 -13.7 50.0 17 18 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 3,-0.5 0.969 112.4 49.9 -57.5 -52.0 -20.5 -14.3 49.4 18 19 A H H X S+ 0 0 38 -4,-3.2 4,-1.2 1,-0.3 -1,-0.2 0.857 106.4 55.2 -53.2 -42.8 -20.3 -16.5 52.5 19 20 A N H < S+ 0 0 108 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.905 112.9 41.6 -63.6 -37.5 -23.2 -18.5 51.4 20 21 A L H >< S+ 0 0 3 -4,-1.9 3,-2.1 -3,-0.5 7,-0.4 0.921 110.7 57.4 -71.1 -45.0 -21.5 -19.3 48.1 21 22 A N H 3< S+ 0 0 15 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.676 104.7 52.2 -63.5 -18.7 -18.0 -19.8 49.7 22 23 A N T 3< S+ 0 0 67 -4,-1.2 2,-0.5 -5,-0.2 -1,-0.3 0.085 90.3 90.8-105.2 24.5 -19.5 -22.6 51.9 23 24 A N <> - 0 0 45 -3,-2.1 4,-2.6 1,-0.1 5,-0.2 -0.948 62.6-160.4-118.4 107.7 -20.9 -24.4 48.9 24 25 A R H > S+ 0 0 149 -2,-0.5 4,-1.8 2,-0.2 5,-0.1 0.817 89.8 56.9 -62.7 -32.5 -18.4 -26.9 47.5 25 26 A N H > S+ 0 0 114 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.982 112.7 42.8 -62.6 -49.3 -20.0 -27.2 44.1 26 27 A I H >4 S+ 0 0 4 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.941 115.8 47.1 -60.0 -47.5 -19.6 -23.4 43.7 27 28 A M H ><>S+ 0 0 4 -4,-2.6 5,-2.1 -7,-0.4 3,-1.7 0.729 93.7 73.6 -72.4 -25.5 -16.0 -23.2 45.1 28 29 A S H ><5S+ 0 0 29 -4,-1.8 3,-2.0 -5,-0.2 -1,-0.2 0.925 91.4 60.9 -50.3 -39.4 -14.6 -26.1 43.1 29 30 A Y T <<5S+ 0 0 124 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.587 108.8 41.9 -66.7 -12.6 -14.7 -23.7 40.0 30 31 A W T < 5S- 0 0 20 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.312 111.4-122.9-111.3 5.1 -12.3 -21.4 41.9 31 32 A F T < 5 + 0 0 17 -3,-2.0 2,-0.3 -4,-0.4 -3,-0.2 0.863 68.7 137.3 57.8 38.8 -10.1 -24.3 43.1 32 33 A E < - 0 0 101 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.855 63.6-102.3-120.0 148.5 -10.8 -23.0 46.6 33 34 A E - 0 0 86 -2,-0.3 2,-1.3 -3,-0.1 117,-0.0 -0.558 28.6-133.9 -71.1 129.7 -11.6 -24.8 49.8 34 35 A P S S+ 0 0 53 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.432 75.3 93.3 -81.3 54.6 -15.5 -24.6 50.7 35 36 A Y + 0 0 156 -2,-1.3 2,-0.3 -12,-0.1 -13,-0.1 -0.909 40.0 146.1-146.5 114.2 -15.0 -23.7 54.4 36 37 A E - 0 0 33 -2,-0.4 -15,-0.0 -18,-0.1 -14,-0.0 -0.769 38.7-136.2-157.0 120.5 -14.9 -20.2 55.5 37 38 A S > - 0 0 51 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.309 27.8-119.3 -61.3 154.8 -16.1 -18.9 58.7 38 39 A F H > S+ 0 0 37 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.895 116.3 54.0 -64.6 -34.6 -18.1 -15.6 58.3 39 40 A D H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.796 105.4 51.3 -70.6 -26.3 -15.4 -14.0 60.5 40 41 A E H > S+ 0 0 92 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.925 112.5 46.8 -74.1 -43.8 -12.6 -15.2 58.3 41 42 A L H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.945 114.8 45.6 -63.3 -45.5 -14.3 -13.8 55.3 42 43 A E H X S+ 0 0 44 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.923 112.5 49.6 -70.2 -39.1 -15.1 -10.5 56.9 43 44 A E H X S+ 0 0 136 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.859 111.9 48.7 -66.7 -38.3 -11.6 -10.0 58.5 44 45 A L H X S+ 0 0 65 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.793 109.6 53.3 -68.0 -34.3 -10.0 -10.8 55.1 45 46 A Y H < S+ 0 0 32 -4,-1.7 3,-0.3 -5,-0.2 4,-0.3 0.967 110.8 47.1 -62.7 -48.9 -12.4 -8.2 53.5 46 47 A N H >< S+ 0 0 69 -4,-2.9 3,-1.3 1,-0.2 4,-0.3 0.916 110.7 52.5 -55.2 -41.2 -11.3 -5.6 56.1 47 48 A K H 3< S+ 0 0 152 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.850 111.7 44.3 -69.3 -35.1 -7.6 -6.4 55.5 48 49 A H T >< S+ 0 0 56 -4,-1.5 3,-1.2 -3,-0.3 -1,-0.3 0.258 75.8 112.7 -95.5 14.8 -7.8 -6.0 51.8 49 50 A I T < S+ 0 0 79 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.922 89.9 32.6 -52.6 -45.8 -9.9 -2.8 51.6 50 51 A H T 3 S+ 0 0 176 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.324 85.5 127.9 -98.1 10.3 -7.0 -0.8 50.3 51 52 A D X - 0 0 59 -3,-1.2 3,-0.8 1,-0.2 -3,-0.1 -0.508 40.2-166.1 -68.4 116.8 -5.3 -3.5 48.3 52 53 A N T 3 S+ 0 0 91 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.0 0.648 75.6 77.5 -78.2 -11.4 -4.8 -2.2 44.7 53 54 A A T 3 S+ 0 0 33 21,-0.1 22,-2.7 29,-0.0 2,-0.3 0.396 95.9 42.0 -83.9 4.7 -4.0 -5.7 43.4 54 55 A E < - 0 0 42 -3,-0.8 2,-0.4 19,-0.2 19,-0.2 -0.989 53.2-163.3-148.8 153.6 -7.6 -6.8 43.2 55 56 A R E - B 0 72A 62 17,-2.9 17,-2.7 -2,-0.3 2,-0.5 -0.960 14.4-167.1-134.8 122.7 -11.2 -5.7 42.3 56 57 A R E - B 0 71A 49 -2,-0.4 -47,-2.6 15,-0.2 2,-0.3 -0.956 9.3-172.5-113.2 126.8 -14.1 -7.7 43.6 57 58 A F E -AB 8 70A 12 13,-3.7 13,-2.1 -2,-0.5 2,-0.4 -0.867 17.9-147.5-123.0 148.0 -17.6 -7.1 42.2 58 59 A V E -AB 7 69A 0 -51,-2.8 -51,-1.9 -2,-0.3 2,-0.5 -0.844 21.1-138.4-107.5 150.0 -21.1 -8.3 43.0 59 60 A V E +AB 6 68A 0 9,-2.2 8,-3.3 -2,-0.4 9,-0.9 -0.931 26.2 171.9-113.7 129.9 -23.5 -8.7 40.1 60 61 A E E -AB 5 66A 13 -55,-1.6 -55,-2.3 -2,-0.5 6,-0.2 -0.886 22.5-138.8-131.3 166.7 -27.1 -7.6 40.3 61 62 A D > - 0 0 27 4,-1.1 3,-1.2 -2,-0.3 -57,-0.1 -0.322 51.9 -73.6-106.2-166.2 -30.1 -7.3 38.0 62 63 A A T 3 S+ 0 0 67 1,-0.3 -58,-0.1 -2,-0.1 -2,-0.0 0.798 131.6 50.7 -64.5 -37.0 -32.6 -4.4 38.0 63 64 A Q T 3 S- 0 0 145 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.478 120.6-107.3 -80.6 3.1 -34.5 -5.4 41.2 64 65 A K < + 0 0 139 -3,-1.2 2,-0.4 1,-0.3 -2,-0.1 0.839 63.2 160.0 75.4 33.8 -31.0 -5.6 42.9 65 66 A N - 0 0 83 1,-0.0 -4,-1.1 2,-0.0 2,-0.6 -0.759 46.6-116.4 -86.5 139.1 -31.0 -9.4 43.2 66 67 A L E +B 60 0A 52 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.672 38.4 172.8 -81.7 116.4 -27.5 -10.8 43.7 67 68 A I E - 0 0 0 -8,-3.3 22,-2.7 -2,-0.6 2,-0.3 0.763 52.8 -67.5 -93.3 -39.5 -26.7 -12.9 40.6 68 69 A G E -BC 59 88A 0 -9,-0.9 -9,-2.2 20,-0.3 2,-0.3 -0.944 54.3 -69.8 177.7-151.2 -23.1 -13.7 41.2 69 70 A L E -BC 58 87A 4 18,-2.6 18,-1.8 -2,-0.3 2,-0.4 -0.993 18.7-163.2-142.4 139.9 -19.6 -12.4 41.4 70 71 A V E -BC 57 86A 0 -13,-2.1 -13,-3.7 -2,-0.3 2,-0.4 -0.944 16.6-177.5-119.7 137.9 -16.8 -11.0 39.3 71 72 A E E -BC 56 85A 15 14,-2.2 14,-1.7 -2,-0.4 2,-0.5 -0.998 20.0-168.8-138.1 142.5 -13.2 -10.7 40.4 72 73 A L E +BC 55 84A 0 -17,-2.7 -17,-2.9 -2,-0.4 2,-0.3 -0.999 28.5 171.6-121.6 119.9 -9.9 -9.4 39.0 73 74 A I E + C 0 83A 33 10,-2.3 10,-2.7 -2,-0.5 -19,-0.2 -0.879 50.2 32.1-129.5 166.3 -6.9 -10.6 41.1 74 75 A E E S- 0 0 106 -21,-0.3 2,-0.2 -2,-0.3 -20,-0.2 0.821 72.9-175.5 57.7 34.9 -3.2 -10.5 40.9 75 76 A I E - 0 0 10 -22,-2.7 2,-0.5 -3,-0.2 -1,-0.2 -0.417 3.7-166.4 -63.2 124.2 -3.4 -7.2 39.1 76 77 A N E >> - C 0 81A 60 5,-2.1 4,-0.7 -2,-0.2 5,-0.6 -0.977 13.0-158.9-117.4 131.9 0.1 -6.3 38.2 77 78 A Y T 45S+ 0 0 98 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.424 87.2 47.1-104.6 6.5 0.9 -2.9 37.1 78 79 A I T 45S+ 0 0 72 3,-0.1 -1,-0.1 296,-0.0 -2,-0.0 0.783 124.2 31.8 -95.5 -53.2 4.1 -3.4 35.2 79 80 A H T 45S- 0 0 16 2,-0.1 37,-0.2 410,-0.1 -2,-0.2 0.664 98.7-141.6 -77.8 -14.7 2.9 -6.4 33.3 80 81 A R T <5 + 0 0 63 -4,-0.7 36,-2.8 1,-0.2 37,-1.9 0.911 53.7 130.6 54.1 45.8 -0.6 -5.1 33.2 81 82 A S E < +Cd 76 117A 6 -5,-0.6 -5,-2.1 35,-0.2 2,-0.3 -0.827 30.4 175.7-122.5 162.8 -2.2 -8.5 33.6 82 83 A A E - d 0 118A 0 35,-1.3 37,-1.8 -2,-0.3 2,-0.4 -0.965 29.4-115.1-162.0 156.6 -4.8 -10.0 35.9 83 84 A E E -Cd 73 119A 25 -10,-2.7 -10,-2.3 -2,-0.3 2,-0.4 -0.803 27.4-151.3 -95.6 132.9 -6.7 -13.2 36.6 84 85 A F E +C 72 0A 3 35,-2.6 37,-0.4 -2,-0.4 2,-0.3 -0.832 16.7 175.9-107.2 139.3 -10.5 -13.2 36.1 85 86 A Q E -C 71 0A 22 -14,-1.7 -14,-2.2 -2,-0.4 2,-0.3 -0.985 4.7-172.5-141.6 146.1 -12.8 -15.4 38.0 86 87 A I E -C 70 0A 22 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.989 9.4-171.0-142.8 146.0 -16.6 -15.6 38.0 87 88 A I E -C 69 0A 9 -18,-1.8 -18,-2.6 -2,-0.3 2,-0.5 -0.994 7.0-161.2-135.8 130.7 -19.4 -17.3 39.9 88 89 A I E -C 68 0A 25 -2,-0.4 -20,-0.3 -20,-0.2 5,-0.1 -0.948 33.9-112.6-109.2 123.6 -23.0 -17.4 39.1 89 90 A A > - 0 0 0 -22,-2.7 3,-1.1 -2,-0.5 4,-0.4 -0.193 32.5-110.3 -48.3 147.7 -25.3 -18.4 42.0 90 91 A P G > S+ 0 0 57 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.909 117.0 58.2 -47.4 -53.5 -26.9 -21.8 41.4 91 92 A E G 3 S+ 0 0 117 1,-0.3 -2,-0.1 3,-0.0 -24,-0.1 0.818 111.3 44.1 -48.4 -34.6 -30.4 -20.4 40.9 92 93 A H G X S+ 0 0 26 -3,-1.1 3,-0.9 -25,-0.2 5,-0.4 0.338 82.6 117.0 -97.3 8.0 -29.0 -18.2 38.0 93 94 A Q T < S+ 0 0 94 -3,-2.1 -4,-0.0 -4,-0.4 0, 0.0 -0.504 74.2 25.1 -76.6 141.2 -26.9 -20.8 36.2 94 95 A G T 3 S+ 0 0 86 -2,-0.2 -1,-0.2 1,-0.0 -2,-0.0 0.633 86.7 106.6 84.3 19.7 -28.0 -21.5 32.6 95 96 A K S < S- 0 0 119 -3,-0.9 -2,-0.1 0, 0.0 -1,-0.0 0.437 94.5-102.4-108.3 2.2 -29.9 -18.3 31.8 96 97 A G S > S+ 0 0 57 -4,-0.1 4,-0.6 -95,-0.0 3,-0.2 0.555 88.2 119.1 89.9 8.0 -27.3 -16.8 29.4 97 98 A F H >> + 0 0 35 -5,-0.4 4,-2.3 1,-0.2 3,-0.6 0.827 55.7 81.4 -74.8 -29.5 -25.8 -14.3 31.9 98 99 A A H 3> S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.841 92.3 43.0 -42.7 -56.4 -22.4 -15.8 31.6 99 100 A R H 3> S+ 0 0 113 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.821 112.0 54.3 -62.5 -35.4 -21.3 -14.1 28.4 100 101 A T H S+ 0 0 64 -4,-3.0 4,-3.6 -5,-0.2 5,-0.6 0.950 111.7 46.6 -58.4 -45.3 -14.9 -4.0 29.6 108 109 A Y H X>S+ 0 0 60 -4,-2.2 5,-1.8 1,-0.2 4,-1.6 0.982 116.3 46.1 -58.8 -51.1 -13.8 -3.1 33.2 109 110 A S H <5S+ 0 0 0 -4,-2.7 6,-2.3 1,-0.2 -1,-0.2 0.863 125.2 28.8 -57.8 -44.2 -10.4 -4.6 32.6 110 111 A F H <5S+ 0 0 4 -4,-3.1 -1,-0.2 4,-0.2 -2,-0.2 0.727 126.3 37.0 -96.6 -27.3 -9.8 -3.0 29.2 111 112 A T H <5S+ 0 0 72 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.542 131.3 23.4-102.7 -7.6 -11.8 0.3 29.1 112 113 A I T < - 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