==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-12 4I19 . COMPND 2 MOLECULE: EPOXIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CARZINOSTATICUS SUBSP. . AUTHOR K.TAN,L.BIGELOW,S.CLANCY,G.BABNIGG,C.A.BINGMAN,R.YENNAMALLI, . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 0.5 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 . 25 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 1 2 2 2 1 0 2 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 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 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 123 0, 0.0 2,-0.5 0, 0.0 71,-0.3 0.000 360.0 360.0 360.0 136.9 23.9 5.0 71.9 2 1 A X - 0 0 56 69,-0.1 69,-0.2 67,-0.1 67,-0.0 -0.720 360.0-153.9 -91.8 123.5 25.5 5.2 68.5 3 2 A R E -A 70 0A 181 67,-2.7 67,-1.9 -2,-0.5 -1,-0.0 -0.851 22.9-117.1-102.5 119.5 27.1 2.1 67.2 4 3 A P E -A 69 0A 99 0, 0.0 2,-0.3 0, 0.0 65,-0.3 -0.225 39.0-168.6 -53.6 140.6 29.9 2.5 64.6 5 4 A F E -A 68 0A 59 63,-2.5 63,-0.6 75,-0.1 2,-0.3 -0.984 17.0-177.0-135.2 142.4 28.9 0.9 61.3 6 5 A Q - 0 0 129 -2,-0.3 2,-0.5 61,-0.1 58,-0.0 -0.995 34.2-113.2-132.9 145.8 30.7 0.1 58.0 7 6 A V + 0 0 4 -2,-0.3 2,-0.2 53,-0.2 57,-0.1 -0.648 42.8 164.9 -72.1 122.7 29.2 -1.4 54.9 8 7 A Q - 0 0 157 -2,-0.5 -2,-0.0 2,-0.0 -1,-0.0 -0.691 18.8-162.7-142.1 88.9 30.7 -4.9 54.4 9 8 A I - 0 0 16 -2,-0.2 5,-0.1 1,-0.1 285,-0.0 -0.571 29.5-114.8 -71.5 123.3 28.8 -7.1 51.9 10 9 A P >> - 0 0 67 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.309 19.7-124.6 -57.1 143.3 29.8 -10.8 52.4 11 10 A Q H 3> S+ 0 0 98 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.871 109.7 60.9 -61.2 -38.0 31.6 -12.2 49.4 12 11 A A H 3> S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.843 101.4 53.5 -57.0 -35.2 29.1 -15.0 49.0 13 12 A D H <> S+ 0 0 67 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.863 109.3 48.0 -69.2 -37.7 26.3 -12.4 48.5 14 13 A I H X S+ 0 0 12 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.920 112.3 48.9 -65.9 -45.9 28.3 -10.7 45.7 15 14 A D H X S+ 0 0 85 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.908 110.2 52.6 -59.3 -41.6 28.9 -14.2 44.1 16 15 A D H X S+ 0 0 51 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.898 107.4 51.1 -62.6 -40.3 25.2 -14.9 44.4 17 16 A L H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.911 111.0 48.4 -62.9 -41.5 24.3 -11.7 42.6 18 17 A K H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.898 111.4 50.1 -66.1 -41.7 26.6 -12.5 39.7 19 18 A R H X S+ 0 0 103 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.964 112.5 46.6 -58.9 -52.3 25.3 -16.0 39.5 20 19 A R H < S+ 0 0 61 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.886 110.5 53.9 -60.4 -40.3 21.7 -14.7 39.4 21 20 A L H >< S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.937 109.7 45.5 -59.6 -48.5 22.6 -12.1 36.8 22 21 A S H 3< S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.798 114.7 50.5 -68.0 -22.5 24.1 -14.6 34.4 23 22 A E T 3< S+ 0 0 119 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.381 78.4 139.7 -96.7 4.5 21.1 -16.9 34.9 24 23 A T < - 0 0 25 -3,-1.2 2,-1.0 -4,-0.4 -3,-0.1 -0.186 51.0-138.5 -46.9 130.0 18.5 -14.3 34.2 25 24 A R - 0 0 238 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.850 24.3-147.3 -93.9 101.4 15.5 -15.6 32.2 26 25 A W - 0 0 80 -2,-1.0 2,-0.1 1,-0.1 14,-0.0 -0.541 11.7-124.8 -75.3 128.3 15.0 -12.6 29.9 27 26 A P - 0 0 67 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.375 16.6-117.9 -72.6 147.9 11.4 -12.0 28.8 28 27 A E + 0 0 200 -2,-0.1 2,-0.3 12,-0.0 0, 0.0 -0.818 50.0 161.9 -81.3 114.9 10.3 -11.9 25.2 29 28 A L - 0 0 109 -2,-0.7 2,-0.1 0, 0.0 11,-0.1 -0.960 40.4-106.0-134.7 151.2 8.9 -8.3 24.8 30 29 A V - 0 0 111 -2,-0.3 2,-0.9 1,-0.1 10,-0.1 -0.446 38.4-109.3 -75.4 152.0 8.2 -6.1 21.7 31 30 A D + 0 0 136 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.732 57.1 143.7 -88.0 104.6 10.6 -3.2 21.1 32 31 A V > - 0 0 58 -2,-0.9 3,-1.8 1,-0.5 4,-0.1 -0.183 58.7-120.1-127.9 37.9 8.7 0.1 21.8 33 32 A G T 3 S- 0 0 34 1,-0.3 -1,-0.5 2,-0.1 3,-0.3 -0.355 73.5 -30.7 59.8-133.4 11.7 2.0 23.3 34 33 A W T > S+ 0 0 45 1,-0.2 3,-1.2 4,-0.1 -1,-0.3 0.369 109.5 108.5 -92.4 2.1 11.1 3.1 26.9 35 34 A S T < S+ 0 0 95 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.789 91.4 21.2 -56.6 -34.7 7.4 3.4 26.3 36 35 A R T 3 S- 0 0 206 1,-0.5 -1,-0.3 -3,-0.3 2,-0.2 0.245 133.7 -54.9-118.9 13.2 6.3 0.3 28.4 37 36 A G S < S- 0 0 20 -3,-1.2 -1,-0.5 -5,-0.1 -5,-0.1 -0.761 93.4 -21.4 132.2 175.6 9.4 -0.1 30.6 38 37 A A S S- 0 0 19 221,-0.3 2,-0.1 -2,-0.2 -4,-0.1 -0.289 70.3-118.1 -53.1 129.4 13.2 -0.5 30.0 39 38 A P > - 0 0 14 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.480 19.2-121.5 -69.5 146.5 14.0 -1.8 26.5 40 39 A L H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.872 109.8 58.2 -54.8 -44.9 15.8 -5.1 26.4 41 40 A S H > S+ 0 0 95 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.904 112.7 39.7 -54.5 -44.8 18.8 -3.7 24.6 42 41 A Y H > S+ 0 0 25 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.967 117.9 44.6 -71.0 -52.6 19.4 -1.2 27.3 43 42 A I H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.880 112.0 52.6 -66.8 -35.0 18.7 -3.3 30.4 44 43 A K H X S+ 0 0 89 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.934 111.7 45.3 -62.2 -47.9 20.6 -6.4 29.1 45 44 A E H X S+ 0 0 98 -4,-1.3 4,-2.3 -5,-0.4 -2,-0.2 0.923 115.3 47.9 -63.6 -42.2 23.8 -4.4 28.4 46 45 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.907 110.9 51.1 -63.5 -41.5 23.5 -2.6 31.8 47 46 A A H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.853 110.1 49.8 -65.8 -35.3 22.9 -6.0 33.6 48 47 A E H X S+ 0 0 108 -4,-2.1 4,-3.4 2,-0.2 5,-0.4 0.900 111.8 47.4 -68.6 -41.6 26.0 -7.4 31.9 49 48 A Y H X>S+ 0 0 65 -4,-2.3 5,-2.6 2,-0.2 4,-2.5 0.916 108.3 56.6 -64.5 -41.0 28.0 -4.4 33.0 50 49 A W H <5S+ 0 0 7 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.916 116.1 36.7 -54.9 -45.5 26.6 -4.8 36.5 51 50 A R H <5S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.938 131.4 24.4 -71.1 -49.4 27.9 -8.3 36.5 52 51 A D H <5S+ 0 0 100 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.759 131.1 23.8 -97.8 -26.4 31.2 -7.9 34.7 53 52 A G T <5S+ 0 0 39 -4,-2.5 -3,-0.2 -5,-0.4 2,-0.2 0.712 88.8 98.6-115.0 -28.2 32.4 -4.3 35.0 54 53 A F < - 0 0 15 -5,-2.6 2,-0.9 1,-0.1 228,-0.0 -0.454 60.6-146.2 -69.4 135.1 30.9 -2.7 38.0 55 54 A D > + 0 0 87 -2,-0.2 4,-1.8 1,-0.2 3,-0.3 -0.795 20.3 176.2-105.8 90.3 33.2 -2.7 41.1 56 55 A W H > S+ 0 0 14 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.940 79.1 57.8 -60.6 -45.3 31.1 -3.1 44.2 57 56 A R H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 107.2 49.0 -54.6 -37.8 34.1 -3.2 46.5 58 57 A A H > S+ 0 0 33 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.890 111.0 48.7 -67.9 -42.0 35.2 0.2 45.3 59 58 A A H X S+ 0 0 14 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.916 109.9 53.7 -62.5 -41.0 31.7 1.7 45.7 60 59 A E H X S+ 0 0 15 -4,-3.0 4,-2.1 1,-0.2 -53,-0.2 0.911 108.2 49.7 -60.5 -42.0 31.8 0.2 49.2 61 60 A R H X S+ 0 0 159 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.914 107.3 53.9 -63.9 -42.6 35.1 1.9 49.9 62 61 A R H >< S+ 0 0 88 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.898 111.9 44.8 -61.2 -40.5 33.7 5.3 48.7 63 62 A I H >< S+ 0 0 5 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.878 108.2 58.5 -67.4 -37.4 30.7 5.0 51.1 64 63 A N H 3< S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.485 83.6 78.4 -78.8 -1.5 32.9 3.9 54.0 65 64 A Q T << S+ 0 0 117 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.1 0.679 86.4 76.1 -73.8 -16.2 35.1 7.0 54.0 66 65 A Y S < S- 0 0 33 -3,-1.5 17,-0.1 -4,-0.2 2,-0.1 -0.818 95.6-112.5 -98.4 129.7 32.1 8.6 55.8 67 66 A P - 0 0 69 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.369 43.0-175.2 -56.6 130.6 31.6 7.8 59.4 68 67 A Q E -AB 5 81A 6 -63,-0.6 -63,-2.5 13,-0.2 2,-0.3 -0.931 9.9-179.1-130.8 156.1 28.4 5.8 59.8 69 68 A F E -AB 4 80A 50 11,-2.2 11,-2.6 -2,-0.3 2,-0.4 -0.942 16.1-146.0-144.9 161.5 26.4 4.5 62.8 70 69 A T E +AB 3 79A 25 -67,-1.9 -67,-2.7 -2,-0.3 2,-0.3 -0.970 21.3 171.2-124.8 149.5 23.3 2.5 63.6 71 70 A T E - B 0 78A 17 7,-1.9 7,-3.4 -2,-0.4 2,-0.5 -0.963 31.8-115.5-147.7 162.9 21.0 3.1 66.5 72 71 A E E + B 0 77A 146 -2,-0.3 2,-0.4 -71,-0.3 5,-0.2 -0.908 32.4 175.6-105.9 126.6 17.7 1.8 67.7 73 72 A I E > - B 0 76A 10 3,-2.8 3,-1.5 -2,-0.5 83,-0.1 -0.979 68.1 -18.7-133.8 120.4 14.8 4.2 67.9 74 73 A D T 3 S- 0 0 92 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.850 130.0 -46.9 54.8 38.2 11.2 3.3 68.7 75 74 A G T 3 S+ 0 0 42 1,-0.2 2,-0.4 69,-0.0 -1,-0.3 0.503 118.4 100.6 88.0 5.3 11.9 -0.3 67.9 76 75 A A E < S-B 73 0A 8 -3,-1.5 -3,-2.8 67,-0.1 2,-0.4 -0.960 70.2-121.0-126.5 145.5 13.6 0.2 64.6 77 76 A T E -B 72 0A 71 -2,-0.4 2,-0.5 -5,-0.2 59,-0.4 -0.655 28.4-164.5 -77.5 128.9 17.2 0.2 63.5 78 77 A I E -B 71 0A 0 -7,-3.4 -7,-1.9 -2,-0.4 2,-0.4 -0.973 3.6-161.5-119.1 120.9 18.3 3.4 61.9 79 78 A H E +B 70 0A 0 -2,-0.5 54,-3.5 54,-0.4 2,-0.3 -0.786 19.7 170.5 -92.8 142.2 21.5 3.7 59.9 80 79 A F E -BC 69 132A 0 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.3 -0.987 34.6-129.6-152.2 145.1 23.0 7.2 59.3 81 80 A L E -BC 68 131A 0 50,-2.3 50,-2.8 -2,-0.3 2,-0.4 -0.715 23.2-166.9 -80.4 142.1 26.1 9.0 58.0 82 81 A H E + C 0 130A 27 -15,-2.5 2,-0.7 -2,-0.3 48,-0.2 -0.896 8.1 179.4-132.1 103.9 27.4 11.6 60.4 83 82 A V E - C 0 129A 15 46,-2.9 46,-2.8 -2,-0.4 2,-0.3 -0.881 12.1-156.5-117.0 103.6 29.9 13.9 58.8 84 83 A R - 0 0 130 -2,-0.7 44,-0.1 44,-0.2 30,-0.1 -0.559 15.2-128.2 -76.2 134.3 31.3 16.6 61.0 85 84 A S - 0 0 10 -2,-0.3 30,-0.2 2,-0.3 5,-0.1 -0.427 16.0-125.2 -70.6 152.3 32.7 19.8 59.5 86 85 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.567 99.6 83.9 -73.0 -6.5 36.2 21.0 60.4 87 86 A E S > S- 0 0 31 27,-0.5 3,-1.8 1,-0.1 -2,-0.3 -0.879 72.9-157.8 -92.2 112.9 34.3 24.2 61.3 88 87 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.793 91.6 54.0 -63.5 -26.0 33.0 23.6 64.9 89 88 A D T 3 S+ 0 0 132 -3,-0.1 39,-0.1 2,-0.1 -2,-0.0 0.218 79.6 136.6 -94.1 13.4 30.4 26.3 64.4 90 89 A A < - 0 0 10 -3,-1.8 37,-0.3 37,-0.1 35,-0.1 -0.172 64.2-102.6 -53.4 155.9 29.0 24.7 61.2 91 90 A T E -d 127 0A 13 35,-2.4 37,-1.5 1,-0.0 2,-0.1 -0.744 33.8-125.4 -87.2 120.9 25.2 24.6 60.9 92 91 A P E -d 128 0A 20 0, 0.0 78,-2.4 0, 0.0 2,-0.4 -0.433 33.5-179.8 -66.2 136.6 23.8 21.1 61.7 93 92 A X E -de 129 170A 0 35,-2.5 37,-2.6 76,-0.2 2,-0.6 -0.978 21.6-154.0-142.0 129.4 21.6 19.7 58.9 94 93 A V E -de 130 171A 1 76,-3.0 78,-3.1 -2,-0.4 2,-0.6 -0.905 13.6-162.9-100.2 123.8 19.6 16.5 58.6 95 94 A I E - e 0 172A 0 35,-2.3 2,-0.6 -2,-0.6 78,-0.2 -0.936 6.7-164.7-108.9 118.1 19.1 15.5 54.9 96 95 A T E - e 0 173A 1 76,-2.7 78,-0.9 -2,-0.6 81,-0.2 -0.896 5.7-149.2-113.2 119.0 16.4 12.9 54.5 97 96 A H - 0 0 3 35,-0.6 2,-0.1 -2,-0.6 -1,-0.0 -0.121 11.8-150.4 -69.0 175.2 15.9 10.8 51.3 98 97 A G > - 0 0 7 78,-0.2 3,-2.8 4,-0.1 36,-0.1 -0.287 44.5 -16.5-121.6-149.3 12.5 9.6 50.0 99 98 A W T 3 S+ 0 0 7 1,-0.4 77,-0.1 -2,-0.1 3,-0.1 -0.918 132.8 11.3-103.0 133.2 11.4 6.6 48.0 100 99 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.152 107.1 135.5 -98.4 84.4 13.3 5.0 46.4 101 100 A G < + 0 0 2 -3,-2.8 33,-0.1 3,-0.0 -4,-0.0 -0.408 27.3 176.3-100.3 166.8 16.2 6.8 48.1 102 101 A T > - 0 0 2 -2,-0.1 3,-1.6 36,-0.1 4,-0.2 -0.951 46.9-105.4-153.2 159.3 19.5 6.1 49.7 103 102 A P G > S+ 0 0 7 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.653 109.3 81.8 -61.4 -14.1 22.3 8.2 51.2 104 103 A V G > S+ 0 0 3 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.724 75.0 72.4 -67.9 -20.8 24.3 7.5 48.0 105 104 A E G < S+ 0 0 17 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.726 100.0 47.9 -56.5 -24.3 22.3 10.3 46.3 106 105 A F G X> S+ 0 0 11 -3,-1.9 3,-1.5 1,-0.2 4,-1.3 0.367 72.7 104.5-108.9 5.0 24.3 12.7 48.4 107 106 A L H <> S+ 0 0 7 -3,-1.1 4,-0.6 1,-0.3 3,-0.2 0.864 82.8 53.1 -56.1 -36.4 27.9 11.6 48.0 108 107 A D H 34 S+ 0 0 69 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.628 111.7 43.9 -77.8 -12.6 28.7 14.4 45.6 109 108 A I H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.1 5,-0.2 0.644 92.7 80.7-102.6 -15.2 27.4 17.2 48.0 110 109 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.2 5,-0.3 0.916 92.4 46.8 -61.4 -50.7 28.9 16.0 51.3 111 110 A G H X S+ 0 0 17 -4,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.951 115.3 44.2 -55.7 -58.0 32.4 17.4 50.8 112 111 A P H 4 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.879 116.8 47.1 -57.7 -41.4 31.4 20.8 49.6 113 112 A L H < S+ 0 0 0 -4,-2.5 14,-2.1 1,-0.2 -2,-0.2 0.912 121.0 34.2 -67.2 -45.4 28.7 21.2 52.3 114 113 A T H < S+ 0 0 9 -4,-2.7 -27,-0.5 -5,-0.2 -3,-0.2 0.825 131.8 26.7 -83.1 -30.9 30.9 20.0 55.3 115 114 A D >X + 0 0 47 -4,-2.8 3,-0.8 -5,-0.3 4,-0.7 -0.531 62.5 159.5-132.2 66.7 34.2 21.4 54.2 116 115 A P G >4>S+ 0 0 0 0, 0.0 5,-3.5 0, 0.0 3,-1.1 0.842 72.9 64.8 -60.2 -32.8 33.7 24.5 52.0 117 116 A R G >45S+ 0 0 162 1,-0.3 3,-0.9 3,-0.2 -2,-0.1 0.863 103.0 47.3 -55.7 -40.6 37.2 25.8 52.6 118 117 A A G <45S+ 0 0 67 -3,-0.8 -1,-0.3 1,-0.2 -7,-0.0 0.628 111.7 52.6 -77.2 -12.5 38.7 22.7 50.9 119 118 A H G <<5S- 0 0 100 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 -0.002 124.2 -96.3-112.9 28.1 36.3 23.2 48.0 120 119 A G T < 5S+ 0 0 79 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.602 88.7 122.0 69.2 13.0 37.1 26.8 47.3 121 120 A G S - 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