==== 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 11-AUG-08 3E4F . COMPND 2 MOLECULE: AMINOGLYCOSIDE N3-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR M.M.KLIMECKA,M.CHRUSZCZ,T.SKARINA,O.ONOPRYIENKO,M.CYMBOROWSK . 523 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 12.2 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 . 2 0.4 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 . 31 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 25.6 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 1 2 2 2 4 1 1 2 2 1 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 0 2 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 3 A D > 0 0 152 0, 0.0 4,-1.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 -68.2 -13.3 57.9 -16.1 2 4 A I T 4 + 0 0 67 2,-0.2 39,-0.7 1,-0.1 4,-0.1 0.808 360.0 48.8 -66.7 -32.8 -10.5 59.9 -14.7 3 5 A V T >4 S+ 0 0 26 1,-0.2 3,-1.6 2,-0.2 38,-0.1 0.946 107.6 51.3 -65.4 -49.3 -10.8 61.0 -18.2 4 6 A A T 34 S+ 0 0 84 1,-0.3 -1,-0.2 36,-0.0 -2,-0.2 0.803 108.6 50.8 -62.6 -30.3 -14.6 61.5 -18.1 5 7 A S T 3< S+ 0 0 75 -4,-1.1 2,-0.4 2,-0.0 -1,-0.3 0.337 98.1 82.7 -99.4 6.8 -14.5 63.6 -15.0 6 8 A T < - 0 0 12 -3,-1.6 34,-0.1 -4,-0.1 33,-0.0 -0.954 57.1-164.8-116.4 129.9 -11.8 65.9 -16.4 7 9 A Q S S- 0 0 178 -2,-0.4 -1,-0.1 1,-0.3 33,-0.0 0.958 77.8 -4.4 -74.2 -62.6 -12.7 68.9 -18.7 8 10 A L S S- 0 0 81 33,-0.1 -1,-0.3 341,-0.0 33,-0.1 -0.944 94.9 -80.1-129.0 158.6 -9.2 69.7 -20.1 9 11 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.251 33.4-128.5 -65.4 144.5 -5.9 68.1 -19.2 10 12 A N B -a 42 0A 13 31,-2.7 33,-3.1 4,-0.1 2,-0.3 -0.683 36.9-178.4 -77.6 135.5 -3.9 69.1 -16.1 11 13 A T > - 0 0 2 -2,-0.3 4,-3.2 31,-0.2 5,-0.3 -0.852 46.4 -95.5-129.0 173.7 -0.3 69.9 -17.0 12 14 A I H > S+ 0 0 39 344,-0.4 4,-2.6 31,-0.3 5,-0.2 0.951 127.7 49.8 -52.1 -45.3 2.9 70.9 -15.3 13 15 A K H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 112.4 43.0 -61.0 -49.3 1.9 74.4 -16.2 14 16 A T H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 115.2 50.0 -69.7 -37.9 -1.6 74.2 -14.9 15 17 A I H X S+ 0 0 3 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.918 109.2 52.3 -63.9 -45.1 -0.5 72.4 -11.7 16 18 A T H X S+ 0 0 8 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.903 110.5 48.4 -55.9 -41.9 2.2 75.0 -11.1 17 19 A N H X S+ 0 0 81 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.920 111.2 49.5 -68.3 -41.8 -0.4 77.7 -11.4 18 20 A D H X S+ 0 0 40 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.843 110.9 50.8 -64.3 -38.8 -2.8 76.0 -9.0 19 21 A L H X>S+ 0 0 1 -4,-2.5 5,-2.3 2,-0.2 4,-1.3 0.916 110.3 47.9 -63.9 -45.7 -0.0 75.5 -6.5 20 22 A R H <5S+ 0 0 116 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.919 109.1 54.8 -64.0 -41.8 1.0 79.2 -6.7 21 23 A K H <5S+ 0 0 180 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.900 105.5 52.7 -56.0 -43.0 -2.7 80.2 -6.3 22 24 A L H <5S- 0 0 9 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.786 128.3 -98.1 -66.2 -31.3 -2.9 78.1 -3.1 23 25 A G T <5S+ 0 0 34 -4,-1.3 -3,-0.2 -3,-0.4 2,-0.2 0.469 71.7 144.7 125.2 6.3 0.1 79.9 -1.8 24 26 A L < + 0 0 4 -5,-2.3 2,-0.3 4,-0.0 -1,-0.3 -0.505 28.3 173.7 -68.9 144.9 3.1 77.6 -2.4 25 27 A K > - 0 0 134 -2,-0.2 3,-1.9 33,-0.0 31,-0.1 -0.969 35.5 -65.7-154.9 166.6 6.2 79.7 -3.2 26 28 A K T 3 S+ 0 0 143 -2,-0.3 31,-0.2 1,-0.2 32,-0.2 -0.252 114.5 12.2 -56.3 125.1 9.9 79.7 -3.9 27 29 A G T 3 S+ 0 0 33 30,-2.6 -1,-0.2 1,-0.3 30,-0.1 0.344 89.2 139.8 96.2 -3.6 12.0 78.7 -0.9 28 30 A X < - 0 0 14 -3,-1.9 34,-2.2 33,-0.1 2,-0.6 -0.353 52.3-129.8 -68.8 150.4 9.2 77.3 1.2 29 31 A T E +b 62 0B 13 32,-0.2 137,-2.9 134,-0.2 2,-0.4 -0.939 39.6 173.3-100.4 119.1 9.7 74.2 3.2 30 32 A V E -bc 63 166B 0 32,-2.6 34,-2.6 -2,-0.6 2,-0.5 -0.988 30.6-155.7-140.1 130.1 6.8 71.8 2.5 31 33 A I E -bc 64 167B 0 135,-2.5 137,-2.8 -2,-0.4 2,-0.4 -0.869 27.4-153.8 -97.1 128.5 5.7 68.3 3.3 32 34 A V E - c 0 168B 0 32,-2.8 2,-0.4 -2,-0.5 137,-0.2 -0.906 18.6-175.8-117.4 133.1 3.4 66.9 0.7 33 35 A H E + c 0 169B 9 135,-2.6 137,-3.0 -2,-0.4 2,-0.3 -0.989 22.5 176.3-126.6 133.5 0.7 64.3 0.8 34 36 A S E - c 0 170B 12 74,-0.4 2,-0.5 -2,-0.4 137,-0.2 -0.974 38.7-155.0-147.2 146.3 -1.2 63.3 -2.3 35 37 A S > - 0 0 33 135,-1.8 4,-0.6 -2,-0.3 3,-0.3 -0.996 20.3-158.5-110.8 114.7 -3.7 61.2 -4.1 36 38 A L T >4 S+ 0 0 37 -2,-0.5 3,-1.4 1,-0.2 4,-0.5 0.950 89.4 51.8 -58.2 -48.4 -2.7 61.2 -7.8 37 39 A S G >4 S+ 0 0 71 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.797 94.9 70.4 -63.3 -28.1 -6.2 60.3 -9.1 38 40 A S G 34 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.787 91.8 60.4 -64.1 -25.4 -8.0 63.1 -7.1 39 41 A I G << S- 0 0 0 -3,-1.4 201,-3.1 -4,-0.6 -1,-0.3 0.799 104.4-130.4 -70.7 -29.4 -6.5 65.7 -9.4 40 42 A G < - 0 0 6 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.3 -0.653 58.5 -7.7 100.9-165.7 -8.1 64.3 -12.6 41 43 A W - 0 0 43 -39,-0.7 -31,-2.7 -2,-0.2 2,-0.5 -0.464 67.2-169.7 -71.8 126.3 -6.3 63.5 -15.9 42 44 A I B > -a 10 0A 12 -2,-0.3 3,-1.5 -33,-0.2 2,-1.0 -0.967 25.2-130.9-121.8 126.5 -2.7 64.7 -15.9 43 45 A S T 3 S+ 0 0 1 -33,-3.1 -31,-0.3 -2,-0.5 291,-0.1 -0.632 105.4 13.5 -75.8 106.7 -0.5 64.9 -19.0 44 46 A G T > S- 0 0 16 -2,-1.0 3,-1.5 289,-0.2 4,-0.5 0.276 97.4-146.6 106.5 -4.9 2.6 63.2 -17.5 45 47 A G T <> S+ 0 0 19 -3,-1.5 4,-1.5 1,-0.3 3,-0.5 -0.159 74.0 2.9 48.1-126.9 0.9 61.8 -14.4 46 48 A A H 3> S+ 0 0 11 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.831 130.7 59.5 -62.7 -33.3 3.1 61.6 -11.3 47 49 A V H <> S+ 0 0 10 -3,-1.5 4,-3.0 1,-0.2 -1,-0.3 0.899 102.0 52.9 -62.1 -42.6 6.0 63.2 -13.1 48 50 A A H > S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.5 -1,-0.2 0.876 108.8 49.8 -59.2 -44.1 4.0 66.3 -13.9 49 51 A V H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.938 113.5 45.5 -61.7 -47.3 3.1 66.7 -10.2 50 52 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.954 114.1 48.3 -61.3 -48.4 6.7 66.3 -9.1 51 53 A E H X S+ 0 0 58 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.874 111.0 51.0 -60.7 -41.6 8.0 68.7 -11.7 52 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.917 109.9 49.4 -61.6 -44.6 5.4 71.3 -10.8 53 55 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.939 113.3 46.7 -62.1 -45.7 6.2 71.1 -7.2 54 56 A X H X S+ 0 0 20 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.854 108.4 56.3 -65.8 -31.9 9.9 71.5 -7.9 55 57 A E H < S+ 0 0 112 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.909 115.5 37.2 -69.5 -37.6 9.2 74.4 -10.3 56 58 A V H < S+ 0 0 2 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.940 126.3 33.7 -78.3 -49.8 7.4 76.3 -7.6 57 59 A I H < S- 0 0 0 -4,-2.8 -30,-2.6 -5,-0.2 3,-0.2 0.929 93.3-170.4 -75.5 -44.1 9.5 75.5 -4.5 58 60 A T >< - 0 0 30 -4,-1.6 3,-1.8 -5,-0.4 78,-0.3 0.174 44.8 -67.3 68.2 173.5 12.9 75.2 -6.3 59 61 A E T 3 S+ 0 0 107 1,-0.3 77,-0.8 76,-0.1 -1,-0.2 0.606 131.4 65.9 -66.8 -17.1 16.2 74.0 -5.0 60 62 A E T 3 S+ 0 0 109 -3,-0.2 -1,-0.3 75,-0.2 2,-0.2 0.605 106.3 48.1 -81.7 -13.8 16.2 77.0 -2.7 61 63 A G S < S- 0 0 1 -3,-1.8 75,-2.2 -4,-0.2 2,-0.4 -0.452 87.1-120.6-105.3-172.0 13.2 75.5 -0.9 62 64 A T E -bD 29 135B 0 -34,-2.2 -32,-2.6 73,-0.3 2,-0.4 -0.995 13.1-162.1-138.4 132.4 12.6 71.9 0.3 63 65 A I E -bD 30 134B 1 71,-2.7 71,-2.7 -2,-0.4 2,-0.4 -0.939 14.5-174.7-110.2 130.6 10.0 69.3 -0.6 64 66 A I E +bD 31 133B 0 -34,-2.6 -32,-2.8 -2,-0.4 69,-0.2 -0.971 5.7 179.1-121.4 143.4 9.5 66.4 1.8 65 67 A X E - D 0 132B 0 67,-2.9 67,-3.4 -2,-0.4 2,-0.2 -0.997 32.8-111.4-138.8 143.0 7.3 63.4 1.4 66 68 A P E - D 0 131B 5 0, 0.0 65,-0.3 0, 0.0 64,-0.1 -0.513 24.6-170.3 -68.5 143.7 6.7 60.4 3.7 67 69 A T + 0 0 0 63,-2.5 63,-0.4 -2,-0.2 64,-0.2 -0.361 16.8 176.9-132.3 51.1 8.1 57.1 2.3 68 70 A Q - 0 0 46 61,-0.2 38,-2.2 1,-0.1 61,-0.2 -0.214 18.6-171.9 -66.2 142.8 6.7 54.6 4.8 69 71 A S > + 0 0 1 59,-1.9 3,-2.1 36,-0.2 60,-0.1 -0.524 15.9 163.7-137.2 63.9 7.3 50.9 4.2 70 72 A S G > + 0 0 56 1,-0.3 3,-1.9 36,-0.3 -1,-0.1 0.614 62.6 82.3 -65.0 -12.4 5.2 49.3 6.8 71 73 A D G 3 S+ 0 0 73 1,-0.3 -1,-0.3 57,-0.1 235,-0.1 0.626 81.8 64.2 -70.0 -11.5 5.5 46.0 5.0 72 74 A L G < S+ 0 0 12 -3,-2.1 -1,-0.3 55,-0.2 -2,-0.2 0.372 84.8 112.8 -90.8 2.6 8.8 45.5 6.8 73 75 A S S < S- 0 0 23 -3,-1.9 124,-0.2 1,-0.1 5,-0.1 -0.187 82.7 -81.1 -82.2 167.9 7.1 45.4 10.2 74 76 A D > - 0 0 21 122,-0.6 3,-2.3 1,-0.2 4,-0.3 -0.553 34.1-142.3 -72.8 118.3 6.7 42.6 12.7 75 77 A P G > S+ 0 0 1 0, 0.0 3,-0.9 0, 0.0 8,-0.4 0.613 92.8 82.1 -66.4 -4.3 3.8 40.5 11.4 76 78 A K G 3 S+ 0 0 43 1,-0.3 -2,-0.0 12,-0.1 119,-0.0 0.856 95.0 43.3 -64.9 -34.3 2.9 40.0 15.1 77 79 A H G < S+ 0 0 93 -3,-2.3 -1,-0.3 5,-0.0 2,-0.2 0.472 90.7 121.6 -88.5 -3.1 1.2 43.4 14.9 78 80 A W < + 0 0 45 -3,-0.9 5,-0.2 -4,-0.3 -4,-0.0 -0.413 19.0 151.3 -73.8 132.5 -0.4 42.7 11.6 79 81 A S + 0 0 99 -2,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.347 47.0 92.0-136.4 -0.9 -4.2 42.8 11.3 80 82 A R S S- 0 0 99 1,-1.0 -1,-0.1 3,-0.0 3,-0.0 -0.538 130.2 -22.8-131.6 65.5 -4.9 43.8 7.7 81 83 A P S S- 0 0 75 0, 0.0 -1,-1.0 0, 0.0 -2,-0.2 0.709 88.7-135.2 -96.8-178.9 -5.0 41.0 7.4 82 84 A P - 0 0 82 0, 0.0 -3,-0.1 0, 0.0 -6,-0.1 -0.413 20.3-140.0 -78.0 167.2 -3.2 38.9 9.9 83 85 A V - 0 0 11 -8,-0.4 5,-0.1 -5,-0.2 -5,-0.1 -0.896 34.6 -77.1-122.7 153.6 -1.1 36.0 8.8 84 86 A P >> - 0 0 66 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.199 40.8-123.6 -53.0 139.7 -0.7 32.6 10.4 85 87 A E H >> S+ 0 0 145 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.823 109.9 64.1 -54.5 -33.6 1.5 32.6 13.4 86 88 A E H 3> S+ 0 0 148 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.825 99.2 56.5 -61.4 -28.8 3.8 30.0 11.9 87 89 A W H <> S+ 0 0 5 -3,-1.9 4,-2.9 1,-0.2 3,-0.5 0.791 87.4 79.0 -68.6 -30.7 4.6 32.6 9.2 88 90 A W H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 3,-0.7 0.955 110.8 49.9 -62.9 -51.3 9.0 36.6 7.9 92 94 A R H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 116.0 45.2 -58.9 -30.6 11.4 37.9 10.5 93 95 A D H 3< S+ 0 0 97 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.696 127.2 24.7 -87.0 -20.7 14.0 35.5 9.2 94 96 A N H << S+ 0 0 38 -4,-1.2 180,-0.3 -3,-0.7 -2,-0.2 0.651 79.5 112.3-124.5 -22.5 13.4 36.3 5.5 95 97 A V S < S- 0 0 2 -4,-3.2 211,-0.2 -5,-0.2 178,-0.0 -0.390 74.6-107.7 -61.3 131.3 11.9 39.7 4.7 96 98 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.331 35.8-101.0 -70.8 147.1 14.6 41.8 3.0 97 99 A A - 0 0 8 1,-0.1 102,-0.3 102,-0.1 2,-0.2 -0.180 40.3 -95.0 -60.7 146.3 16.3 44.6 4.8 98 100 A F B +h 199 0C 11 100,-2.5 102,-0.6 -26,-0.1 -1,-0.1 -0.447 42.2 178.4 -61.0 131.8 15.4 48.2 4.3 99 101 A E >> - 0 0 76 -2,-0.2 4,-2.8 -3,-0.1 3,-0.9 -0.970 26.5-140.7-136.5 122.4 17.6 49.9 1.7 100 102 A P T 34 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.820 99.9 46.9 -63.5 -26.7 16.7 53.5 1.0 101 103 A H T 34 S+ 0 0 146 1,-0.1 -3,-0.0 22,-0.1 21,-0.0 0.797 125.2 27.9 -78.6 -26.5 17.3 53.3 -2.7 102 104 A I T <4 S+ 0 0 8 -3,-0.9 -1,-0.1 2,-0.1 277,-0.1 0.825 86.4 99.7-106.5 -43.4 15.4 50.1 -3.2 103 105 A T < - 0 0 6 -4,-2.8 -5,-0.0 1,-0.1 -6,-0.0 -0.306 65.0-134.9 -66.4 118.5 12.6 49.6 -0.7 104 106 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.276 15.8-118.9 -71.8 160.9 9.2 50.5 -2.1 105 107 A T - 0 0 22 4,-0.1 2,-0.4 -36,-0.1 -36,-0.2 -0.465 19.7-145.6 -84.8 160.3 6.7 52.5 -0.2 106 108 A R S S- 0 0 139 -38,-2.2 -36,-0.3 -2,-0.1 -38,-0.1 -0.995 75.0 -2.0-131.6 135.6 3.3 51.3 0.8 107 109 A A S S+ 0 0 92 -2,-0.4 -38,-0.1 -38,-0.1 -1,-0.1 0.600 102.1 102.4 69.6 13.9 0.1 53.4 1.0 108 110 A X S S- 0 0 36 -40,-0.2 -74,-0.4 1,-0.1 4,-0.3 0.755 77.9-128.6 -91.3 -31.3 2.1 56.5 0.0 109 111 A G > - 0 0 37 1,-0.1 4,-2.2 2,-0.1 3,-0.2 -0.131 25.1 -68.4 100.0 170.0 1.0 56.8 -3.6 110 112 A K H > S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.768 124.5 58.8 -67.6 -29.6 2.4 57.2 -7.1 111 113 A V H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.945 109.7 45.1 -68.6 -41.3 3.6 60.8 -6.6 112 114 A V H > S+ 0 0 2 -4,-0.3 4,-2.6 -3,-0.2 -2,-0.2 0.917 110.0 53.7 -64.2 -45.9 5.8 59.5 -3.7 113 115 A E H < S+ 0 0 50 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.895 114.7 42.8 -59.6 -36.2 7.0 56.5 -5.7 114 116 A C H >< S+ 0 0 5 -4,-2.1 3,-1.4 -5,-0.2 4,-0.4 0.962 113.6 50.7 -71.1 -52.0 8.1 58.9 -8.5 115 117 A F H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.878 103.2 58.4 -54.5 -42.4 9.6 61.5 -6.1 116 118 A R T 3< S+ 0 0 23 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.683 106.2 48.8 -73.4 -14.0 11.8 59.1 -4.2 117 119 A T T < S+ 0 0 30 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.392 84.7 113.7-105.2 1.5 13.6 58.0 -7.2 118 120 A Y S X S- 0 0 14 -3,-1.7 3,-1.6 -4,-0.4 246,-0.1 -0.430 78.8 -94.4 -67.6 148.1 14.4 61.4 -8.6 119 121 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.308 110.7 21.3 -57.6 142.0 18.0 62.5 -8.7 120 122 A N T 3 S+ 0 0 120 1,-0.3 2,-0.5 -3,-0.1 15,-0.4 0.507 91.0 129.6 76.4 1.9 19.1 64.5 -5.8 121 123 A V < - 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0 0 19 -5,-0.2 2,-0.3 13,-0.1 13,-0.2 -0.956 64.1-144.5-115.4 125.8 8.7 25.6 -23.7 496 236 B T E -P 507 0E 74 11,-3.0 11,-2.9 -2,-0.5 2,-0.3 -0.712 19.1-161.0 -93.4 144.8 9.5 24.6 -20.2 497 237 B X E +P 506 0E 83 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.920 23.1 122.7-137.9 148.2 6.9 25.0 -17.4 498 238 B G E -P 505 0E 28 7,-1.3 7,-3.5 -2,-0.3 2,-0.4 -0.963 46.4 -78.7-178.7-175.1 6.6 25.2 -13.7 499 239 B K E -P 504 0E 116 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.854 12.6-167.9-116.1 138.6 5.4 27.2 -10.8 500 240 B I E > S-P 503 0E 0 3,-2.0 3,-2.9 -2,-0.4 2,-0.2 -0.978 82.2 -52.5-116.7 108.5 6.8 30.1 -8.9 501 241 B G T 3 S- 0 0 19 -2,-0.5 -199,-0.2 1,-0.3 -200,-0.1 -0.451 124.5 -21.0 53.5-121.6 4.5 30.1 -5.9 502 242 B N T 3 S+ 0 0 66 -201,-2.9 2,-0.4 -2,-0.2 -1,-0.3 0.495 114.3 115.2 -89.2 -7.8 1.1 30.1 -7.5 503 243 B A E < - P 0 500E 1 -3,-2.9 -3,-2.0 -202,-0.2 2,-0.6 -0.522 63.9-137.2 -79.3 124.3 2.4 31.5 -10.8 504 244 B K E - P 0 499E 123 -2,-0.4 -71,-2.0 -5,-0.2 2,-0.3 -0.690 34.2-164.0 -72.7 118.3 2.3 29.4 -13.9 505 245 B C E -OP 432 498E 0 -7,-3.5 -7,-1.3 -2,-0.6 2,-0.4 -0.794 18.2-163.4-114.5 151.1 5.6 30.0 -15.6 506 246 B R E -OP 431 497E 42 -75,-2.1 -75,-2.8 -2,-0.3 2,-0.4 -0.998 2.3-171.9-130.8 132.7 7.2 29.5 -19.0 507 247 B L E +OP 430 496E 10 -11,-2.9 -11,-3.0 -2,-0.4 2,-0.3 -0.975 22.0 148.8-119.8 135.5 10.8 29.4 -20.0 508 248 B X E -O 429 0E 4 -79,-1.8 -79,-3.2 -2,-0.4 2,-0.4 -0.984 49.3 -88.3-158.7 160.2 11.9 29.4 -23.6 509 249 B K E > -O 428 0E 47 -15,-0.4 4,-1.5 -2,-0.3 -81,-0.3 -0.631 29.4-143.2 -73.8 128.8 14.6 30.4 -26.1 510 250 B Q H > S+ 0 0 0 -83,-2.6 4,-2.3 -2,-0.4 5,-0.2 0.866 99.2 54.7 -59.5 -37.9 14.0 33.9 -27.5 511 251 B R H > S+ 0 0 82 -84,-0.6 4,-2.6 1,-0.2 5,-0.3 0.878 104.4 55.1 -67.6 -36.9 15.3 32.9 -31.0 512 252 B D H > S+ 0 0 65 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.889 113.8 38.3 -60.1 -47.9 12.9 30.0 -31.2 513 253 B I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.878 116.3 51.4 -77.9 -35.3 9.8 32.0 -30.6 514 254 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.917 112.4 46.0 -69.2 -42.8 10.9 35.0 -32.6 515 255 B D H X S+ 0 0 73 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.943 114.0 48.9 -62.0 -47.6 11.8 32.9 -35.6 516 256 B F H X S+ 0 0 56 -4,-1.7 4,-2.9 -5,-0.3 -2,-0.2 0.897 111.3 50.6 -58.9 -40.0 8.5 31.1 -35.3 517 257 B G H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.900 108.1 50.9 -67.7 -42.4 6.6 34.3 -35.0 518 258 B T H X S+ 0 0 17 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.919 114.4 44.1 -63.5 -46.1 8.2 35.8 -38.1 519 259 B E H X S+ 0 0 45 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.926 111.2 54.7 -61.0 -48.4 7.3 32.8 -40.1 520 260 B W H >< S+ 0 0 34 -4,-2.9 3,-0.6 1,-0.2 4,-0.3 0.939 109.3 47.8 -52.4 -49.0 3.9 32.7 -38.6 521 261 B F H >< S+ 0 0 33 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.860 105.3 57.6 -65.8 -35.3 3.2 36.3 -39.7 522 262 B R H 3< S+ 0 0 162 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.850 107.1 49.3 -64.0 -33.1 4.5 35.8 -43.2 523 263 B K T << 0 0 169 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.431 360.0 360.0 -82.2 -3.3 1.9 33.0 -43.7 524 264 B K < 0 0 103 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.1 -0.485 360.0 360.0 53.4 360.0 -0.8 35.2 -42.4