==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-DEC-05 2F8H . COMPND 2 MOLECULE: AECTYLCITRULLINE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS; . AUTHOR D.SHI,X.YU,L.ROTH,N.M.ALLEWELL,M.TUCHMAN . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 15.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 26 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 2 0 1 0 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 1 0 2 2 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 . 1 2 1 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 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 0 A H 0 0 176 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.0 46.7 41.3 14.0 2 1 A M - 0 0 80 4,-0.0 2,-0.3 346,-0.0 3,-0.0 -0.990 360.0-179.2-137.4 143.7 46.0 43.7 11.1 3 2 A T > - 0 0 33 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.903 40.6-112.7-133.4 161.6 46.6 43.7 7.3 4 3 A D H > S+ 0 0 146 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.880 119.1 51.9 -63.2 -37.3 45.8 46.2 4.6 5 4 A L H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 112.4 44.9 -65.7 -40.7 43.2 43.9 3.2 6 5 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.891 111.1 53.4 -69.8 -40.5 41.5 43.5 6.6 7 6 A A H X S+ 0 0 34 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.900 111.0 46.5 -60.9 -41.4 41.7 47.2 7.2 8 7 A S H X S+ 0 0 44 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.879 110.2 53.5 -68.8 -38.0 40.0 47.9 3.9 9 8 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.922 109.2 49.1 -61.3 -44.0 37.4 45.3 4.7 10 9 A L H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.868 109.9 51.1 -64.7 -37.2 36.6 46.9 8.0 11 10 A E H X S+ 0 0 129 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.932 113.9 43.6 -66.6 -45.2 36.3 50.4 6.4 12 11 A H H X S+ 0 0 17 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.901 112.4 53.9 -65.5 -41.1 33.8 49.1 3.8 13 12 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.891 103.7 54.7 -61.7 -40.9 32.0 47.1 6.4 14 13 A E H X S+ 0 0 107 -4,-2.2 4,-1.3 2,-0.2 76,-0.3 0.919 112.7 44.6 -58.5 -42.5 31.5 50.2 8.6 15 14 A T H X S+ 0 0 43 -4,-1.5 4,-0.7 2,-0.2 3,-0.5 0.961 112.8 49.1 -66.2 -53.0 29.9 51.9 5.6 16 15 A L H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.885 110.7 51.4 -54.8 -41.4 27.7 48.9 4.6 17 16 A V H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 101.1 62.4 -66.4 -32.3 26.5 48.5 8.2 18 17 A S H 3< S+ 0 0 65 -4,-1.3 2,-0.5 -3,-0.5 -1,-0.2 0.681 86.4 88.6 -68.2 -17.8 25.5 52.2 8.3 19 18 A F S << S- 0 0 47 -3,-1.0 2,-0.7 -4,-0.7 -4,-0.0 -0.726 83.7-128.1 -84.1 125.6 23.0 51.6 5.5 20 19 A D + 0 0 79 -2,-0.5 14,-0.1 1,-0.1 -2,-0.1 -0.613 45.1 153.2 -75.2 111.6 19.6 50.6 6.8 21 20 A T + 0 0 3 -2,-0.7 55,-2.1 -4,-0.2 -1,-0.1 -0.033 15.9 156.8-128.6 30.5 18.6 47.5 4.9 22 21 A R B >> -a 76 0A 68 53,-0.2 4,-2.0 5,-0.1 5,-0.6 -0.308 37.6-130.8 -60.0 138.5 16.3 45.9 7.5 23 22 A N T 45S+ 0 0 8 53,-2.1 -1,-0.0 2,-0.2 -2,-0.0 -0.919 81.7 65.6-140.1 108.5 13.8 43.5 5.9 24 23 A P T 45S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.536 114.5 24.4 -62.1 162.0 11.0 44.0 6.9 25 24 A P T 45S- 0 0 103 0, 0.0 -2,-0.2 0, 0.0 3,-0.2 -0.989 85.9-161.6 -88.2 1.5 10.2 46.6 5.8 26 25 A R T <5 + 0 0 16 -4,-2.0 2,-2.0 1,-0.2 -3,-0.2 0.920 17.0 173.5 58.9 47.3 12.8 46.3 3.0 27 26 A A < + 0 0 85 -5,-0.6 2,-0.5 2,-0.0 -1,-0.2 -0.510 22.4 148.4 -84.1 68.9 12.8 50.0 2.2 28 27 A I - 0 0 15 -2,-2.0 27,-0.3 -3,-0.2 2,-0.3 -0.924 30.6-159.0-112.9 127.5 15.6 49.6 -0.3 29 28 A A - 0 0 54 -2,-0.5 6,-0.4 2,-0.1 28,-0.1 -0.718 22.8-138.1-105.9 154.7 16.0 51.8 -3.3 30 29 A A S S+ 0 0 17 -2,-0.3 2,-0.4 5,-0.1 -1,-0.1 0.786 93.5 58.6 -76.5 -28.8 17.8 51.2 -6.6 31 30 A E S S- 0 0 168 4,-0.1 -2,-0.1 5,-0.0 3,-0.1 -0.853 107.8 -3.8-106.6 138.5 19.1 54.8 -6.5 32 31 A G S >> S+ 0 0 25 -2,-0.4 4,-1.1 1,-0.2 3,-0.6 -0.228 99.0 58.2 77.9-173.3 21.1 56.3 -3.7 33 32 A G H 3> S- 0 0 47 1,-0.2 4,-1.6 2,-0.2 3,-0.4 -0.091 114.3 -11.4 56.3-145.8 22.0 54.4 -0.5 34 33 A I H 3> S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.836 133.9 53.4 -59.3 -39.5 24.0 51.2 -0.4 35 34 A F H <> S+ 0 0 1 -3,-0.6 4,-2.1 -6,-0.4 -1,-0.2 0.844 107.1 52.2 -68.5 -31.4 23.7 50.4 -4.2 36 35 A D H X S+ 0 0 80 -4,-1.1 4,-1.2 -3,-0.4 -1,-0.2 0.878 110.4 50.6 -68.7 -36.2 25.1 53.9 -5.0 37 36 A Y H X S+ 0 0 46 -4,-1.6 4,-0.7 2,-0.2 3,-0.4 0.946 110.7 46.7 -65.7 -49.1 28.0 53.1 -2.7 38 37 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.881 106.9 58.1 -61.7 -39.5 28.7 49.7 -4.2 39 38 A R H >< S+ 0 0 120 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.849 108.5 47.3 -58.5 -34.2 28.6 51.2 -7.8 40 39 A A H 3< S+ 0 0 75 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.580 109.2 54.8 -84.5 -9.8 31.4 53.6 -6.7 41 40 A Q T << S+ 0 0 52 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.129 86.8 82.2-110.9 21.1 33.5 50.8 -5.2 42 41 A L X - 0 0 8 -3,-0.6 3,-1.5 -4,-0.1 -1,-0.1 -0.595 61.9-169.2-126.6 72.3 33.8 48.4 -8.1 43 42 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.340 72.4 12.4 -64.1 135.0 36.6 49.5 -10.4 44 43 A G T 3 S+ 0 0 69 1,-0.3 20,-0.3 -2,-0.1 2,-0.3 0.405 98.6 124.8 82.1 -3.5 36.9 47.8 -13.8 45 44 A F < - 0 0 20 -3,-1.5 2,-0.7 18,-0.1 -1,-0.3 -0.678 63.4-131.9 -93.3 144.4 33.5 46.1 -13.4 46 45 A Q E -B 62 0B 159 16,-3.2 16,-2.3 -2,-0.3 2,-0.4 -0.849 39.9-159.4 -87.6 120.7 30.6 46.4 -15.9 47 46 A V E +B 61 0B 43 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.900 21.4 179.4-116.6 138.7 27.8 47.2 -13.4 48 47 A E E -B 60 0B 80 12,-2.0 12,-2.8 -2,-0.4 2,-0.5 -0.997 9.8-162.1-135.4 129.7 24.0 46.8 -13.7 49 48 A V E -B 59 0B 29 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.958 10.8-167.1-114.4 119.9 21.4 47.7 -11.0 50 49 A I E -B 58 0B 49 8,-2.7 8,-2.5 -2,-0.5 2,-0.8 -0.922 12.4-151.0-112.0 126.9 18.0 46.2 -11.5 51 50 A D E +B 57 0B 92 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.837 14.6 178.5 -95.4 108.1 15.0 47.3 -9.5 52 51 A H E - 0 0 41 4,-2.6 5,-0.2 -2,-0.8 -1,-0.2 0.548 52.4-106.1 -85.0 -7.3 12.7 44.3 -9.2 53 52 A G E > S+B 56 0B 20 3,-0.6 3,-2.0 -3,-0.1 -1,-0.2 0.020 89.7 45.5 99.9 153.3 10.3 46.4 -7.2 54 53 A D T 3 S- 0 0 121 1,-0.3 3,-0.1 -3,-0.1 -25,-0.1 0.782 133.2 -45.0 49.8 37.7 9.2 46.9 -3.6 55 54 A G T 3 S+ 0 0 7 -27,-0.3 2,-1.0 1,-0.2 -1,-0.3 0.441 105.9 123.5 91.5 -3.5 12.7 46.8 -2.1 56 55 A A E < +B 53 0B 0 -3,-2.0 -4,-2.6 74,-0.1 -3,-0.6 -0.834 36.8 160.6 -93.9 102.2 14.0 43.8 -4.2 57 56 A V E -B 51 0B 0 -2,-1.0 2,-0.3 -6,-0.2 72,-0.3 -0.967 21.8-162.6-128.0 142.1 17.0 45.2 -5.9 58 57 A S E -B 50 0B 5 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.5 -0.936 8.6-162.6-124.6 147.3 20.0 43.5 -7.5 59 58 A L E -BC 49 127B 0 68,-2.4 68,-2.8 -2,-0.3 2,-0.6 -0.976 11.0-169.5-128.1 113.5 23.5 44.7 -8.5 60 59 A Y E -BC 48 126B 26 -12,-2.8 -12,-2.0 -2,-0.5 2,-0.4 -0.930 8.7-179.2-107.7 117.1 25.2 42.5 -11.0 61 60 A A E -BC 47 125B 0 64,-2.8 64,-2.9 -2,-0.6 2,-0.4 -0.973 4.2-178.1-122.7 130.1 28.9 43.3 -11.5 62 61 A V E -BC 46 124B 22 -16,-2.3 -16,-3.2 -2,-0.4 2,-0.4 -0.990 7.5-176.7-131.7 132.7 31.3 41.6 -13.8 63 62 A R E - C 0 123B 17 60,-2.9 60,-2.1 -2,-0.4 -18,-0.1 -0.990 63.7 -30.6-127.6 120.8 35.0 42.2 -14.5 64 63 A G S S- 0 0 50 -2,-0.4 -18,-0.1 -20,-0.3 57,-0.1 -0.457 105.9 -45.8 74.8-145.2 36.8 40.1 -17.1 65 64 A T - 0 0 121 -2,-0.1 -1,-0.2 -3,-0.0 57,-0.1 -0.529 68.8-176.4-124.7 64.0 35.6 36.6 -17.8 66 65 A P - 0 0 22 0, 0.0 57,-0.1 0, 0.0 -2,-0.0 -0.244 22.1-156.3 -62.4 147.6 35.2 35.0 -14.3 67 66 A K S S+ 0 0 114 55,-0.1 83,-2.3 82,-0.1 84,-1.0 0.552 76.1 59.4 -99.2 -12.4 34.2 31.4 -14.0 68 67 A Y E -d 151 0B 41 81,-0.2 2,-0.4 82,-0.2 56,-0.4 -0.903 67.8-148.3-121.1 149.3 32.7 31.8 -10.5 69 68 A L E -d 152 0B 0 82,-2.1 84,-3.1 -2,-0.3 2,-0.6 -0.955 4.8-155.2-117.8 130.4 29.9 34.0 -9.2 70 69 A F E -de 153 125B 7 54,-2.6 56,-2.7 -2,-0.4 2,-0.4 -0.928 12.1-168.9-104.8 120.8 29.8 35.4 -5.7 71 70 A N E +de 154 126B 2 82,-2.5 84,-2.6 -2,-0.6 2,-0.4 -0.928 9.5 172.5-110.1 131.5 26.2 36.1 -4.4 72 71 A V E - e 0 127B 1 54,-2.0 56,-1.8 -2,-0.4 2,-0.4 -0.990 25.4-137.5-139.5 127.5 25.8 38.2 -1.2 73 72 A H E - e 0 128B 3 82,-0.4 56,-0.2 -2,-0.4 36,-0.2 -0.700 9.3-162.9 -85.9 137.7 22.4 39.4 0.1 74 73 A L + 0 0 0 54,-3.7 55,-0.2 -2,-0.4 -1,-0.1 0.565 59.0 95.4 -96.6 -12.2 22.6 43.0 1.4 75 74 A D - 0 0 0 53,-0.3 2,-0.3 30,-0.0 -53,-0.2 -0.444 57.5-159.0 -77.4 155.6 19.4 43.0 3.5 76 75 A T B -a 22 0A 1 -55,-2.1 -53,-2.1 53,-0.1 -50,-0.1 -0.801 24.2-100.7-125.7 168.2 19.5 42.3 7.2 77 76 A V - 0 0 21 27,-0.3 -56,-0.1 -2,-0.3 -1,-0.1 -0.362 58.0 -77.7 -80.7 170.8 16.8 41.1 9.6 78 77 A P - 0 0 63 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.264 54.3-108.5 -66.2 163.7 15.2 43.7 11.8 79 78 A D - 0 0 46 -3,-0.1 259,-0.1 21,-0.1 3,-0.1 -0.244 51.8 -17.0 -85.9 176.6 17.2 45.0 14.9 80 79 A S + 0 0 55 257,-0.1 2,-0.1 1,-0.1 4,-0.0 0.251 9.5 177.0 45.3-176.2 16.7 44.4 18.6 81 80 A P S S+ 0 0 100 0, 0.0 257,-0.2 0, 0.0 -1,-0.1 0.573 107.2 9.6 -76.3 161.2 15.3 43.6 21.1 82 81 A H S S+ 0 0 167 1,-0.3 2,-0.1 -2,-0.1 255,-0.0 0.505 76.2 157.1 86.4 8.5 18.2 44.1 23.5 83 82 A W - 0 0 29 1,-0.1 -1,-0.3 255,-0.1 255,-0.1 -0.461 35.3-148.2 -65.0 136.9 20.8 45.9 21.3 84 83 A S S S+ 0 0 83 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.504 74.7 6.4 -85.4 -4.7 23.2 47.8 23.6 85 84 A A S S- 0 0 38 6,-0.0 254,-0.2 0, 0.0 6,-0.0 -0.965 108.2 -45.8-163.5 172.9 23.9 50.5 21.1 86 85 A D > - 0 0 89 -2,-0.3 3,-1.8 1,-0.2 14,-0.1 -0.279 46.4-149.6 -51.5 115.3 22.9 51.8 17.7 87 86 A P T 3 S+ 0 0 14 0, 0.0 13,-2.8 0, 0.0 -1,-0.2 0.731 95.1 56.0 -61.2 -22.7 22.7 48.7 15.4 88 87 A H T 3 S+ 0 0 29 11,-0.2 2,-0.7 1,-0.1 -2,-0.1 0.361 91.0 78.2 -93.8 5.1 23.7 50.8 12.4 89 88 A V S < S- 0 0 79 -3,-1.8 -1,-0.1 -71,-0.0 9,-0.1 -0.904 82.9-136.6-115.0 99.4 26.9 52.2 14.0 90 89 A M - 0 0 23 -2,-0.7 2,-0.3 -76,-0.3 9,-0.2 -0.337 21.1-161.1 -59.2 129.7 29.6 49.4 13.7 91 90 A R E -I 98 0C 63 7,-2.6 7,-2.6 -4,-0.1 2,-0.4 -0.770 0.7-151.7-109.7 157.6 31.5 49.1 17.0 92 91 A R E +I 97 0C 138 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.994 13.3 179.5-137.3 140.1 34.9 47.5 17.4 93 92 A T - 0 0 56 3,-3.0 3,-0.1 -2,-0.4 5,-0.0 -0.510 54.8 -77.5-117.3-171.1 36.7 45.8 20.2 94 93 A E S S+ 0 0 188 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 0.893 126.9 16.0 -60.1 -41.2 40.1 44.2 20.3 95 94 A D S S+ 0 0 93 1,-0.1 249,-1.9 249,-0.1 250,-0.5 0.312 124.4 25.0-119.8 11.2 39.1 41.1 18.4 96 95 A R E - J 0 343C 70 247,-0.3 -3,-3.0 248,-0.1 2,-0.3 -0.991 58.1-124.1-164.4 170.3 35.7 41.8 16.8 97 96 A V E -IJ 92 342C 0 245,-2.2 245,-1.7 -2,-0.3 2,-0.4 -0.914 19.4-151.5-122.4 150.8 33.2 44.1 15.3 98 97 A I E +IJ 91 341C 17 -7,-2.6 -7,-2.6 -2,-0.3 2,-0.3 -0.985 36.8 109.9-128.2 129.1 29.5 44.6 16.3 99 98 A G S > S- 0 0 0 241,-1.9 3,-1.7 -2,-0.4 2,-0.4 -0.911 70.2 -71.0 175.9 158.7 26.7 45.7 14.1 100 99 A L T 3 S+ 0 0 3 -13,-2.8 -10,-0.1 -2,-0.3 -21,-0.1 -0.509 120.3 6.8 -67.0 117.5 23.5 44.7 12.3 101 100 A G T 3 >S+ 0 0 0 -2,-0.4 5,-2.2 4,-0.1 6,-0.8 0.420 87.5 120.9 92.5 -1.7 24.6 42.5 9.5 102 101 A V T < 5S+ 0 0 0 -3,-1.7 5,-0.3 4,-0.2 3,-0.2 0.854 92.3 26.5 -63.9 -30.1 28.3 42.2 10.3 103 102 A C T 5S+ 0 0 0 -4,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.832 117.3 62.3 -97.1 -42.4 27.9 38.5 10.5 104 103 A D T 5S- 0 0 6 230,-0.1 -27,-0.3 1,-0.1 -1,-0.2 -0.821 127.8 -60.5-128.7 92.8 24.9 37.9 8.2 105 104 A I T >>5S+ 0 0 0 -2,-0.4 4,-1.1 -3,-0.2 3,-1.0 -0.841 111.4 91.4-147.9 31.7 26.1 38.8 5.8 106 105 A K H 3> S+ 0 0 0 -6,-0.8 4,-2.0 -5,-0.3 -1,-0.3 0.899 99.2 47.6 -59.1 -39.5 31.0 41.2 6.3 108 107 A A H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.887 110.2 51.6 -68.2 -40.6 31.3 39.0 3.2 109 108 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.916 109.6 50.5 -62.3 -41.9 30.2 41.9 1.0 110 109 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.911 110.9 48.6 -62.4 -43.5 32.8 44.2 2.6 111 110 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.903 110.3 50.6 -64.7 -42.3 35.5 41.6 2.0 112 111 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.881 111.0 48.9 -64.3 -38.0 34.6 41.1 -1.6 113 112 A V H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.918 109.8 52.1 -67.7 -40.9 34.6 44.8 -2.3 114 113 A A H < S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.931 110.9 47.6 -59.6 -45.3 38.0 45.1 -0.6 115 114 A A H >X S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.5 0.886 106.7 57.4 -63.3 -38.1 39.3 42.3 -2.8 116 115 A A H 3< S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.804 111.4 43.4 -62.5 -28.5 37.8 44.0 -5.9 117 116 A N T 3< S+ 0 0 72 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.382 105.3 63.4 -97.6 2.3 39.9 47.1 -5.0 118 117 A A T <4 S- 0 0 60 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.417 117.0 -4.3-105.2 -1.5 43.1 45.2 -4.2 119 118 A G < - 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