==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-10 3N0M . COMPND 2 MOLECULE: AMINOGLYCOSIDE N3-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR M.M.KLIMECKA,M.CHRUSZCZ,P.J.POREBSKI,M.CYMBOROWSKI,W.F.ANDER . 529 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 11.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 27 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 3 0 3 4 2 2 3 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 0 2 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 . 0 2 0 0 6 0 0 0 2 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 . 1 1 0 0 0 2 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 -1 A N > 0 0 96 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.3 10.5 10.9 -0.8 2 0 A A H > + 0 0 67 2,-0.2 4,-3.0 3,-0.1 5,-0.4 0.894 360.0 49.6 -96.9 -56.9 7.3 12.0 -2.7 3 1 A X H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.928 114.3 52.3 -49.6 -39.0 4.5 12.0 -0.3 4 2 A N H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 110.1 46.9 -61.7 -44.5 7.0 14.1 1.9 5 3 A D H X S+ 0 0 99 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.964 108.8 53.1 -62.6 -54.5 7.6 16.6 -0.9 6 4 A I H < S+ 0 0 31 -4,-3.0 39,-0.8 1,-0.2 -1,-0.2 0.869 111.7 47.5 -48.8 -43.3 3.9 17.0 -1.7 7 5 A V H >< S+ 0 0 17 -4,-1.8 3,-1.3 -5,-0.4 -1,-0.2 0.930 112.2 48.7 -64.1 -47.7 3.3 17.8 1.9 8 6 A A H 3< S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.839 108.2 54.3 -62.9 -36.0 6.2 20.2 2.1 9 7 A S T 3< S+ 0 0 69 -4,-2.8 2,-0.5 -5,-0.1 -1,-0.3 0.318 94.6 89.4 -83.0 10.6 5.1 22.1 -1.1 10 8 A T < - 0 0 15 -3,-1.3 34,-0.1 -5,-0.2 33,-0.0 -0.928 53.8-168.6-116.8 131.3 1.6 22.7 0.3 11 9 A Q S S- 0 0 170 -2,-0.5 -1,-0.1 1,-0.3 33,-0.0 0.919 80.3 -3.1 -79.9 -50.6 0.6 25.7 2.4 12 10 A L S S- 0 0 105 33,-0.1 -1,-0.3 343,-0.0 2,-0.1 -0.959 94.8 -87.4-136.9 153.6 -2.9 24.5 3.7 13 11 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.369 36.3-122.9 -69.3 139.6 -4.5 21.2 2.7 14 12 A N B +a 46 0A 14 31,-2.7 33,-3.4 4,-0.1 2,-0.3 -0.588 38.4 177.9 -75.8 140.8 -6.7 21.0 -0.4 15 13 A T > - 0 0 6 -2,-0.3 4,-3.2 31,-0.2 5,-0.4 -0.844 49.1 -91.8-134.9 172.1 -10.2 19.7 0.3 16 14 A I H > S+ 0 0 37 31,-0.3 4,-2.3 347,-0.3 5,-0.1 0.920 128.2 49.0 -48.9 -46.3 -13.4 19.0 -1.4 17 15 A K H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 113.7 42.2 -61.4 -54.5 -14.3 22.7 -0.5 18 16 A T H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 115.8 49.8 -59.6 -49.5 -11.1 24.3 -1.8 19 17 A I H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.904 109.2 52.6 -57.0 -45.8 -11.0 22.2 -4.9 20 18 A T H X S+ 0 0 4 -4,-2.3 4,-1.8 -5,-0.4 -1,-0.2 0.899 109.8 48.6 -57.2 -46.0 -14.6 23.1 -5.6 21 19 A N H X S+ 0 0 97 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.953 111.4 49.7 -53.3 -54.2 -13.9 26.9 -5.3 22 20 A D H X S+ 0 0 30 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.901 109.6 51.4 -56.0 -45.2 -10.9 26.6 -7.6 23 21 A L H X>S+ 0 0 2 -4,-2.6 5,-2.5 -5,-0.2 4,-0.6 0.904 113.1 45.6 -55.6 -42.0 -13.0 24.7 -10.2 24 22 A R H ><5S+ 0 0 127 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.875 110.4 50.7 -77.4 -38.2 -15.7 27.4 -10.1 25 23 A K H 3<5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.2 54.8 -64.9 -31.5 -13.3 30.3 -10.3 26 24 A L H 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.679 128.8 -96.0 -71.2 -24.4 -11.8 28.6 -13.3 27 25 A G T <<5S+ 0 0 31 -4,-0.6 2,-0.3 -3,-0.6 -3,-0.2 0.420 74.7 139.8 117.4 1.3 -15.1 28.3 -15.1 28 26 A L < + 0 0 3 -5,-2.5 -1,-0.4 -6,-0.2 2,-0.3 -0.617 31.4 171.0 -71.0 136.7 -16.6 24.8 -14.3 29 27 A K > - 0 0 132 -2,-0.3 3,-1.7 33,-0.0 31,-0.1 -0.983 36.5 -68.3-150.8 156.6 -20.3 25.2 -13.7 30 28 A K T 3 S+ 0 0 138 -2,-0.3 31,-0.2 1,-0.2 32,-0.2 -0.052 113.1 15.8 -41.6 132.8 -23.6 23.3 -13.1 31 29 A G T 3 S+ 0 0 34 30,-2.4 -1,-0.2 1,-0.3 2,-0.1 0.399 91.1 137.6 84.6 0.2 -25.0 21.4 -16.1 32 30 A X < - 0 0 14 -3,-1.7 34,-2.4 33,-0.1 2,-0.5 -0.403 51.5-131.6 -78.1 151.4 -21.7 21.5 -18.1 33 31 A T E +b 66 0B 13 32,-0.2 137,-3.1 135,-0.1 2,-0.4 -0.928 36.3 173.1-102.2 124.8 -20.3 18.5 -20.1 34 32 A V E -bc 67 170B 0 32,-2.7 34,-2.6 -2,-0.5 2,-0.5 -0.996 32.0-154.2-143.3 136.2 -16.7 17.9 -19.4 35 33 A I E -bc 68 171B 0 135,-2.4 137,-3.0 -2,-0.4 2,-0.4 -0.971 29.4-157.5-105.7 125.9 -13.9 15.4 -20.1 36 34 A V E - c 0 172B 1 32,-2.4 2,-0.4 -2,-0.5 137,-0.2 -0.887 18.6-179.8-117.4 134.9 -11.3 15.5 -17.4 37 35 A H E + c 0 173B 11 135,-2.6 137,-3.0 -2,-0.4 2,-0.3 -0.994 21.8 174.4-131.5 134.7 -7.7 14.5 -17.3 38 36 A S E - c 0 174B 19 74,-0.4 2,-0.5 -2,-0.4 137,-0.2 -0.957 40.2-147.7-148.9 154.6 -5.6 14.8 -14.2 39 37 A S > - 0 0 31 135,-2.2 4,-0.6 -2,-0.3 3,-0.1 -0.973 19.3-160.5-114.5 117.6 -2.5 14.4 -12.1 40 38 A L T >4 S+ 0 0 47 -2,-0.5 3,-1.2 1,-0.2 4,-0.5 0.936 88.8 50.7 -61.9 -46.5 -3.4 14.0 -8.5 41 39 A S G >4 S+ 0 0 71 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.852 96.1 69.5 -62.9 -34.5 0.0 14.9 -7.1 42 40 A S G 34 S+ 0 0 33 1,-0.3 -1,-0.3 132,-0.2 -2,-0.2 0.752 92.4 61.2 -57.1 -27.2 0.3 18.1 -9.1 43 41 A I G << S- 0 0 2 -3,-1.2 201,-2.9 -4,-0.6 -1,-0.3 0.840 107.8-122.3 -67.2 -30.4 -2.5 19.6 -7.0 44 42 A G < - 0 0 3 -3,-1.5 -1,-0.2 -4,-0.5 2,-0.2 -0.582 59.3 -17.4 103.2 179.9 -0.6 19.4 -3.7 45 43 A W - 0 0 31 -39,-0.8 -31,-2.7 -2,-0.2 2,-0.4 -0.399 67.2-166.2 -67.7 129.9 -1.6 17.5 -0.6 46 44 A I B > -a 14 0A 11 -33,-0.2 3,-1.6 -2,-0.2 2,-1.0 -0.955 24.6-126.2-124.0 129.4 -5.3 16.7 -0.6 47 45 A S T 3 S+ 0 0 1 -33,-3.4 -31,-0.3 -2,-0.4 294,-0.1 -0.626 105.2 10.3 -75.4 104.2 -7.5 15.6 2.3 48 46 A G T >> S- 0 0 20 -2,-1.0 3,-1.1 292,-0.1 4,-0.7 0.358 95.5-144.6 110.1 -0.0 -9.0 12.5 0.9 49 47 A G H X> S+ 0 0 19 -3,-1.6 4,-1.4 1,-0.2 3,-0.7 -0.061 74.3 3.5 44.0-132.5 -6.9 12.2 -2.3 50 48 A A H 3> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.835 130.2 58.5 -50.7 -41.5 -8.7 10.9 -5.4 51 49 A V H <> S+ 0 0 12 -3,-1.1 4,-2.7 1,-0.2 5,-0.3 0.937 103.4 53.3 -59.5 -42.8 -12.0 10.7 -3.7 52 50 A A H < - 0 0 28 -4,-2.5 3,-2.7 -5,-0.5 78,-0.4 0.350 45.3 -63.7 64.1 167.5 -24.0 17.9 -10.7 63 61 A E T 3 S+ 0 0 121 1,-0.3 77,-0.2 76,-0.2 -1,-0.2 0.622 134.7 61.0 -58.2 -13.4 -26.3 15.2 -12.0 64 62 A E T 3 S+ 0 0 106 -3,-0.2 -1,-0.3 75,-0.1 -2,-0.2 0.564 105.2 54.3 -89.4 -13.3 -27.6 17.7 -14.5 65 63 A G S < S- 0 0 0 -3,-2.7 75,-2.8 -4,-0.3 2,-0.3 -0.405 85.2-126.5-100.5-174.9 -24.2 18.1 -16.0 66 64 A T E -bD 33 139B 0 -34,-2.4 -32,-2.7 73,-0.3 2,-0.4 -0.996 12.9-161.3-141.2 137.0 -21.9 15.2 -17.3 67 65 A I E -bD 34 138B 0 71,-2.7 71,-2.4 -2,-0.3 2,-0.3 -0.960 12.6-176.1-116.9 134.3 -18.3 14.2 -16.4 68 66 A I E +bD 35 137B 0 -34,-2.6 -32,-2.4 -2,-0.4 69,-0.2 -0.967 5.2 177.2-129.6 145.2 -16.3 11.9 -18.7 69 67 A X E - D 0 136B 1 67,-2.6 67,-3.2 -2,-0.3 2,-0.2 -0.989 35.2-106.0-142.5 149.0 -12.9 10.4 -18.4 70 68 A P E - D 0 135B 5 0, 0.0 65,-0.3 0, 0.0 2,-0.1 -0.485 26.0-171.0 -70.5 139.3 -10.8 8.1 -20.5 71 69 A T + 0 0 0 63,-2.8 63,-0.4 -2,-0.2 2,-0.2 -0.567 18.5 177.0-128.1 62.3 -10.6 4.5 -19.1 72 70 A Q - 0 0 51 61,-0.2 38,-2.3 -2,-0.1 61,-0.2 -0.467 19.2-172.6 -80.4 143.7 -8.0 3.0 -21.4 73 71 A S > + 0 0 0 59,-2.3 3,-1.5 36,-0.2 60,-0.1 -0.663 17.4 160.6-133.4 70.5 -6.7 -0.5 -20.9 74 72 A S G > + 0 0 56 36,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.723 62.2 84.1 -76.6 -15.5 -3.8 -1.0 -23.3 75 73 A D G 3 S+ 0 0 55 1,-0.3 -1,-0.3 -3,-0.1 238,-0.1 0.801 87.3 59.1 -42.2 -33.8 -2.6 -3.9 -21.3 76 74 A L G < S+ 0 0 10 -3,-1.5 -1,-0.3 55,-0.2 -2,-0.2 0.342 86.3 106.9 -85.6 7.2 -5.1 -5.9 -23.3 77 75 A S S < S- 0 0 22 -3,-2.2 124,-0.2 1,-0.1 5,-0.1 -0.406 84.5 -76.6 -94.9 161.8 -3.7 -5.1 -26.8 78 76 A D > - 0 0 19 122,-0.9 3,-0.9 1,-0.2 -1,-0.1 -0.291 37.6-146.1 -55.5 124.6 -1.8 -7.2 -29.4 79 77 A P G > S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 8,-0.3 0.647 85.5 84.7 -74.8 -11.0 1.8 -7.4 -28.1 80 78 A K G 3 S+ 0 0 34 1,-0.3 7,-0.1 12,-0.1 9,-0.1 0.931 97.8 41.1 -52.5 -43.3 3.2 -7.4 -31.6 81 79 A H G < S+ 0 0 99 -3,-0.9 -1,-0.3 5,-0.0 2,-0.1 0.378 84.0 131.4 -87.6 2.2 3.0 -3.7 -31.5 82 80 A W < + 0 0 53 -3,-1.9 5,-0.2 1,-0.2 -4,-0.0 -0.376 15.6 151.1 -65.2 132.0 4.2 -3.2 -27.9 83 81 A S + 0 0 84 -2,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.686 56.4 67.0-119.6 -48.9 6.9 -0.6 -27.7 84 82 A R S S+ 0 0 207 1,-0.3 -2,-0.0 2,-0.0 185,-0.0 0.926 131.9 0.0 -53.3 -65.6 6.9 1.1 -24.3 85 83 A P S S- 0 0 25 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.979 93.2-151.9-106.2 137.5 7.9 -2.1 -22.8 86 84 A P - 0 0 84 0, 0.0 -3,-0.1 0, 0.0 -6,-0.1 -0.578 4.9-150.2-101.3 172.1 8.3 -4.9 -25.4 87 85 A V - 0 0 10 -8,-0.3 5,-0.1 -5,-0.2 -5,-0.1 -0.995 26.5 -98.8-147.6 134.5 8.0 -8.7 -25.3 88 86 A P >> - 0 0 63 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.192 34.5-118.7 -49.8 134.7 9.6 -11.7 -27.2 89 87 A E H 3> S+ 0 0 132 1,-0.3 4,-0.9 2,-0.2 3,-0.2 0.716 109.8 70.2 -46.9 -33.5 7.5 -13.2 -30.0 90 88 A E H 3> S+ 0 0 138 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.889 103.1 46.3 -56.6 -33.2 7.3 -16.6 -28.3 91 89 A W H X> S+ 0 0 6 -3,-2.2 4,-3.1 1,-0.2 3,-0.6 0.838 94.0 79.8 -71.8 -36.1 5.1 -14.8 -25.8 92 90 A W H 3X S+ 0 0 44 -4,-0.8 4,-1.9 1,-0.3 -1,-0.2 0.829 96.6 40.0 -48.7 -50.4 2.9 -13.1 -28.3 93 91 A Q H 3X S+ 0 0 95 -4,-0.9 4,-1.1 2,-0.2 -1,-0.3 0.803 114.9 53.2 -71.8 -33.1 0.7 -16.0 -29.2 94 92 A I H XX S+ 0 0 55 -4,-0.6 4,-1.2 -3,-0.6 3,-0.6 0.951 108.0 51.7 -61.6 -51.5 0.5 -17.2 -25.6 95 93 A I H >X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.3 3,-0.5 0.881 109.1 49.8 -51.8 -47.2 -0.7 -13.6 -24.6 96 94 A R H 3< S+ 0 0 42 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.772 114.5 45.7 -61.5 -31.4 -3.4 -13.6 -27.3 97 95 A D H << S+ 0 0 92 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.606 126.5 25.6 -85.5 -16.9 -4.6 -17.0 -26.0 98 96 A N H << S+ 0 0 50 -4,-1.2 183,-0.4 -3,-0.5 -2,-0.2 0.632 79.9 113.4-126.8 -22.1 -4.5 -16.2 -22.3 99 97 A V S < S- 0 0 2 -4,-2.7 214,-0.2 -5,-0.2 2,-0.1 -0.383 76.0-105.4 -62.5 129.4 -4.9 -12.5 -21.6 100 98 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.346 35.5-104.2 -66.9 136.7 -8.3 -12.0 -19.8 101 99 A A - 0 0 13 102,-0.1 102,-0.3 1,-0.1 2,-0.2 -0.123 42.4 -95.2 -55.1 151.9 -11.3 -10.6 -21.7 102 100 A F - 0 0 8 100,-2.3 102,-0.4 -26,-0.1 -1,-0.1 -0.462 40.2-178.3 -67.3 136.7 -12.3 -7.0 -21.0 103 101 A E >> - 0 0 55 -2,-0.2 3,-3.0 1,-0.1 4,-2.6 -0.881 24.4-141.2-143.7 110.5 -15.1 -6.4 -18.5 104 102 A P T 34 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.726 103.0 39.1 -37.7 -46.0 -16.2 -2.8 -17.9 105 103 A H T 34 S+ 0 0 101 1,-0.1 21,-0.0 22,-0.1 0, 0.0 0.613 127.2 36.5 -83.6 -11.7 -16.7 -3.2 -14.2 106 104 A I T <4 S+ 0 0 3 -3,-3.0 280,-0.1 281,-0.1 -1,-0.1 0.860 86.6 92.6-105.0 -50.9 -13.6 -5.4 -13.8 107 105 A T < - 0 0 6 -4,-2.6 -5,-0.1 1,-0.1 2,-0.0 -0.293 66.1-136.4 -66.6 117.4 -10.8 -4.3 -16.1 108 106 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.369 17.6-120.4 -66.5 155.2 -8.3 -1.9 -14.5 109 107 A T - 0 0 17 4,-0.1 2,-0.4 -36,-0.1 -36,-0.2 -0.492 18.8-144.5 -89.2 159.5 -7.1 1.1 -16.5 110 108 A R S S+ 0 0 78 -38,-2.3 -36,-0.3 -2,-0.2 -38,-0.1 -0.993 75.6 0.2-129.8 126.0 -3.4 1.7 -17.2 111 109 A A S S+ 0 0 90 -2,-0.4 -1,-0.1 -38,-0.1 -38,-0.1 0.647 100.2 103.4 80.0 17.1 -1.8 5.1 -17.4 112 110 A X S S- 0 0 35 -40,-0.2 -74,-0.4 1,-0.1 4,-0.2 0.768 78.3-123.4 -99.4 -33.9 -5.0 6.9 -16.5 113 111 A G >> - 0 0 39 1,-0.1 4,-2.2 2,-0.1 3,-0.6 -0.147 25.4 -74.9 110.9 158.3 -4.3 7.8 -12.8 114 112 A K H 3> S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.865 125.2 61.8 -53.8 -39.9 -5.9 7.2 -9.4 115 113 A V H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.897 108.7 42.4 -58.5 -38.4 -8.5 9.8 -10.1 116 114 A V H <> S+ 0 0 3 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.912 112.1 52.8 -75.3 -40.9 -9.8 7.7 -13.0 117 115 A E H X S+ 0 0 49 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.881 114.3 44.3 -59.6 -35.2 -9.5 4.4 -11.1 118 116 A C H >X S+ 0 0 4 -4,-2.7 3,-0.9 -5,-0.2 4,-0.6 0.957 113.0 50.7 -74.4 -50.7 -11.6 6.0 -8.3 119 117 A F H >< S+ 0 0 0 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.887 103.8 56.7 -47.7 -50.5 -14.1 7.6 -10.7 120 118 A R H 3< S+ 0 0 23 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.752 105.8 51.6 -65.7 -19.6 -14.9 4.4 -12.7 121 119 A T H << S+ 0 0 31 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.527 83.4 111.2 -93.0 -9.7 -15.9 2.5 -9.5 122 120 A Y S X< S- 0 0 12 -3,-1.5 3,-1.3 -4,-0.6 2,-0.1 -0.348 78.6-103.5 -60.9 150.3 -18.4 5.1 -8.3 123 121 A P T 3 S+ 0 0 69 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.425 106.5 26.3 -74.7 153.3 -22.0 4.0 -8.5 124 122 A N T 3 S+ 0 0 119 1,-0.3 2,-0.5 -2,-0.1 15,-0.4 0.364 91.8 122.8 72.1 -4.4 -24.0 5.4 -11.3 125 123 A V < - 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