==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAY-12 4FD6 . COMPND 2 MOLECULE: ARYLALKYLAMINE N-ACETYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; . AUTHOR Q.HAN,R.ROBINSON,J.LI . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 17.9 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 2 0 1 0 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 2 0 2 0 0 1 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 5 A K 0 0 159 0, 0.0 66,-0.6 0, 0.0 67,-0.2 0.000 360.0 360.0 360.0 132.0 34.6 -9.0 30.6 2 6 A L + 0 0 63 64,-0.1 3,-0.2 65,-0.1 2,-0.2 0.503 360.0 66.8 -80.7 -0.2 31.9 -11.0 29.3 3 7 A N + 0 0 98 1,-0.2 64,-0.4 2,-0.0 3,-0.1 -0.629 68.8 54.7-118.8 180.0 30.1 -10.8 32.6 4 8 A N S S+ 0 0 117 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.891 70.4 175.3 63.2 35.6 28.5 -8.3 34.9 5 9 A I - 0 0 33 -3,-0.2 2,-0.3 61,-0.1 61,-0.2 -0.530 16.0-150.6 -68.1 137.4 26.3 -7.3 31.9 6 10 A R E -A 65 0A 110 59,-2.7 59,-2.3 -2,-0.2 2,-0.4 -0.851 2.6-145.9-112.9 149.7 23.7 -4.8 32.9 7 11 A F E +A 64 0A 41 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.971 26.4 161.7-117.4 130.7 20.2 -4.3 31.4 8 12 A E E -A 63 0A 101 55,-2.4 55,-2.8 -2,-0.4 2,-0.2 -0.989 44.4-100.8-143.9 153.4 18.5 -0.9 31.1 9 13 A T E -A 62 0A 50 -2,-0.3 2,-0.5 53,-0.2 53,-0.3 -0.553 52.1-107.6 -70.6 138.3 15.7 0.8 29.2 10 14 A I - 0 0 0 51,-2.8 51,-0.3 -2,-0.2 2,-0.2 -0.559 41.1-172.6 -79.4 119.9 17.3 2.8 26.3 11 15 A S > - 0 0 57 -2,-0.5 3,-2.0 48,-0.0 4,-0.4 -0.625 39.4 -94.4-107.8 169.0 17.2 6.5 26.9 12 16 A S G >> S+ 0 0 79 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.775 116.7 66.3 -58.8 -35.1 18.2 9.3 24.5 13 17 A K G 34 S+ 0 0 182 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.752 107.2 46.1 -58.4 -20.3 21.8 9.7 25.6 14 18 A Y G <> S+ 0 0 67 -3,-2.0 4,-2.8 1,-0.1 -1,-0.3 0.533 82.3 95.9 -99.0 -8.2 22.3 6.2 24.2 15 19 A Y H <> S+ 0 0 36 -3,-1.5 4,-3.3 -4,-0.4 5,-0.3 0.920 85.5 49.9 -52.0 -50.1 20.5 6.5 20.9 16 20 A D H X S+ 0 0 133 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.951 112.5 47.0 -52.1 -51.5 23.8 7.3 19.0 17 21 A D H > S+ 0 0 84 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.924 114.0 48.3 -59.0 -43.0 25.6 4.3 20.5 18 22 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.947 111.1 48.5 -66.9 -44.5 22.6 2.0 19.8 19 23 A I H X S+ 0 0 11 -4,-3.3 4,-2.6 -5,-0.3 -1,-0.2 0.920 111.8 50.8 -64.2 -36.3 22.3 3.2 16.2 20 24 A E H X S+ 0 0 82 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.935 107.2 53.6 -65.5 -42.4 26.0 2.7 15.7 21 25 A H H X>S+ 0 0 13 -4,-2.9 4,-2.5 1,-0.2 5,-0.6 0.949 110.8 47.4 -54.3 -46.1 25.7 -0.8 17.2 22 26 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-1.6 0.902 111.4 49.4 -66.5 -38.4 23.0 -1.6 14.7 23 27 A R H <5S+ 0 0 65 -4,-2.6 19,-2.2 -5,-0.2 21,-0.4 0.885 118.2 40.8 -63.7 -36.0 25.0 -0.2 11.8 24 28 A Q H <5S+ 0 0 89 -4,-2.5 -2,-0.2 17,-0.3 -1,-0.2 0.798 132.9 12.0 -87.3 -30.0 28.0 -2.2 12.7 25 29 A T H <5S+ 0 0 39 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.576 126.9 31.1-127.4 -16.3 26.6 -5.5 13.7 26 30 A F T >X S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 173,-0.2 0.848 109.4 36.7 -50.4 -47.8 18.3 -12.2 6.6 32 36 A L H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 6,-0.1 0.916 116.6 51.8 -75.3 -42.8 16.0 -10.0 4.4 33 37 A N H 4>S+ 0 0 10 1,-0.2 5,-2.7 2,-0.2 3,-0.4 0.935 113.6 46.7 -55.0 -45.6 18.4 -7.0 4.3 34 38 A K H ><5S+ 0 0 64 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.904 105.4 59.0 -63.6 -43.5 21.2 -9.3 3.3 35 39 A A H 3<5S+ 0 0 31 -4,-2.0 167,-0.3 -5,-0.3 -1,-0.2 0.797 115.4 34.9 -58.3 -31.5 19.1 -11.1 0.6 36 40 A V T 3<5S- 0 0 14 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.189 110.0-117.5-110.4 17.9 18.5 -7.8 -1.2 37 41 A N T < 5 + 0 0 141 -3,-1.7 -3,-0.2 -9,-0.1 -4,-0.1 0.907 50.3 167.4 47.3 53.8 21.9 -6.3 -0.5 38 42 A L < - 0 0 14 -5,-2.7 2,-0.3 -6,-0.1 -4,-0.1 0.882 56.5 -37.6 -66.3 -38.3 20.3 -3.4 1.4 39 43 A T - 0 0 22 -6,-0.2 -1,-0.1 -11,-0.2 6,-0.1 -0.923 54.8-112.3-167.5-177.6 23.5 -2.1 3.0 40 44 A R >> - 0 0 165 4,-0.3 3,-1.8 -2,-0.3 4,-0.9 -0.934 49.8 -70.6-134.6 162.7 26.9 -3.1 4.5 41 45 A P T 34 S+ 0 0 83 0, 0.0 -17,-0.3 0, 0.0 -18,-0.1 -0.178 117.5 10.4 -59.5 138.6 28.3 -2.8 8.1 42 46 A G T 34 S+ 0 0 30 -19,-2.2 -18,-0.2 -22,-0.2 -19,-0.1 0.071 112.2 84.9 84.7 -23.7 29.1 0.7 9.3 43 47 A Q T <4 - 0 0 105 -3,-1.8 -19,-0.1 -20,-0.3 -20,-0.1 0.842 69.1-179.1 -80.9 -35.7 27.3 2.2 6.3 44 48 A G < - 0 0 2 -4,-0.9 -4,-0.3 -21,-0.4 -1,-0.1 -0.270 24.7-104.7 69.1-154.3 23.8 2.1 7.7 45 49 A H > - 0 0 17 -6,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.833 10.0-129.7-176.3 127.8 20.7 3.2 5.8 46 50 A P H > S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.878 109.1 42.1 -57.7 -42.1 18.6 6.3 6.1 47 51 A L H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 115.0 49.0 -72.1 -45.3 15.3 4.5 6.2 48 52 A L H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 115.5 45.8 -57.6 -45.0 16.5 1.8 8.6 49 53 A E H X S+ 0 0 42 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.908 111.0 50.9 -69.7 -41.4 18.0 4.4 10.8 50 54 A Q H X S+ 0 0 114 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.919 113.4 46.8 -58.1 -43.6 14.9 6.7 10.7 51 55 A H H X S+ 0 0 94 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.903 112.1 49.5 -67.1 -43.1 12.7 3.7 11.7 52 56 A S H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.902 111.9 48.6 -62.9 -42.3 15.1 2.6 14.5 53 57 A L H X S+ 0 0 61 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.939 110.9 49.6 -64.9 -44.5 15.2 6.1 15.9 54 58 A S H < S+ 0 0 72 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.909 112.6 49.4 -60.4 -39.0 11.4 6.5 15.8 55 59 A T H >< S+ 0 0 2 -4,-2.2 3,-2.2 1,-0.2 5,-0.4 0.951 106.5 54.8 -62.9 -50.1 11.2 3.1 17.5 56 60 A L H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 5,-0.3 0.845 98.0 65.1 -51.1 -36.9 13.7 4.1 20.2 57 61 A K T 3< S+ 0 0 130 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.645 81.3 76.7 -71.3 -9.6 11.5 7.1 21.0 58 62 A D T < S- 0 0 48 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.593 98.7-136.2 -67.8 -12.8 8.7 4.8 22.2 59 63 A N S < S+ 0 0 70 -3,-2.0 -2,-0.1 -4,-0.2 -3,-0.1 0.841 77.2 101.4 61.0 38.1 10.9 4.4 25.3 60 64 A V + 0 0 0 17,-0.5 2,-0.2 -5,-0.4 18,-0.1 0.146 47.5 114.8-131.9 16.5 10.4 0.6 25.6 61 65 A S - 0 0 0 -5,-0.3 -51,-2.8 -51,-0.3 2,-0.4 -0.624 51.8-146.0 -90.9 152.4 13.7 -0.7 24.2 62 66 A I E -AB 9 75A 8 13,-2.3 13,-2.7 -53,-0.3 2,-0.4 -0.928 9.7-164.0-118.8 138.8 16.2 -2.6 26.3 63 67 A M E -AB 8 74A 3 -55,-2.8 -55,-2.4 -2,-0.4 2,-0.6 -0.948 14.2-144.3-121.9 148.0 20.0 -2.6 26.1 64 68 A A E -AB 7 73A 0 9,-2.8 8,-3.2 -2,-0.4 9,-1.9 -0.969 23.7-167.5-105.4 117.0 22.6 -4.9 27.5 65 69 A I E -AB 6 71A 0 -59,-2.3 -59,-2.7 -2,-0.6 6,-0.2 -0.928 9.8-138.0-111.9 130.0 25.7 -2.9 28.5 66 70 A S > - 0 0 1 4,-2.8 3,-2.2 -2,-0.4 -64,-0.1 -0.158 37.1 -86.2 -79.5 177.2 29.0 -4.5 29.4 67 71 A N T 3 S+ 0 0 79 -66,-0.6 -1,-0.1 -64,-0.4 -65,-0.1 0.795 129.7 43.7 -52.8 -38.9 31.5 -3.7 32.2 68 72 A D T 3 S- 0 0 107 -67,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.085 125.1 -98.8 -98.4 21.5 33.2 -1.0 30.1 69 73 A G S < S+ 0 0 33 -3,-2.2 2,-0.1 1,-0.2 -2,-0.1 0.528 72.1 148.1 80.6 6.4 30.0 0.5 28.8 70 74 A D - 0 0 60 1,-0.1 -4,-2.8 -5,-0.1 2,-0.8 -0.466 57.2-110.6 -69.3 144.9 29.9 -1.3 25.4 71 75 A I E +B 65 0A 15 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.713 36.6 179.0 -74.0 111.5 26.5 -2.2 23.9 72 76 A A E - 0 0 0 -8,-3.2 63,-2.9 -2,-0.8 2,-0.3 0.816 63.5 -31.5 -84.2 -34.5 26.5 -5.9 24.1 73 77 A G E -BC 64 134A 0 -9,-1.9 -9,-2.8 61,-0.2 -1,-0.3 -0.987 55.7-145.8-172.0 167.4 23.1 -6.2 22.7 74 78 A V E -BC 63 133A 0 59,-2.2 59,-2.7 -2,-0.3 2,-0.5 -0.991 12.2-152.7-143.8 154.6 19.7 -4.6 22.3 75 79 A A E -BC 62 132A 0 -13,-2.7 -13,-2.3 -2,-0.3 2,-0.7 -0.964 21.3-158.4-118.4 106.1 16.0 -5.3 21.9 76 80 A L E - C 0 131A 1 55,-2.2 54,-2.8 -2,-0.5 55,-2.2 -0.838 19.5-178.5 -88.2 117.8 14.4 -2.5 20.0 77 81 A N E - C 0 129A 0 -2,-0.7 -17,-0.5 52,-0.2 2,-0.3 -0.854 9.0-169.9-120.5 146.3 10.7 -2.5 20.8 78 82 A G E - C 0 128A 0 50,-2.7 50,-3.1 -2,-0.3 2,-0.5 -0.853 23.3-114.6-132.2 170.1 7.9 -0.4 19.6 79 83 A I E - C 0 127A 25 -2,-0.3 2,-0.5 48,-0.2 48,-0.2 -0.925 22.4-160.3-111.4 122.8 4.2 0.2 20.5 80 84 A L E - C 0 126A 47 46,-2.8 46,-2.4 -2,-0.5 2,-0.4 -0.905 8.9-153.3-101.1 127.9 1.5 -0.7 18.0 81 85 A Y E > - C 0 125A 109 -2,-0.5 3,-1.4 44,-0.2 44,-0.2 -0.849 15.4-143.7-104.4 138.5 -1.9 0.9 18.4 82 86 A G T 3 S+ 0 0 39 42,-2.6 43,-0.1 -2,-0.4 -1,-0.1 0.659 99.6 60.8 -67.9 -17.0 -5.1 -0.6 17.2 83 87 A N T 3 S+ 0 0 143 41,-0.4 2,-0.5 2,-0.1 -1,-0.2 0.332 74.1 121.1 -97.0 7.5 -6.4 2.8 16.3 84 88 A T S < S- 0 0 53 -3,-1.4 2,-0.2 1,-0.1 -4,-0.0 -0.639 72.5-111.3 -74.0 124.3 -3.7 3.6 13.7 85 89 A D > - 0 0 77 -2,-0.5 3,-1.4 1,-0.1 4,-0.3 -0.345 18.1-146.6 -56.4 118.6 -5.1 4.3 10.3 86 90 A I T >> S+ 0 0 91 1,-0.3 3,-1.5 -2,-0.2 4,-1.1 0.809 94.0 74.2 -58.4 -39.5 -4.1 1.4 7.9 87 91 A E H 3> S+ 0 0 59 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.836 81.1 75.1 -40.0 -43.5 -3.8 3.8 5.1 88 92 A K H <> S+ 0 0 114 -3,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.872 97.4 43.0 -35.5 -55.5 -0.6 4.9 6.7 89 93 A S H <> S+ 0 0 35 -3,-1.5 4,-3.1 -4,-0.3 -1,-0.2 0.858 109.7 57.0 -74.0 -31.6 1.3 1.9 5.6 90 94 A R H X S+ 0 0 105 -4,-1.1 4,-2.7 -3,-0.3 -2,-0.2 0.969 111.8 42.0 -58.6 -54.6 -0.2 2.0 2.1 91 95 A E H < S+ 0 0 104 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.939 115.8 49.7 -56.6 -51.8 1.0 5.6 1.6 92 96 A K H >X S+ 0 0 68 -4,-2.7 3,-1.3 -5,-0.3 4,-1.2 0.926 111.1 50.7 -51.8 -49.2 4.4 4.7 3.2 93 97 A L H >< S+ 0 0 18 -4,-3.1 3,-0.6 1,-0.3 -2,-0.2 0.931 114.1 42.6 -54.7 -49.9 4.6 1.6 0.9 94 98 A N T 3< S+ 0 0 121 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.376 111.1 59.3 -81.6 5.9 3.9 3.7 -2.2 95 99 A E T <4 S+ 0 0 141 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.652 77.0 106.0-106.1 -23.8 6.2 6.5 -1.1 96 100 A I << - 0 0 22 -4,-1.2 -3,-0.0 -3,-0.6 3,-0.0 -0.321 45.1-170.3 -64.9 139.1 9.5 4.5 -0.7 97 101 A Q + 0 0 192 1,-0.1 2,-0.9 -2,-0.0 -1,-0.1 0.380 63.6 93.3-108.3 -0.2 12.1 5.1 -3.4 98 102 A D > - 0 0 45 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.831 60.9-162.0 -98.0 100.8 14.4 2.3 -2.3 99 103 A E H > S+ 0 0 149 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.894 89.3 47.0 -47.7 -50.4 13.4 -0.7 -4.4 100 104 A S H > S+ 0 0 28 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.916 113.3 47.3 -61.5 -46.8 15.1 -3.2 -2.0 101 105 A F H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 107.4 58.0 -63.2 -40.4 13.6 -1.7 1.1 102 106 A K H X S+ 0 0 81 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.878 101.0 56.4 -57.6 -40.2 10.2 -1.6 -0.5 103 107 A K H X S+ 0 0 79 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.912 110.7 43.2 -57.1 -45.2 10.3 -5.4 -1.1 104 108 A I H X S+ 0 0 13 -4,-1.3 4,-2.5 2,-0.2 5,-0.3 0.953 113.3 51.4 -66.5 -49.4 10.9 -6.0 2.7 105 109 A F H X S+ 0 0 39 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.908 111.1 49.8 -54.5 -42.4 8.3 -3.5 3.7 106 110 A K H X S+ 0 0 79 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.897 107.9 50.2 -67.4 -43.8 5.8 -5.1 1.4 107 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.948 114.0 46.0 -59.0 -46.5 6.3 -8.7 2.5 108 112 A L H X S+ 0 0 46 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 114.4 48.1 -63.8 -43.8 5.9 -7.6 6.2 109 113 A Y H X S+ 0 0 45 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.938 111.9 49.3 -57.3 -50.5 2.8 -5.5 5.4 110 114 A E H < S+ 0 0 54 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.874 112.4 46.5 -60.8 -44.5 1.2 -8.3 3.3 111 115 A Q H >< S+ 0 0 15 -4,-2.3 3,-1.9 -5,-0.2 4,-0.2 0.920 107.7 57.0 -68.4 -40.4 1.7 -10.9 6.0 112 116 A N H >< S+ 0 0 47 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.798 96.0 65.9 -61.4 -25.9 0.4 -8.6 8.7 113 117 A L T 3< S+ 0 0 104 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.666 89.1 68.6 -64.6 -16.4 -2.9 -8.2 6.8 114 118 A K T < S+ 0 0 144 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 0.551 104.5 36.0 -85.5 -8.1 -3.7 -11.9 7.3 115 119 A I < - 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