==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-NOV-03 1V47 . COMPND 2 MOLECULE: ATP SULFURYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.TAGUCHI,M.SUGISHIMA,K.FUKUYAMA,RIKEN STRUCTURAL . 689 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 42 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 2 3 0 1 2 3 3 2 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 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 PARALLEL BRIDGES PER LADDER . 4 2 4 4 1 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 4 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 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 4 A T 0 0 196 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.7 23.3 38.6 208.0 2 5 A L - 0 0 83 1,-0.1 2,-0.2 68,-0.0 68,-0.1 -0.240 360.0 -92.5 -68.5 156.0 22.3 41.2 205.3 3 6 A P - 0 0 57 0, 0.0 68,-2.8 0, 0.0 2,-0.3 -0.533 49.3-151.3 -68.7 133.4 21.0 44.7 206.3 4 7 A A E -a 71 0A 56 66,-0.2 2,-0.4 -2,-0.2 68,-0.2 -0.871 17.6-174.7-115.7 147.3 17.2 44.5 206.5 5 8 A L E -a 72 0A 32 66,-2.5 68,-2.5 -2,-0.3 2,-0.1 -0.990 24.5-126.8-139.0 126.0 14.4 47.1 205.9 6 9 A E E -a 73 0A 120 -2,-0.4 2,-0.3 66,-0.2 68,-0.2 -0.411 30.0-168.3 -68.8 146.5 10.7 46.7 206.4 7 10 A I - 0 0 12 66,-3.2 68,-0.2 -2,-0.1 51,-0.1 -0.996 13.6-124.4-139.5 146.1 8.5 47.6 203.4 8 11 A G > - 0 0 33 -2,-0.3 4,-2.0 66,-0.1 5,-0.1 -0.007 34.8 -94.4 -78.3-174.3 4.8 48.1 202.9 9 12 A E H > S+ 0 0 106 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.903 121.1 57.4 -69.7 -43.4 2.3 46.5 200.6 10 13 A D H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 110.9 46.8 -53.7 -39.6 2.5 49.2 197.8 11 14 A E H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.926 110.9 48.9 -70.8 -44.8 6.2 48.4 197.8 12 15 A R H X S+ 0 0 21 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.864 113.8 48.1 -65.0 -32.9 5.9 44.7 197.7 13 16 A L H X S+ 0 0 16 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.928 115.4 43.3 -71.3 -44.7 3.3 45.0 194.9 14 17 A D H X S+ 0 0 11 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.782 107.1 57.1 -76.0 -25.7 5.4 47.3 192.8 15 18 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.896 110.8 48.3 -70.2 -32.5 8.8 45.5 193.2 16 19 A E H X S+ 0 0 18 -4,-1.0 4,-1.7 -5,-0.3 6,-0.3 0.885 108.1 52.3 -71.4 -37.3 6.9 42.6 191.8 17 20 A N H <>S+ 0 0 16 -4,-1.7 5,-1.7 2,-0.2 6,-1.4 0.839 111.5 49.0 -65.6 -32.0 5.5 44.7 188.9 18 21 A L H ><5S+ 0 0 13 -4,-1.8 3,-1.6 4,-0.2 -2,-0.2 0.973 112.0 46.5 -69.3 -53.5 9.1 45.7 188.2 19 22 A A H 3<5S+ 0 0 58 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.721 113.1 50.7 -62.3 -22.3 10.4 42.2 188.3 20 23 A T T 3<5S- 0 0 55 -4,-1.7 121,-0.3 -5,-0.1 -1,-0.3 0.467 113.4-113.4 -95.1 -2.6 7.6 40.9 186.0 21 24 A G T X 5S+ 0 0 24 -3,-1.6 3,-0.9 -4,-0.4 -3,-0.2 0.585 79.6 127.3 82.7 9.4 8.0 43.6 183.4 22 25 A A T 3 S+ 0 0 0 -6,-1.4 3,-2.3 3,-0.2 -1,-0.2 0.306 98.5 179.4 -93.2 7.9 6.4 48.6 184.5 24 27 A F T < + 0 0 100 -3,-0.9 220,-0.1 1,-0.4 3,-0.1 -0.183 62.2 35.3 -47.6 143.2 8.8 48.0 181.6 25 28 A P T 3 S+ 0 0 23 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 -0.970 108.7 77.7 -77.9 4.9 10.9 49.9 180.5 26 29 A V < + 0 0 7 -3,-2.3 -3,-0.2 1,-0.1 -5,-0.1 -0.666 57.7 176.8 -75.8 129.3 11.4 50.9 184.1 27 30 A K + 0 0 104 -2,-0.4 98,-0.4 1,-0.2 2,-0.3 0.474 55.3 7.7-115.0 -4.0 13.4 48.0 185.6 28 31 A G S S- 0 0 8 96,-0.2 96,-0.2 -5,-0.1 -1,-0.2 -0.984 96.7 -59.1-166.7 164.7 14.1 49.1 189.2 29 32 A F B S-D 123 0B 3 94,-1.5 94,-2.5 -2,-0.3 26,-0.2 -0.321 74.7-102.7 -53.7 128.0 13.2 51.6 191.8 30 33 A M - 0 0 0 24,-2.2 26,-0.2 92,-0.2 -1,-0.1 -0.093 21.7-127.8 -62.6 150.5 14.3 54.9 190.3 31 34 A T > - 0 0 33 -3,-0.1 4,-3.0 91,-0.1 5,-0.2 -0.371 39.0 -98.9 -83.9 170.8 17.4 57.1 190.9 32 35 A R H > S+ 0 0 141 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 126.3 50.1 -59.1 -46.0 17.0 60.7 191.7 33 36 A E H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.937 112.1 47.5 -59.1 -46.9 17.7 61.6 188.1 34 37 A E H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 112.2 49.6 -58.3 -49.8 15.2 59.1 186.9 35 38 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.921 113.9 45.5 -56.0 -48.4 12.5 60.3 189.3 36 39 A L H X S+ 0 0 69 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.890 113.7 45.6 -66.3 -43.1 13.0 64.0 188.4 37 40 A S H X>S+ 0 0 15 -4,-2.5 4,-2.5 -5,-0.2 6,-1.3 0.871 114.2 50.2 -70.2 -34.3 13.1 63.7 184.6 38 41 A V H X5S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.964 114.8 44.1 -63.7 -50.9 10.0 61.4 184.7 39 42 A A H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.816 127.1 27.5 -63.8 -35.7 8.1 63.8 186.9 40 43 A H H <5S+ 0 0 109 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.762 135.6 23.3-101.9 -30.5 9.1 67.0 185.0 41 44 A E H <5S- 0 0 138 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.460 92.6-126.0-115.3 -3.9 9.7 65.9 181.4 42 45 A M S < - 0 0 11 4,-2.1 3,-2.7 -2,-0.3 -10,-0.1 -0.611 44.1-102.1 -90.4 160.8 13.4 58.5 181.5 45 48 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 0.896 124.7 58.9 -51.7 -36.0 16.9 59.8 181.2 46 49 A T T 3 S- 0 0 110 1,-0.1 -12,-0.0 2,-0.1 0, 0.0 0.466 123.6-102.3 -73.3 -1.1 17.4 57.4 178.3 47 50 A G S < S+ 0 0 46 -3,-2.7 2,-0.1 1,-0.3 -1,-0.1 0.261 74.4 132.4 104.5 -16.4 14.5 58.9 176.4 48 51 A E - 0 0 78 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.3 -0.447 62.4-103.9 -75.6 145.9 11.5 56.6 176.8 49 52 A V B +E 43 0C 22 -6,-0.2 -6,-0.3 -2,-0.1 2,-0.3 -0.435 55.0 147.2 -66.8 136.8 8.1 58.0 177.8 50 53 A W + 0 0 0 -8,-1.9 -9,-0.1 -12,-0.1 187,-0.0 -0.864 21.2 179.7-168.7 137.6 7.1 57.4 181.4 51 54 A T + 0 0 0 -2,-0.3 -9,-0.1 182,-0.2 -8,-0.1 0.574 59.5 70.7-123.4 -12.7 5.1 59.6 183.7 52 55 A I S S- 0 0 3 182,-0.1 2,-0.2 -10,-0.1 -1,-0.2 -0.931 73.6-130.6-118.0 116.8 4.8 58.0 187.1 53 56 A P - 0 0 17 0, 0.0 2,-0.8 0, 0.0 -18,-0.1 -0.428 13.1-151.0 -64.6 126.1 7.8 57.8 189.5 54 57 A I + 0 0 1 -2,-0.2 -24,-2.2 -26,-0.2 2,-0.3 -0.865 30.8 173.3-101.1 105.7 8.4 54.3 190.9 55 58 A L - 0 0 20 -2,-0.8 2,-0.7 -26,-0.2 67,-0.1 -0.850 39.5-149.6-124.2 152.8 10.0 54.8 194.3 56 59 A L E -F 121 0D 0 65,-0.6 65,-1.9 -2,-0.3 2,-0.2 -0.941 38.1-175.0-115.0 103.0 11.1 53.0 197.4 57 60 A Q E -F 120 0D 21 -2,-0.7 2,-0.3 63,-0.2 63,-0.2 -0.639 15.7-169.5-105.4 160.8 10.7 55.5 200.2 58 61 A F E -F 119 0D 25 61,-2.0 61,-2.1 -2,-0.2 58,-0.1 -0.991 26.3-139.9-145.5 149.2 11.5 55.7 203.9 59 62 A R S S+ 0 0 182 -2,-0.3 2,-0.4 58,-0.2 58,-0.1 0.759 96.8 39.4 -78.8 -27.5 10.7 58.0 206.8 60 63 A E S S- 0 0 154 59,-0.1 -1,-0.1 57,-0.1 0, 0.0 -0.980 102.2 -98.9-124.0 136.5 14.3 57.7 208.3 61 64 A K - 0 0 140 -2,-0.4 -2,-0.1 1,-0.1 28,-0.0 -0.336 47.0-119.3 -56.6 121.6 17.4 57.6 206.1 62 65 A P - 0 0 13 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.244 11.7-121.3 -63.4 149.9 18.4 53.9 205.8 63 66 A R S S+ 0 0 234 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.326 84.2 88.9 -87.3 51.7 21.8 52.7 207.1 64 67 A V - 0 0 19 -2,-1.2 3,-0.1 4,-0.1 6,-0.0 -0.954 50.1-179.2-144.3 162.3 22.7 51.5 203.6 65 68 A G > - 0 0 16 -2,-0.3 3,-2.1 1,-0.1 19,-0.1 -0.869 44.0 -33.3-150.7-176.5 24.4 52.8 200.5 66 69 A P T 3 S+ 0 0 94 0, 0.0 19,-0.2 0, 0.0 -1,-0.1 -0.069 121.8 18.8 -44.5 136.9 25.5 52.0 196.9 67 70 A G T 3 S+ 0 0 68 17,-2.4 18,-0.1 1,-0.3 17,-0.0 0.046 92.7 122.5 89.0 -28.4 26.6 48.4 196.4 68 71 A N < - 0 0 66 -3,-2.1 16,-0.9 15,-0.1 2,-0.5 -0.323 55.0-140.4 -68.5 152.8 24.9 47.0 199.5 69 72 A T E - B 0 83A 42 14,-0.2 2,-0.4 -3,-0.1 14,-0.2 -0.967 23.6-164.9-112.5 126.3 22.4 44.2 199.1 70 73 A V E - B 0 82A 0 12,-2.5 12,-2.9 -2,-0.5 2,-0.4 -0.912 18.6-129.3-119.4 143.6 19.4 44.6 201.5 71 74 A A E -aB 4 81A 11 -68,-2.8 -66,-2.5 -2,-0.4 2,-0.6 -0.720 22.2-143.8 -86.2 133.1 16.7 42.2 202.6 72 75 A L E -aB 5 80A 0 8,-2.5 7,-2.8 -2,-0.4 8,-1.2 -0.890 16.1-154.3-102.5 120.5 13.2 43.6 202.2 73 76 A L E +aB 6 78A 35 -68,-2.5 -66,-3.2 -2,-0.6 2,-0.3 -0.751 23.6 155.7-100.4 142.3 10.9 42.6 205.0 74 77 A H E > + B 0 77A 20 3,-2.3 3,-1.0 -2,-0.3 -66,-0.1 -0.934 69.4 9.3-160.2 135.2 7.1 42.3 204.8 75 78 A G T 3 S- 0 0 74 -2,-0.3 2,-0.1 1,-0.3 3,-0.1 0.800 127.2 -66.5 62.4 26.7 4.7 40.3 206.8 76 79 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 -0.033 118.1 91.3 86.5 -33.4 7.5 39.4 209.2 77 80 A E E < S-B 74 0A 90 -3,-1.0 -3,-2.3 -2,-0.1 2,-0.6 -0.571 87.6 -99.0 -97.4 160.5 9.4 37.3 206.6 78 81 A R E +B 73 0A 110 -5,-0.2 -5,-0.2 -2,-0.2 3,-0.1 -0.673 42.2 175.4 -77.2 118.0 12.1 38.4 204.1 79 82 A V E - 0 0 0 -7,-2.8 49,-2.2 -2,-0.6 50,-1.9 0.750 53.1 -9.3 -98.5 -29.4 10.3 38.9 200.8 80 83 A A E -BC 72 127A 0 -8,-1.2 -8,-2.5 47,-0.2 2,-0.4 -0.931 58.6-110.5-158.2-179.3 12.9 40.1 198.4 81 84 A L E -BC 71 126A 33 45,-2.5 45,-2.5 -2,-0.3 2,-0.4 -0.991 21.6-156.6-129.7 129.6 16.4 41.4 197.8 82 85 A L E -BC 70 125A 0 -12,-2.9 -12,-2.5 -2,-0.4 2,-0.8 -0.875 8.2-153.4-107.1 135.1 17.4 45.0 196.8 83 86 A H E -B 69 0A 72 41,-2.4 41,-0.5 -2,-0.4 -14,-0.2 -0.695 26.4-140.9-105.9 77.3 20.6 45.9 195.1 84 87 A V + 0 0 4 -16,-0.9 -17,-2.4 -2,-0.8 39,-0.2 -0.068 31.0 169.9 -42.0 122.7 21.0 49.5 196.2 85 88 A A + 0 0 62 37,-2.8 2,-0.3 1,-0.4 38,-0.2 0.477 67.3 1.6-112.7 -10.8 22.3 51.6 193.4 86 89 A E E -G 122 0D 50 36,-0.9 36,-2.1 -21,-0.1 2,-0.4 -0.938 52.7-150.0-174.5 150.0 21.8 55.0 195.2 87 90 A A E +G 121 0D 40 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.996 36.6 142.9-130.8 123.0 20.6 56.6 198.4 88 91 A Y E -G 120 0D 25 32,-2.5 32,-3.6 -2,-0.4 2,-0.4 -0.920 41.1-118.1-151.7 175.7 19.0 60.1 198.2 89 92 A E E -G 119 0D 117 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.923 24.9-148.4-121.9 146.9 16.4 62.4 199.6 90 93 A L - 0 0 13 28,-2.6 2,-1.2 -2,-0.4 3,-0.1 -0.844 20.8-128.6-117.7 154.0 13.5 64.0 197.7 91 94 A D >> - 0 0 102 -2,-0.3 4,-2.1 1,-0.2 3,-0.7 -0.806 31.0-171.7 -94.7 88.5 11.7 67.3 197.9 92 95 A L H 3> S+ 0 0 18 -2,-1.2 4,-3.3 1,-0.2 5,-0.2 0.835 77.9 58.2 -51.8 -39.7 8.2 65.6 197.9 93 96 A E H 3> S+ 0 0 109 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.880 109.6 42.9 -61.3 -40.2 6.3 68.8 197.6 94 97 A A H <> S+ 0 0 25 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.886 115.5 50.9 -71.6 -38.7 8.1 69.8 194.4 95 98 A L H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.911 107.8 51.9 -63.9 -45.3 7.7 66.2 193.2 96 99 A A H X>S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 6,-1.0 0.834 106.4 54.4 -61.8 -35.5 3.9 66.1 194.0 97 100 A R H X5S+ 0 0 120 -4,-1.3 4,-0.7 4,-0.2 -1,-0.2 0.882 112.4 43.4 -67.6 -37.7 3.3 69.4 192.0 98 101 A A H <5S+ 0 0 20 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.848 123.6 35.4 -75.7 -36.1 4.9 67.9 189.0 99 102 A V H <5S+ 0 0 9 -4,-2.2 134,-0.2 -5,-0.1 -2,-0.2 0.888 135.1 19.9 -85.9 -43.0 3.2 64.5 189.3 100 103 A F H <5S- 0 0 12 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.1 0.642 95.7-120.5-103.0 -18.6 -0.2 65.5 190.6 101 104 A G S < - 0 0 42 1,-0.1 3,-1.8 -8,-0.1 6,-0.2 -0.514 60.2-141.2 -70.7 130.3 -2.0 69.8 198.9 105 108 A E T 3 S+ 0 0 127 -2,-0.3 6,-0.2 1,-0.3 -1,-0.1 0.481 94.8 81.6 -70.9 -0.7 -2.2 66.8 201.2 106 109 A T T 3 S+ 0 0 125 4,-0.1 -1,-0.3 5,-0.1 3,-0.1 0.704 72.3 88.1 -76.2 -19.4 -5.9 66.8 200.5 107 110 A H S <> S- 0 0 10 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 -0.711 80.4-141.8 -78.9 122.3 -5.1 65.0 197.3 108 111 A P H > S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.888 100.2 49.2 -53.1 -45.6 -5.2 61.2 198.2 109 112 A G H > S+ 0 0 7 119,-0.2 4,-2.0 120,-0.2 5,-0.1 0.898 111.5 49.5 -61.8 -41.5 -2.2 60.4 195.9 110 113 A V H > S+ 0 0 0 -6,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 109.9 51.7 -63.5 -40.8 -0.2 63.3 197.4 111 114 A A H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.899 108.0 50.5 -65.8 -41.1 -1.0 62.2 200.9 112 115 A R H X S+ 0 0 118 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.928 110.9 50.2 -63.2 -43.5 0.2 58.6 200.3 113 116 A L H >< S+ 0 0 18 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.944 111.8 46.2 -59.5 -52.3 3.4 59.9 198.8 114 117 A Y H >< S+ 0 0 41 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.899 106.6 60.8 -58.9 -41.5 4.2 62.2 201.7 115 118 A G H 3< S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.735 96.2 60.7 -59.9 -23.7 3.4 59.5 204.2 116 119 A K T << S- 0 0 41 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.657 110.0-112.7 -80.3 -17.2 6.1 57.2 202.9 117 120 A G < - 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