==== 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 4FD5 . COMPND 2 MOLECULE: ARYLALKYLAMINE N-ACETYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; . AUTHOR Q.HAN,R.ROBINSON,J.LI . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 18.1 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 . 23 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 2 0 0 1 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 7 A N 0 0 100 0, 0.0 2,-0.5 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0-155.5 31.1 16.7 31.9 2 8 A N - 0 0 149 2,-0.0 2,-0.3 61,-0.0 61,-0.0 -0.902 360.0-171.1-101.5 88.2 29.1 18.4 34.5 3 9 A I - 0 0 37 -2,-0.5 2,-0.3 61,-0.1 61,-0.2 -0.656 7.5-153.3 -83.6 140.5 26.7 19.5 31.8 4 10 A R E -A 63 0A 105 59,-2.7 59,-2.8 -2,-0.3 2,-0.5 -0.857 4.1-143.0-114.3 146.0 24.0 22.0 32.8 5 11 A F E +A 62 0A 43 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.951 28.2 165.5-111.7 132.1 20.6 22.4 31.2 6 12 A E E -A 61 0A 79 55,-2.4 55,-2.8 -2,-0.5 2,-0.2 -0.980 42.9-104.0-141.5 152.1 19.1 25.9 30.9 7 13 A T E -A 60 0A 52 -2,-0.3 2,-0.6 53,-0.2 53,-0.3 -0.588 52.4-107.2 -70.2 139.4 16.3 27.8 29.1 8 14 A I - 0 0 0 51,-2.4 51,-0.3 -2,-0.2 2,-0.2 -0.616 40.0-167.8 -81.9 117.6 18.0 29.7 26.2 9 15 A S > - 0 0 52 -2,-0.6 3,-2.1 1,-0.0 4,-0.4 -0.526 37.7 -97.0 -98.1 168.0 18.1 33.4 26.8 10 16 A S G > S+ 0 0 81 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.772 117.7 67.1 -60.3 -29.4 18.9 36.1 24.3 11 17 A K G 3 S+ 0 0 190 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.710 106.2 44.6 -64.0 -17.9 22.6 36.4 25.4 12 18 A Y G <> S+ 0 0 71 -3,-2.1 4,-2.6 1,-0.1 -1,-0.3 0.483 83.6 96.9-102.5 -4.7 23.0 32.9 24.0 13 19 A Y H <> S+ 0 0 32 -3,-1.2 4,-2.8 -4,-0.4 5,-0.2 0.912 86.5 46.0 -54.7 -48.4 21.1 33.3 20.7 14 20 A D H > S+ 0 0 133 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.945 113.4 50.0 -58.8 -45.8 24.2 34.0 18.6 15 21 A D H > S+ 0 0 83 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.866 112.5 48.4 -59.8 -38.4 26.1 31.0 20.2 16 22 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.942 110.7 48.4 -71.7 -43.0 23.1 28.8 19.5 17 23 A I H X S+ 0 0 13 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.922 110.9 51.3 -66.8 -38.3 22.7 29.8 15.9 18 24 A E H X S+ 0 0 81 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.933 107.2 53.9 -60.1 -44.0 26.4 29.3 15.3 19 25 A H H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 5,-0.5 0.945 110.5 47.5 -54.2 -45.9 26.1 25.8 16.9 20 26 A L H X>S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-1.9 0.951 110.1 51.3 -63.9 -44.8 23.4 25.1 14.4 21 27 A R H <5S+ 0 0 64 -4,-2.9 19,-2.4 1,-0.2 21,-0.4 0.864 118.5 38.8 -57.5 -36.0 25.4 26.4 11.5 22 28 A Q H <5S+ 0 0 105 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.798 133.3 15.1 -89.0 -28.1 28.3 24.2 12.4 23 29 A T H <5S+ 0 0 28 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.674 126.8 25.1-123.3 -20.7 26.6 21.1 13.5 24 30 A F T >X5S+ 0 0 36 -4,-2.6 4,-1.4 -5,-0.5 3,-1.0 0.846 97.1 63.7-118.5 -55.6 23.0 20.9 12.4 25 31 A F T 34 S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 173,-0.2 0.857 107.7 36.9 -49.9 -49.9 18.1 14.9 6.3 30 36 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.919 116.1 52.2 -71.2 -45.3 15.9 17.2 4.1 31 37 A N H 4>S+ 0 0 12 1,-0.2 5,-2.6 2,-0.2 6,-0.3 0.918 113.8 45.5 -53.2 -44.7 18.3 20.1 4.1 32 38 A K H ><5S+ 0 0 81 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.910 106.6 59.0 -68.4 -42.5 21.0 17.8 2.9 33 39 A A H 3<5S+ 0 0 25 -4,-2.1 167,-0.3 -5,-0.3 -1,-0.2 0.841 115.2 34.7 -54.9 -37.3 18.8 16.1 0.3 34 40 A V T 3<5S- 0 0 12 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.192 108.8-117.4-107.9 17.9 18.2 19.3 -1.5 35 41 A N T < 5 + 0 0 139 -3,-1.4 -3,-0.2 -4,-0.1 -4,-0.1 0.885 52.9 163.2 52.5 45.9 21.6 20.9 -0.9 36 42 A L < - 0 0 15 -5,-2.6 2,-0.2 -6,-0.2 -4,-0.1 0.880 61.3 -16.9 -64.8 -38.5 20.1 23.8 1.0 37 43 A T - 0 0 17 -6,-0.3 6,-0.1 -12,-0.1 -1,-0.1 -0.844 65.7-109.5-154.7-175.6 23.3 24.8 2.6 38 44 A R >> - 0 0 172 4,-0.3 3,-2.2 -2,-0.2 4,-0.7 -0.887 51.1 -75.5-125.8 155.1 26.9 23.8 3.4 39 45 A P T 34 S+ 0 0 109 0, 0.0 -17,-0.2 0, 0.0 -18,-0.1 -0.286 118.2 3.8 -53.9 129.2 28.5 22.9 6.7 40 46 A G T 34 S+ 0 0 22 -19,-2.4 -18,-0.2 -20,-0.2 -19,-0.1 0.228 109.0 95.8 86.7 -12.8 29.2 26.1 8.6 41 47 A Q T <4 - 0 0 115 -3,-2.2 -20,-0.1 -20,-0.2 -19,-0.1 0.840 64.3-165.2 -84.8 -36.6 27.5 28.4 6.1 42 48 A G < - 0 0 3 -4,-0.7 -4,-0.3 -21,-0.4 -1,-0.1 -0.277 14.9-111.7 77.3-167.4 24.0 28.8 7.5 43 49 A H > - 0 0 16 1,-0.1 4,-2.5 -6,-0.1 5,-0.3 -0.905 10.2-128.3-168.1 133.0 21.0 30.1 5.6 44 50 A P H > S+ 0 0 104 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.892 109.1 43.1 -60.4 -40.4 19.0 33.3 6.0 45 51 A L H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 114.1 50.2 -72.3 -42.7 15.6 31.6 6.2 46 52 A L H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 115.0 44.5 -57.6 -44.3 16.7 28.8 8.5 47 53 A E H X S+ 0 0 38 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.890 110.8 52.9 -71.8 -39.4 18.3 31.3 10.8 48 54 A Q H X S+ 0 0 123 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.921 112.4 46.7 -56.8 -45.0 15.3 33.7 10.7 49 55 A H H X S+ 0 0 99 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 112.1 49.2 -65.4 -46.2 13.1 30.7 11.6 50 56 A S H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.872 111.2 49.9 -61.7 -39.0 15.4 29.6 14.5 51 57 A L H X S+ 0 0 53 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.945 110.2 49.8 -66.2 -45.3 15.6 33.1 15.9 52 58 A S H < S+ 0 0 75 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.929 112.7 48.3 -55.9 -44.1 11.8 33.4 15.8 53 59 A T H >< S+ 0 0 2 -4,-2.5 3,-2.0 1,-0.2 5,-0.4 0.939 107.2 55.1 -61.3 -47.8 11.6 30.0 17.6 54 60 A L H >< S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.3 5,-0.4 0.868 98.0 64.3 -53.2 -40.1 14.2 31.0 20.2 55 61 A K T 3< S+ 0 0 132 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.628 81.6 77.3 -67.0 -10.1 12.1 34.1 21.1 56 62 A D T < S- 0 0 51 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.585 98.6-137.0 -70.0 -9.8 9.3 31.8 22.3 57 63 A N S < S+ 0 0 75 -3,-2.2 -2,-0.1 -4,-0.2 -3,-0.1 0.794 77.1 101.1 61.7 33.2 11.5 31.4 25.4 58 64 A V + 0 0 0 17,-0.5 2,-0.2 -5,-0.4 -1,-0.1 0.207 47.8 114.2-129.2 14.5 10.9 27.6 25.7 59 65 A S - 0 0 0 -5,-0.4 -51,-2.4 -51,-0.3 2,-0.4 -0.593 52.2-145.7 -87.0 152.2 14.1 26.3 24.1 60 66 A I E -AB 7 73A 8 13,-2.3 13,-2.7 -53,-0.3 2,-0.4 -0.923 9.5-164.2-119.9 138.0 16.7 24.3 26.2 61 67 A M E -AB 6 72A 4 -55,-2.8 -55,-2.4 -2,-0.4 2,-0.6 -0.945 15.5-144.3-115.7 145.8 20.5 24.2 25.9 62 68 A A E -AB 5 71A 0 9,-2.9 8,-3.1 -2,-0.4 9,-1.8 -0.962 29.9-174.0 -99.2 120.9 22.9 21.7 27.3 63 69 A I E -AB 4 69A 0 -59,-2.8 -59,-2.7 -2,-0.6 6,-0.2 -0.953 14.5-132.9-126.5 135.1 26.0 23.8 28.2 64 70 A S > - 0 0 0 4,-2.6 3,-2.1 -2,-0.4 -61,-0.1 -0.209 34.2 -93.9 -83.9 174.8 29.3 22.6 29.4 65 71 A N T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -62,-0.1 0.805 127.2 49.4 -57.6 -33.0 31.5 23.7 32.4 66 72 A D T 3 S- 0 0 104 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.259 124.4-103.3 -93.0 12.1 33.5 26.0 30.0 67 73 A G S < S+ 0 0 30 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.551 70.1 148.3 83.2 9.6 30.2 27.5 28.6 68 74 A D - 0 0 55 1,-0.1 -4,-2.6 -5,-0.0 2,-0.8 -0.526 55.5-112.9 -74.9 141.1 30.2 25.6 25.3 69 75 A I E +B 63 0A 14 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.656 35.9 177.2 -71.9 110.6 26.9 24.7 23.7 70 76 A A E - 0 0 0 -8,-3.1 63,-2.7 -2,-0.8 2,-0.3 0.805 63.5 -31.8 -85.0 -33.6 26.9 20.9 23.9 71 77 A G E -BC 62 132A 0 -9,-1.8 -9,-2.9 61,-0.3 -1,-0.3 -0.976 56.8-144.8-172.7 167.3 23.4 20.6 22.4 72 78 A V E -BC 61 131A 0 59,-2.5 59,-2.6 -2,-0.3 2,-0.5 -0.989 12.5-155.2-142.2 155.3 20.0 22.2 22.0 73 79 A A E -BC 60 130A 0 -13,-2.7 -13,-2.3 -2,-0.3 2,-0.7 -0.964 21.3-158.4-120.8 108.6 16.3 21.6 21.7 74 80 A L E - C 0 129A 1 55,-2.2 54,-2.9 -2,-0.5 55,-1.9 -0.840 18.2-176.0 -90.2 122.0 14.7 24.5 19.9 75 81 A N E - C 0 127A 0 -2,-0.7 -17,-0.5 52,-0.2 2,-0.3 -0.916 8.4-168.2-124.2 139.9 11.0 24.5 20.8 76 82 A G E - C 0 126A 0 50,-2.8 50,-3.0 -2,-0.4 2,-0.6 -0.821 22.1-117.4-124.3 166.1 8.2 26.7 19.6 77 83 A I E - C 0 125A 26 -2,-0.3 2,-0.5 48,-0.2 48,-0.2 -0.915 23.0-161.4-107.5 122.5 4.6 27.4 20.6 78 84 A L E - C 0 124A 35 46,-2.7 46,-2.4 -2,-0.6 2,-0.4 -0.879 8.0-151.9 -99.7 132.2 1.8 26.6 18.1 79 85 A Y E > - C 0 123A 110 -2,-0.5 3,-1.2 44,-0.2 44,-0.2 -0.851 14.9-143.6-106.3 139.8 -1.6 28.2 18.6 80 86 A G T 3 S+ 0 0 27 42,-2.5 43,-0.1 -2,-0.4 -1,-0.1 0.725 101.5 56.2 -66.9 -23.0 -4.9 26.7 17.5 81 87 A N T 3 S+ 0 0 143 41,-0.5 -1,-0.2 2,-0.0 2,-0.2 0.355 75.3 127.3 -95.7 7.0 -6.3 30.1 16.5 82 88 A T S < S- 0 0 46 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.480 70.9-100.7 -64.5 128.1 -3.4 30.9 14.1 83 89 A D > - 0 0 86 -2,-0.2 3,-0.5 1,-0.1 4,-0.4 -0.093 19.0-136.1 -54.8 146.7 -4.8 31.9 10.7 84 90 A I T 3 S+ 0 0 112 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.153 101.1 62.1 -97.2 15.5 -4.8 29.3 8.0 85 91 A E T 3> S+ 0 0 114 2,-0.1 4,-1.3 3,-0.1 5,-0.2 0.521 83.0 87.9-101.4 -19.0 -3.6 31.7 5.3 86 92 A K H <> S+ 0 0 110 -3,-0.5 4,-1.2 1,-0.2 3,-0.4 0.901 96.0 28.8 -45.5 -62.1 -0.4 32.1 7.3 87 93 A S H > S+ 0 0 32 -4,-0.4 4,-2.7 1,-0.2 3,-0.3 0.953 115.0 57.9 -70.0 -51.8 1.6 29.2 5.9 88 94 A R H > S+ 0 0 113 1,-0.2 4,-0.7 -4,-0.2 -1,-0.2 0.608 105.4 53.9 -61.8 -11.9 0.1 29.0 2.4 89 95 A E H X S+ 0 0 101 -4,-1.3 4,-1.4 -3,-0.4 -1,-0.2 0.895 109.5 45.4 -82.6 -49.1 1.1 32.6 1.7 90 96 A K H X S+ 0 0 63 -4,-1.2 4,-1.4 -3,-0.3 -2,-0.2 0.890 105.6 61.7 -59.7 -41.4 4.8 32.1 2.6 91 97 A L H < S+ 0 0 19 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.918 110.2 42.0 -50.0 -44.0 4.8 28.9 0.5 92 98 A N H < S+ 0 0 127 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.784 112.2 57.2 -69.6 -28.8 4.0 31.2 -2.4 93 99 A E H < S+ 0 0 121 -4,-1.4 2,-0.3 -3,-0.2 -2,-0.2 0.627 77.8 106.3 -84.8 -15.5 6.5 33.8 -1.2 94 100 A I < - 0 0 21 -4,-1.4 6,-0.0 -3,-0.4 -4,-0.0 -0.476 42.3-171.8 -78.0 131.7 9.8 31.9 -1.1 95 101 A Q + 0 0 193 -2,-0.3 2,-1.0 1,-0.1 -1,-0.1 0.587 66.7 91.2 -90.6 -14.0 12.5 32.4 -3.7 96 102 A D > - 0 0 47 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.758 63.0-162.4 -86.5 102.7 14.6 29.5 -2.5 97 103 A E H > S+ 0 0 153 -2,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.874 88.2 48.1 -46.7 -49.0 13.4 26.5 -4.5 98 104 A S H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 110.7 49.5 -64.5 -48.8 14.9 24.0 -2.1 99 105 A F H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 108.1 55.4 -56.7 -43.9 13.5 25.6 1.0 100 106 A K H X S+ 0 0 90 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.870 102.8 55.6 -60.3 -37.6 10.1 25.7 -0.7 101 107 A K H X S+ 0 0 83 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.933 112.0 43.6 -57.6 -46.5 10.3 21.9 -1.3 102 108 A I H X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.958 113.8 48.8 -63.6 -51.8 10.8 21.3 2.4 103 109 A F H X S+ 0 0 37 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.924 111.5 52.1 -52.7 -47.3 8.2 23.9 3.6 104 110 A K H X S+ 0 0 84 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.910 108.0 49.2 -59.1 -47.2 5.7 22.3 1.2 105 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.948 113.9 45.8 -60.2 -46.3 6.2 18.7 2.4 106 112 A L H X S+ 0 0 45 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.927 114.0 48.6 -65.8 -41.6 5.8 19.7 6.0 107 113 A Y H X S+ 0 0 54 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.950 112.1 49.5 -58.0 -49.8 2.7 21.9 5.3 108 114 A E H < S+ 0 0 57 -4,-2.7 3,-0.4 1,-0.2 4,-0.3 0.904 111.9 46.8 -58.5 -45.2 1.1 19.1 3.3 109 115 A Q H >< S+ 0 0 13 -4,-2.5 3,-1.8 1,-0.2 4,-0.2 0.919 107.9 56.6 -68.8 -38.4 1.7 16.5 5.9 110 116 A N H >< S+ 0 0 48 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.745 95.6 66.8 -64.1 -23.3 0.4 18.7 8.7 111 117 A L T 3< S+ 0 0 107 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.668 89.7 66.8 -64.8 -15.6 -2.9 19.1 6.8 112 118 A K T < S+ 0 0 137 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 0.558 104.7 37.4 -90.6 -7.1 -3.7 15.5 7.4 113 119 A I < - 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