==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAR-13 4JLY . COMPND 2 MOLECULE: SPERMIDINE N1-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR ELTOR; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,M.L.KUHN, . 1023 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 711 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 273 26.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 . 38 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 4 2 4 0 4 8 2 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 6 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 . 3 1 5 6 0 6 14 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 . 6 0 0 0 0 0 0 0 0 0 0 0 3 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 68 0, 0.0 3,-0.4 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 -52.5 1.8 43.6 -40.5 2 3 A S + 0 0 128 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.733 360.0 54.2 -55.2 -25.2 5.6 44.3 -40.5 3 4 A Q S S+ 0 0 106 2,-0.0 -1,-0.2 60,-0.0 57,-0.1 0.777 83.3 113.5 -83.0 -31.3 4.9 45.2 -36.8 4 5 A L + 0 0 1 -3,-0.4 2,-0.3 57,-0.1 57,-0.2 -0.073 39.9 178.7 -62.5 140.9 3.2 41.9 -35.7 5 6 A T E -A 60 0A 58 55,-2.7 55,-2.5 2,-0.0 2,-0.3 -0.956 20.2-135.7-141.8 159.2 4.8 39.5 -33.2 6 7 A L E -A 59 0A 47 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.855 17.8-178.8-117.3 149.9 4.0 36.3 -31.5 7 8 A R E -A 58 0A 61 51,-1.9 51,-2.9 -2,-0.3 2,-0.1 -0.993 35.8-104.5-151.1 134.5 4.6 35.4 -27.9 8 9 A A E -A 57 0A 10 -2,-0.3 49,-0.2 886,-0.3 888,-0.2 -0.470 51.1-102.9 -64.6 138.1 3.9 32.2 -26.0 9 10 A L - 0 0 12 47,-2.3 2,-0.3 -2,-0.1 47,-0.1 -0.338 44.0-178.3 -64.2 138.3 0.8 32.6 -23.9 10 11 A E > - 0 0 22 887,-0.1 3,-2.0 -3,-0.1 4,-0.2 -0.878 43.3 -85.4-132.3 175.7 1.1 33.2 -20.2 11 12 A R G > S+ 0 0 92 1,-0.3 3,-2.3 -2,-0.3 4,-0.4 0.798 121.3 59.7 -46.3 -45.9 -1.2 33.6 -17.2 12 13 A G G > S+ 0 0 73 1,-0.3 3,-0.8 2,-0.1 4,-0.3 0.896 100.7 61.5 -47.2 -39.3 -1.7 37.4 -17.7 13 14 A D G <> S+ 0 0 13 -3,-2.0 4,-2.3 1,-0.2 3,-0.3 0.512 76.9 88.7 -69.4 -9.9 -3.1 36.4 -21.0 14 15 A L H <> S+ 0 0 0 -3,-2.3 4,-3.1 -4,-0.2 -1,-0.2 0.887 81.5 57.3 -62.6 -42.5 -6.1 34.3 -19.7 15 16 A R H <> S+ 0 0 125 -3,-0.8 4,-2.3 -4,-0.4 -1,-0.2 0.887 109.6 47.4 -52.6 -43.2 -8.5 37.2 -19.5 16 17 A F H > S+ 0 0 28 -4,-0.3 4,-1.9 -3,-0.3 -2,-0.2 0.949 110.0 50.8 -63.8 -53.1 -7.9 37.9 -23.1 17 18 A I H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.949 112.3 49.2 -45.0 -54.1 -8.4 34.2 -24.1 18 19 A H H 3< S+ 0 0 19 -4,-3.1 -1,-0.2 1,-0.3 3,-0.2 0.876 106.4 53.9 -57.8 -44.6 -11.7 34.2 -22.1 19 20 A N H >< S+ 0 0 97 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.838 109.2 51.8 -60.1 -31.1 -12.9 37.4 -23.8 20 21 A L H << S+ 0 0 11 -4,-1.9 -1,-0.2 -3,-0.6 -2,-0.2 0.865 102.6 56.2 -71.5 -37.6 -12.4 35.6 -27.1 21 22 A N T 3< S+ 0 0 21 -4,-1.5 -1,-0.2 -3,-0.2 4,-0.2 0.123 95.3 75.0 -88.8 24.3 -14.3 32.4 -26.4 22 23 A N S X S+ 0 0 84 -3,-0.7 3,-1.1 1,-0.1 2,-0.9 0.926 92.6 33.7 -96.8 -77.0 -17.5 34.2 -25.5 23 24 A N T 3 S+ 0 0 158 -4,-0.5 -1,-0.1 1,-0.2 -2,-0.1 -0.225 105.6 71.7 -90.1 41.1 -19.5 35.5 -28.4 24 25 A R T 3 S- 0 0 101 -2,-0.9 -1,-0.2 2,-0.2 -2,-0.1 0.512 86.2-149.7-122.7 -28.1 -18.5 32.7 -30.8 25 26 A N < + 0 0 65 -3,-1.1 126,-0.4 1,-0.3 2,-0.3 0.711 50.2 124.4 68.2 28.7 -20.6 30.1 -29.1 26 27 A I S S- 0 0 60 124,-0.1 2,-0.3 -5,-0.1 -1,-0.3 -0.714 77.1-102.4 -80.1 160.0 -19.0 26.8 -29.5 27 28 A M - 0 0 15 -2,-0.3 2,-0.3 258,-0.2 9,-0.1 -0.683 49.1-135.5 -65.4 136.9 -18.4 25.3 -26.1 28 29 A S E -N 35 0B 7 7,-0.7 7,-1.6 -2,-0.3 2,-0.4 -0.709 18.6-154.4-105.4 163.3 -14.7 25.9 -25.6 29 30 A Y E -N 34 0B 62 -2,-0.3 2,-0.4 5,-0.2 3,-0.0 -0.962 17.9-160.4-135.0 145.5 -12.0 23.6 -24.4 30 31 A W E > S-N 33 0B 5 3,-3.0 3,-2.6 -2,-0.4 -2,-0.0 -0.999 91.8 -17.1-119.6 126.3 -8.6 23.6 -22.7 31 32 A F T 3 S- 0 0 25 -2,-0.4 -1,-0.1 1,-0.3 23,-0.0 0.899 129.3 -53.6 40.9 51.1 -6.7 20.3 -23.2 32 33 A E T 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.589 116.3 118.7 65.5 12.9 -9.9 18.7 -24.2 33 34 A E E < -N 30 0B 57 -3,-2.6 -3,-3.0 11,-0.0 -1,-0.2 -0.919 63.9-122.1-109.0 133.8 -11.7 19.8 -21.0 34 35 A P E +N 29 0B 39 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.305 33.4 173.2 -78.1 158.5 -14.7 22.1 -21.3 35 36 A Y E +N 28 0B 8 -7,-1.6 -7,-0.7 1,-0.1 3,-0.1 -0.958 26.8 165.7-166.7 145.4 -15.0 25.7 -19.7 36 37 A E + 0 0 35 -2,-0.3 145,-0.2 -9,-0.1 2,-0.2 0.611 66.0 66.4-128.0 -41.6 -17.2 28.8 -19.5 37 38 A S S > S- 0 0 2 1,-0.1 4,-2.3 143,-0.1 5,-0.2 -0.502 77.6-123.9 -88.2 155.1 -15.9 30.9 -16.5 38 39 A F H > S+ 0 0 24 143,-0.3 4,-3.0 1,-0.2 5,-0.2 0.981 115.3 50.8 -52.5 -58.0 -12.6 32.6 -16.1 39 40 A D H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 106.9 55.1 -49.3 -41.1 -12.0 30.8 -12.9 40 41 A E H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.977 111.9 42.9 -56.8 -58.8 -12.8 27.5 -14.7 41 42 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.869 110.4 55.5 -51.3 -46.1 -10.1 28.3 -17.3 42 43 A E H X S+ 0 0 60 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.962 106.9 50.2 -58.8 -50.4 -7.6 29.5 -14.8 43 44 A E H X S+ 0 0 74 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.935 112.7 48.0 -51.3 -51.4 -7.9 26.2 -12.9 44 45 A L H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.880 106.9 56.0 -57.5 -44.4 -7.3 24.3 -16.2 45 46 A Y H >X S+ 0 0 12 -4,-3.1 3,-0.9 2,-0.2 4,-0.6 0.974 110.4 44.4 -48.8 -59.0 -4.3 26.5 -17.1 46 47 A N H >< S+ 0 0 70 -4,-2.2 3,-1.1 1,-0.3 4,-0.3 0.927 110.9 54.3 -56.3 -46.8 -2.5 25.6 -13.9 47 48 A K H 3< S+ 0 0 136 -4,-2.3 -1,-0.3 -5,-0.2 3,-0.2 0.815 117.3 36.9 -55.7 -31.3 -3.4 21.9 -14.2 48 49 A H H << S+ 0 0 22 -4,-1.6 -1,-0.2 -3,-0.9 -2,-0.2 0.218 74.0 114.3-114.8 14.2 -1.9 21.8 -17.7 49 50 A I S << S+ 0 0 12 -3,-1.1 -1,-0.1 -4,-0.6 -2,-0.1 0.823 86.4 44.6 -52.4 -36.7 1.2 24.1 -17.6 50 51 A H S S+ 0 0 102 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.901 88.9 109.9 -68.7 -42.0 3.5 21.0 -18.2 51 52 A D - 0 0 71 -4,-0.1 3,-0.4 1,-0.1 -3,-0.1 -0.041 44.7-172.5 -56.2 127.8 1.4 19.4 -21.0 52 53 A N + 0 0 62 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.257 63.4 95.6-106.1 8.5 2.9 19.5 -24.5 53 54 A A S S+ 0 0 34 1,-0.2 22,-2.8 21,-0.1 2,-0.3 0.676 94.9 29.7 -70.0 -20.5 -0.2 18.2 -26.4 54 55 A E - 0 0 11 -3,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.994 64.9-167.4-143.0 134.4 -1.1 21.9 -27.1 55 56 A R E - B 0 72A 19 17,-1.6 17,-1.5 -2,-0.3 2,-0.4 -0.989 11.6-161.7-121.8 129.9 0.9 25.1 -27.6 56 57 A R E - B 0 71A 17 -2,-0.4 -47,-2.3 15,-0.2 2,-0.4 -0.881 4.2-166.9-115.5 143.9 -0.7 28.7 -27.6 57 58 A F E -AB 8 70A 13 13,-3.0 13,-3.0 -2,-0.4 2,-0.3 -0.979 11.7-145.2-131.1 133.9 0.6 32.0 -28.9 58 59 A V E -AB 7 69A 0 -51,-2.9 -51,-1.9 -2,-0.4 2,-0.5 -0.682 16.2-140.7 -86.0 142.9 -0.7 35.5 -28.3 59 60 A V E +AB 6 68A 0 9,-2.9 8,-2.5 -2,-0.3 9,-0.9 -0.932 25.4 172.2-103.9 132.8 -0.4 38.0 -31.2 60 61 A E E -AB 5 66A 25 -55,-2.5 -55,-2.7 -2,-0.5 6,-0.2 -0.949 22.3-135.0-132.2 153.2 0.6 41.6 -30.3 61 62 A D > - 0 0 27 4,-1.2 3,-2.9 -2,-0.3 -57,-0.1 -0.482 44.3 -84.4 -96.4 177.1 1.4 44.5 -32.5 62 63 A A T 3 S+ 0 0 52 1,-0.3 -58,-0.0 -2,-0.2 -1,-0.0 0.749 133.8 50.7 -52.6 -27.3 4.3 47.0 -32.0 63 64 A Q T 3 S- 0 0 147 2,-0.1 -1,-0.3 0, 0.0 -60,-0.0 0.411 119.4-113.7 -88.6 1.7 2.0 49.0 -29.6 64 65 A K < + 0 0 126 -3,-2.9 2,-0.3 1,-0.2 -2,-0.1 0.787 58.8 159.1 64.0 35.1 1.3 45.7 -27.7 65 66 A N - 0 0 75 1,-0.0 -4,-1.2 2,-0.0 2,-0.9 -0.660 49.5-115.7 -76.5 141.4 -2.4 45.5 -28.6 66 67 A L E +B 60 0A 57 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.756 42.4 172.5 -86.2 109.7 -3.7 42.0 -28.2 67 68 A I E - 0 0 0 -8,-2.5 22,-2.2 -2,-0.9 2,-0.3 0.871 48.4 -53.6 -93.1 -43.4 -4.6 41.1 -31.7 68 69 A G E -BC 59 88A 0 -9,-0.9 -9,-2.9 20,-0.2 2,-0.4 -0.981 48.6 -92.1-179.8-173.7 -5.5 37.5 -31.6 69 70 A L E -BC 58 87A 0 18,-2.6 18,-2.0 -2,-0.3 2,-0.5 -0.955 15.2-158.1-128.7 138.0 -4.5 34.0 -30.6 70 71 A V E -BC 57 86A 0 -13,-3.0 -13,-3.0 -2,-0.4 2,-0.4 -0.972 20.2-172.0-113.1 118.2 -2.9 31.1 -32.5 71 72 A E E -BC 56 85A 11 14,-2.9 14,-1.9 -2,-0.5 2,-0.4 -0.898 15.3-169.4-108.9 145.4 -3.5 27.6 -31.1 72 73 A L E +BC 55 84A 4 -17,-1.5 -17,-1.6 -2,-0.4 12,-0.2 -0.980 21.4 169.0-122.4 121.3 -2.1 24.2 -31.9 73 74 A I E + C 0 83A 22 10,-3.0 10,-3.1 -2,-0.4 -19,-0.2 -0.746 49.5 36.9-124.5 176.1 -3.8 21.2 -30.4 74 75 A E E S- 0 0 43 -2,-0.2 2,-0.3 1,-0.2 -20,-0.2 0.786 74.2-176.9 57.8 32.1 -3.9 17.4 -30.7 75 76 A I E - 0 0 15 -22,-2.8 2,-0.4 -3,-0.2 7,-0.2 -0.415 6.8-176.5 -69.6 122.3 -0.1 17.5 -31.2 76 77 A N E > - C 0 81A 33 5,-2.5 5,-0.9 -2,-0.3 4,-0.2 -0.946 19.1-165.5-118.3 131.9 1.3 14.1 -31.9 77 78 A Y T 5S+ 0 0 57 -2,-0.4 -1,-0.1 3,-0.2 -2,-0.0 0.263 88.8 56.0-105.3 13.8 5.1 13.4 -32.3 78 79 A I T 5S+ 0 0 11 3,-0.1 -1,-0.1 295,-0.0 -2,-0.0 0.753 122.0 26.5 -93.1 -55.8 4.7 9.9 -33.7 79 80 A H T 5S- 0 0 18 2,-0.1 -2,-0.2 415,-0.1 37,-0.1 0.591 102.6-138.3 -80.8 -5.9 2.5 11.0 -36.6 80 81 A R T 5 + 0 0 4 -4,-0.2 36,-3.2 1,-0.2 37,-1.6 0.874 58.0 125.1 52.7 43.3 4.1 14.5 -36.4 81 82 A S E < +Cd 76 117A 6 -5,-0.9 -5,-2.5 35,-0.2 2,-0.3 -0.819 34.0 177.2-126.6 169.8 0.8 16.3 -36.9 82 83 A A E - d 0 118A 0 35,-1.2 37,-2.1 -2,-0.3 2,-0.5 -0.977 28.6-115.8-164.0 164.0 -1.3 18.8 -35.2 83 84 A E E -Cd 73 119A 26 -10,-3.1 -10,-3.0 -2,-0.3 2,-0.3 -0.936 31.9-159.8-111.3 132.7 -4.5 20.8 -35.5 84 85 A F E +C 72 0A 2 35,-2.8 37,-0.4 -2,-0.5 2,-0.3 -0.724 15.2 165.4-109.9 153.3 -4.3 24.5 -35.9 85 86 A Q E -C 71 0A 56 -14,-1.9 -14,-2.9 -2,-0.3 2,-0.3 -0.957 14.3-156.1-161.7 164.9 -6.8 27.3 -35.3 86 87 A I E -C 70 0A 26 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.955 3.3-166.6-143.6 147.8 -6.8 31.0 -35.0 87 88 A I E -C 69 0A 8 -18,-2.0 -18,-2.6 -2,-0.3 2,-0.4 -0.987 6.6-162.2-139.9 127.7 -9.1 33.6 -33.5 88 89 A I E -C 68 0A 18 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.859 31.8-107.4-109.0 147.2 -8.9 37.3 -34.1 89 90 A A > - 0 0 0 -22,-2.2 3,-2.7 -2,-0.4 4,-0.5 -0.564 31.5-119.3 -73.0 132.8 -10.5 39.8 -31.7 90 91 A P G > S+ 0 0 95 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.853 112.7 61.5 -41.8 -44.3 -13.6 41.2 -33.4 91 92 A E G 3 S+ 0 0 140 1,-0.2 -2,-0.1 3,-0.0 -24,-0.0 0.352 108.8 45.0 -67.7 8.1 -12.1 44.8 -33.2 92 93 A H G X S+ 0 0 24 -3,-2.7 3,-0.7 -25,-0.1 5,-0.4 0.335 81.6 114.9-133.0 1.6 -9.1 43.6 -35.4 93 94 A Q T < S+ 0 0 118 -3,-1.5 -4,-0.0 -4,-0.5 0, 0.0 -0.410 72.8 31.1 -73.3 150.0 -10.7 41.5 -38.3 94 95 A G T 3 S+ 0 0 88 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.800 84.9 109.5 71.0 28.2 -10.5 42.9 -41.8 95 96 A K S < S- 0 0 111 -3,-0.7 -2,-0.1 -94,-0.0 -1,-0.1 0.132 93.7-109.2-113.3 11.1 -7.1 44.5 -41.2 96 97 A G S > S+ 0 0 46 1,-0.1 4,-0.6 -95,-0.0 3,-0.4 0.404 85.1 120.8 79.1 0.6 -5.2 41.9 -43.4 97 98 A F H > + 0 0 25 -5,-0.4 4,-1.9 1,-0.2 3,-0.3 0.846 48.4 80.4 -64.3 -36.9 -3.6 40.2 -40.4 98 99 A A H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.819 91.7 47.7 -50.2 -46.0 -4.9 36.7 -40.9 99 100 A R H > S+ 0 0 108 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.964 109.6 52.1 -57.3 -54.1 -2.5 35.5 -43.6 100 101 A T H X S+ 0 0 36 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.884 111.4 49.3 -51.0 -46.3 0.6 36.8 -41.8 101 102 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.922 108.1 52.1 -57.6 -47.7 -0.5 34.9 -38.7 102 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.913 108.3 51.6 -63.4 -37.5 -1.1 31.7 -40.6 103 104 A N H X S+ 0 0 77 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.924 109.7 49.7 -60.9 -44.1 2.4 31.9 -42.0 104 105 A R H X S+ 0 0 87 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.850 111.0 49.6 -60.4 -39.5 3.9 32.3 -38.6 105 106 A A H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.962 113.8 45.1 -68.3 -47.1 1.9 29.3 -37.3 106 107 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.885 112.4 52.9 -63.1 -33.8 3.0 27.2 -40.2 107 108 A D H X S+ 0 0 69 -4,-2.7 4,-2.2 -5,-0.2 5,-0.4 0.974 112.0 43.4 -66.7 -50.6 6.6 28.5 -39.8 108 109 A Y H <>S+ 0 0 26 -4,-2.7 5,-2.8 1,-0.2 6,-0.4 0.960 116.0 48.9 -56.4 -49.2 6.8 27.5 -36.0 109 110 A S H <5S+ 0 0 0 -4,-2.6 6,-2.6 1,-0.2 -1,-0.2 0.900 119.4 36.4 -60.7 -40.9 5.1 24.2 -36.6 110 111 A F H <5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.582 129.0 27.7 -95.4 -14.5 7.3 23.1 -39.5 111 112 A T T ><5S+ 0 0 13 -4,-2.2 3,-0.5 -3,-0.3 -3,-0.2 0.658 130.9 26.8-103.7 -80.2 10.7 24.6 -38.4 112 113 A I T 3 5S+ 0 0 25 -5,-0.4 773,-0.3 1,-0.2 -3,-0.2 0.872 133.7 35.3 -50.1 -47.7 10.9 24.8 -34.6 113 114 A L T 3 - 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