==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-06 2DE2 . COMPND 2 MOLECULE: DIBENZOTHIOPHENE DESULFURIZATION ENZYME B; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR W.C.LEE,T.OHSHIRO,T.MATSUBARA,Y.IZUMI,M.TANOKURA . 347 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 7.2 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 . 2 0.6 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 . 19 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 0 1 0 5 2 0 0 2 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 19 A R 0 0 167 0, 0.0 2,-0.5 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 132.4 11.5 -0.7 14.3 2 20 A D E -a 29 0A 35 26,-2.9 28,-2.4 248,-0.0 2,-0.5 -0.736 360.0-146.2 -82.4 129.4 11.5 2.3 12.0 3 21 A T E -a 30 0A 67 -2,-0.5 2,-0.4 26,-0.2 28,-0.2 -0.873 17.0-173.8-107.1 130.6 12.9 5.2 13.9 4 22 A L E -a 31 0A 2 26,-2.2 28,-3.3 -2,-0.5 46,-0.2 -0.951 26.7-121.8-119.6 138.7 11.9 8.8 13.5 5 23 A T E -ab 32 50A 27 44,-2.3 46,-2.1 -2,-0.4 2,-0.3 -0.492 43.2-174.1 -74.1 153.5 13.4 11.8 15.2 6 24 A Y E -ab 33 51A 5 26,-2.2 28,-3.3 44,-0.2 2,-0.4 -0.988 32.1-146.0-154.7 156.0 10.8 13.7 17.2 7 25 A S E - b 0 52A 18 44,-1.0 2,-0.9 -2,-0.3 46,-0.7 -0.995 21.9-140.7-125.4 124.6 9.9 16.8 19.3 8 26 A N - 0 0 14 -2,-0.4 167,-0.2 167,-0.4 46,-0.1 -0.767 26.2-166.1 -87.5 105.6 7.4 16.4 22.1 9 27 A C - 0 0 5 -2,-0.9 2,-1.8 44,-0.4 7,-0.1 -0.685 28.3-118.0 -96.8 148.2 5.2 19.5 22.0 10 28 A P S S+ 0 0 22 0, 0.0 44,-0.1 0, 0.0 -1,-0.1 -0.263 80.0 100.6 -79.8 52.9 2.8 20.7 24.8 11 29 A V S S- 0 0 9 -2,-1.8 2,-0.3 42,-0.3 -2,-0.1 -0.941 83.5 -97.4-131.5 153.2 -0.3 20.5 22.7 12 30 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 223,-0.1 -0.576 60.7 154.2 -72.6 130.4 -3.0 17.8 22.6 13 31 A N > - 0 0 0 -2,-0.3 4,-1.5 1,-0.1 286,-0.1 -0.997 54.2-125.7-159.7 155.2 -2.3 15.4 19.7 14 32 A A H > S+ 0 0 0 285,-0.5 4,-2.6 -2,-0.3 5,-0.2 0.677 103.2 63.8 -74.0 -20.9 -2.7 11.9 18.3 15 33 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 107.2 41.6 -69.8 -47.7 1.0 11.3 17.7 16 34 A L H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.928 116.0 52.0 -62.2 -44.0 1.9 11.5 21.4 17 35 A T H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 6,-0.3 0.920 110.2 47.6 -58.4 -45.7 -1.2 9.5 22.2 18 36 A A H X>S+ 0 0 0 -4,-2.6 6,-1.8 2,-0.2 4,-1.0 0.909 114.4 46.8 -62.8 -42.8 -0.2 6.8 19.7 19 37 A S H <5S+ 0 0 32 -4,-2.4 3,-0.3 1,-0.2 6,-0.2 0.941 116.6 42.8 -64.0 -48.5 3.3 6.6 21.1 20 38 A E H <5S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.741 116.5 46.3 -71.8 -26.5 2.3 6.5 24.7 21 39 A S H <5S- 0 0 43 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.560 115.4-102.8 -96.3 -10.5 -0.6 4.0 24.3 22 40 A G T X5S+ 0 0 32 -4,-1.0 4,-1.9 -3,-0.3 5,-0.2 0.298 89.0 112.8 109.4 -10.4 1.1 1.4 22.1 23 41 A F H >4>S+ 0 0 1 -6,-1.8 5,-2.3 2,-0.2 3,-0.7 0.935 110.3 48.2 -64.9 -47.0 3.0 3.4 17.2 25 43 A D H >45S+ 0 0 71 -7,-0.4 3,-1.8 1,-0.3 -1,-0.2 0.880 107.9 55.4 -60.8 -38.3 4.9 0.3 18.4 26 44 A A H 3<5S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.769 106.1 53.1 -65.4 -24.3 2.2 -1.9 16.9 27 45 A A T <<5S- 0 0 22 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.335 122.8-108.8 -91.6 5.7 2.8 -0.1 13.6 28 46 A G T < 5S+ 0 0 20 -3,-1.8 -26,-2.9 1,-0.2 2,-0.4 0.786 79.4 122.8 72.7 30.0 6.5 -0.9 13.9 29 47 A I E < -a 2 0A 0 -5,-2.3 2,-0.3 -28,-0.2 -1,-0.2 -0.943 36.8-176.1-127.3 145.3 7.5 2.7 14.6 30 48 A E E -a 3 0A 83 -28,-2.4 -26,-2.2 -2,-0.4 2,-0.4 -0.986 20.8-128.9-137.8 148.4 9.4 4.4 17.5 31 49 A L E -a 4 0A 30 -2,-0.3 2,-0.7 -28,-0.2 -26,-0.2 -0.830 8.0-157.7-103.3 134.8 10.2 8.0 18.2 32 50 A D E -a 5 0A 84 -28,-3.3 -26,-2.2 -2,-0.4 2,-0.1 -0.905 23.5-135.5-109.7 101.2 13.7 9.3 19.0 33 51 A V E -a 6 0A 23 -2,-0.7 -26,-0.2 -28,-0.2 2,-0.1 -0.339 21.3-124.6 -60.0 130.9 13.3 12.6 20.9 34 52 A L - 0 0 39 -28,-3.3 2,-0.6 142,-0.1 -26,-0.2 -0.460 9.2-149.9 -79.7 148.7 15.6 15.3 19.7 35 53 A S + 0 0 49 141,-0.2 141,-0.1 -2,-0.1 136,-0.1 -0.894 32.1 156.8-116.7 93.3 18.0 17.1 21.9 36 54 A G + 0 0 22 -2,-0.6 135,-0.2 135,-0.2 3,-0.2 -0.135 13.1 148.3-114.7 39.7 18.3 20.5 20.2 37 55 A Q > - 0 0 69 1,-0.2 3,-1.8 134,-0.1 4,-0.2 -0.141 66.9 -58.5 -65.1 167.5 19.4 22.9 23.0 38 56 A Q T 3 S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.238 128.4 46.1 -50.5 126.6 21.7 25.8 22.2 39 57 A G T 3 S+ 0 0 69 -3,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.145 82.1 97.1 121.2 -15.1 24.8 24.5 20.6 40 58 A T < - 0 0 64 -3,-1.8 -2,-0.1 -4,-0.1 -3,-0.1 0.901 61.5-169.9 -68.6 -41.2 23.0 22.2 18.2 41 59 A V + 0 0 134 -4,-0.2 2,-0.3 1,-0.1 -3,-0.1 0.944 44.4 104.9 45.2 65.0 23.3 24.7 15.4 42 60 A H S S- 0 0 108 -6,-0.1 2,-0.6 5,-0.0 -1,-0.1 -0.874 74.4-114.4-168.8 134.0 21.0 22.9 13.0 43 61 A F > - 0 0 39 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.655 22.3-145.5 -79.1 118.3 17.4 23.5 11.9 44 62 A T G > S+ 0 0 25 -2,-0.6 3,-2.1 1,-0.3 -1,-0.1 0.841 94.6 61.3 -49.6 -44.6 15.2 20.6 13.2 45 63 A Y G 3 S+ 0 0 9 1,-0.3 -1,-0.3 -3,-0.0 5,-0.2 0.655 93.8 67.2 -61.5 -15.2 12.9 20.6 10.1 46 64 A D G < S+ 0 0 50 -3,-2.0 -1,-0.3 194,-0.1 -2,-0.2 0.489 73.4 112.5 -85.5 -2.6 15.9 19.8 7.9 47 65 A Q S X S- 0 0 42 -3,-2.1 3,-0.6 -4,-0.2 -3,-0.0 -0.383 73.5-126.2 -67.1 150.5 16.4 16.4 9.4 48 66 A P T 3 S+ 0 0 107 0, 0.0 195,-0.3 0, 0.0 -1,-0.1 0.696 101.2 22.8 -72.0 -23.5 15.7 13.5 6.9 49 67 A A T 3 S+ 0 0 25 193,-0.1 -44,-2.3 194,-0.1 2,-0.4 -0.321 88.1 138.7-142.6 56.1 13.2 11.6 9.1 50 68 A Y E < -b 5 0A 3 -3,-0.6 190,-1.5 -46,-0.2 2,-0.4 -0.827 25.0-176.7-107.3 138.8 11.8 14.1 11.6 51 69 A T E +bC 6 239A 0 -46,-2.1 -44,-1.0 -2,-0.4 2,-0.3 -0.992 3.6 174.6-135.4 143.8 8.2 14.4 12.7 52 70 A R E -bC 7 238A 22 186,-1.8 186,-2.9 -2,-0.4 2,-0.5 -0.995 17.9-164.0-148.1 142.5 6.6 17.0 15.0 53 71 A F E + C 0 237A 1 -46,-0.7 -44,-0.4 -2,-0.3 -42,-0.3 -0.905 54.0 85.2-129.8 98.9 3.0 17.7 16.1 54 72 A G E S- C 0 236A 0 182,-1.9 182,-2.9 -2,-0.5 23,-0.1 -0.864 71.0 -1.2-165.3-159.7 2.8 21.2 17.6 55 73 A G - 0 0 15 -2,-0.2 -1,-0.1 180,-0.2 180,-0.1 -0.093 51.7-140.6 -47.6 139.8 2.5 24.9 17.3 56 74 A E S > S+ 0 0 2 1,-0.2 4,-2.3 178,-0.2 5,-0.2 0.617 83.1 79.9 -82.2 -15.0 2.2 26.2 13.7 57 75 A I H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 93.3 46.2 -63.1 -49.0 4.3 29.3 13.8 58 76 A P H > S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.946 116.4 45.1 -60.4 -46.0 7.8 27.7 13.6 59 77 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.876 111.1 54.3 -64.6 -35.3 6.7 25.4 10.6 60 78 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.909 110.6 45.6 -64.5 -40.4 5.0 28.3 8.9 61 79 A L H X>S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 5,-2.1 0.874 112.7 50.8 -69.6 -35.9 8.2 30.4 9.1 62 80 A S H <>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 -2,-0.2 0.936 119.6 35.9 -66.2 -45.0 10.2 27.4 7.9 63 81 A E H <5S+ 0 0 15 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.815 125.4 40.1 -77.5 -32.5 7.9 26.8 4.9 64 82 A G H <5S+ 0 0 22 -4,-2.8 262,-0.3 -5,-0.2 261,-0.2 0.718 134.5 3.8 -92.6 -21.6 7.1 30.5 4.2 65 83 A L T <5S+ 0 0 38 -4,-2.3 -3,-0.2 -5,-0.2 -4,-0.1 0.681 125.5 39.4-126.3 -56.2 10.5 32.2 4.7 66 84 A R T < - 0 0 11 -5,-3.0 3,-1.4 -6,-0.2 -1,-0.2 -0.602 65.2-153.8-150.8 84.6 13.2 26.8 3.3 68 86 A P T 3 S+ 0 0 94 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 -0.275 78.8 25.8 -59.3 138.5 10.0 26.0 1.5 69 87 A G T 3 S+ 0 0 46 2,-0.2 172,-0.1 -6,-0.0 -6,-0.1 0.321 80.5 114.3 93.7 -7.7 9.4 22.3 0.8 70 88 A R S < S+ 0 0 120 -3,-1.4 171,-2.2 -8,-0.2 172,-0.4 0.761 80.2 31.5 -68.4 -25.4 11.4 20.8 3.6 71 89 A T E -D 240 0A 3 169,-0.3 2,-0.4 170,-0.1 169,-0.2 -0.878 66.2-142.5-131.9 163.6 8.3 19.4 5.3 72 90 A R E -D 239 0A 60 167,-2.4 167,-1.6 -2,-0.3 2,-0.6 -0.947 23.7-124.2-122.8 145.0 4.8 18.0 4.4 73 91 A L E +De 238 334A 0 260,-2.1 262,-2.5 -2,-0.4 165,-0.2 -0.816 27.0 176.9 -93.5 118.2 1.7 18.7 6.5 74 92 A L E - 0 0 1 163,-3.2 2,-0.3 -2,-0.6 265,-0.2 0.739 60.2 -31.2 -91.5 -27.6 -0.0 15.4 7.5 75 93 A G E -D 237 0A 0 162,-0.9 162,-2.8 226,-0.0 2,-0.3 -0.971 50.3-122.6 179.3 168.1 -2.8 16.8 9.6 76 94 A I E -DF 236 302A 0 226,-2.1 226,-2.4 -2,-0.3 160,-0.2 -0.948 12.7-174.8-129.9 146.6 -4.2 19.5 12.0 77 95 A T E -D 235 0A 4 158,-2.0 158,-2.2 -2,-0.3 222,-0.1 -0.968 28.3-125.0-140.5 121.2 -5.6 19.5 15.5 78 96 A P E -D 234 0A 39 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.155 18.4-151.1 -62.5 162.0 -7.0 22.7 17.0 79 97 A L E +D 233 0A 7 154,-2.0 154,-2.0 -68,-0.1 2,-0.3 -0.981 30.2 140.6-138.9 123.5 -5.8 24.0 20.3 80 98 A L + 0 0 36 -2,-0.4 2,-0.2 211,-0.4 152,-0.1 -0.872 16.0 116.1-164.2 129.6 -7.9 26.1 22.7 81 99 A G - 0 0 11 -2,-0.3 209,-0.3 211,-0.1 210,-0.1 -0.851 68.2 -6.6-166.0-160.0 -8.1 26.1 26.5 82 100 A R S S+ 0 0 70 207,-3.1 126,-0.5 -2,-0.2 2,-0.3 -0.256 76.9 155.1 -49.6 124.4 -7.5 28.3 29.5 83 101 A Q E +G 207 0B 4 124,-0.2 142,-2.7 128,-0.1 143,-0.7 -0.980 7.3 80.9-158.9 141.4 -5.8 31.4 28.1 84 102 A G E S-G 206 0B 0 122,-1.8 122,-2.3 -2,-0.3 2,-0.8 -0.950 75.0 -48.8 155.0-175.7 -5.3 35.1 28.9 85 103 A F E -G 205 0B 0 138,-0.4 137,-2.5 -2,-0.3 138,-0.3 -0.851 58.5-150.9 -94.8 111.0 -3.4 37.7 30.9 86 104 A F E -GH 204 221B 0 118,-2.7 118,-1.3 -2,-0.8 2,-0.3 -0.581 15.7-176.4 -86.7 145.1 -3.4 36.6 34.5 87 105 A V E - H 0 220B 0 133,-2.5 133,-2.3 -2,-0.2 116,-0.1 -0.842 41.5 -77.5-130.5 165.8 -3.3 38.8 37.5 88 106 A R > - 0 0 69 114,-0.4 3,-2.2 -2,-0.3 5,-0.1 -0.346 44.4-116.8 -61.8 147.2 -3.0 38.1 41.3 89 107 A D T 3 S+ 0 0 101 1,-0.3 -1,-0.1 128,-0.1 130,-0.1 0.891 117.8 43.5 -54.3 -40.3 -6.4 37.0 42.7 90 108 A D T 3 S+ 0 0 121 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.179 85.3 132.0 -92.8 18.9 -6.4 40.1 44.9 91 109 A S < - 0 0 5 -3,-2.2 -4,-0.1 2,-0.1 111,-0.0 -0.384 65.9-127.3 -66.5 147.0 -5.2 42.4 42.1 92 110 A P S S+ 0 0 75 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.638 86.5 99.9 -71.1 -10.5 -7.3 45.6 41.8 93 111 A I + 0 0 0 1,-0.2 -2,-0.1 -5,-0.1 3,-0.1 -0.667 34.4 147.4 -79.4 115.7 -7.7 44.7 38.1 94 112 A T + 0 0 101 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.482 62.2 36.1-125.3 -10.0 -11.1 43.1 37.6 95 113 A A S > S- 0 0 44 1,-0.1 3,-1.6 128,-0.0 4,-0.3 -0.964 85.0-107.9-141.7 156.4 -12.1 44.2 34.1 96 114 A A G > S+ 0 0 6 -2,-0.3 3,-1.9 1,-0.3 53,-0.3 0.846 117.3 61.6 -52.6 -38.3 -10.1 44.8 30.9 97 115 A A G > S+ 0 0 50 51,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.802 91.9 67.2 -60.2 -28.9 -10.6 48.5 31.3 98 116 A D G < S+ 0 0 62 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.565 80.4 79.2 -69.9 -7.2 -8.6 48.3 34.5 99 117 A L G X + 0 0 0 -3,-1.9 3,-2.4 -4,-0.3 -1,-0.3 0.641 64.0 119.6 -75.1 -13.1 -5.5 47.4 32.6 100 118 A A T < S+ 0 0 49 -3,-1.5 56,-0.2 1,-0.3 3,-0.1 -0.310 88.0 1.9 -56.2 126.9 -5.0 51.1 31.7 101 119 A G T 3 S+ 0 0 57 54,-3.0 -1,-0.3 1,-0.2 55,-0.2 0.489 104.2 131.1 73.9 3.6 -1.7 52.3 33.0 102 120 A R < - 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0 0 40 -55,-1.7 2,-0.6 -2,-0.2 -53,-0.4 -0.867 49.9 -87.2-142.6 175.1 9.9 39.6 30.9 162 180 A S - 0 0 76 -2,-0.3 -55,-0.1 -55,-0.1 -57,-0.0 -0.807 41.1-164.6 -92.3 123.1 10.8 36.0 30.0 163 181 A S >>> - 0 0 6 -2,-0.6 4,-2.1 41,-0.0 3,-2.0 -0.925 26.9-107.1-111.1 132.0 7.9 34.1 28.5 164 182 A P B 345S+k 168 0C 13 0, 0.0 6,-0.1 0, 0.0 9,-0.0 -0.289 103.8 13.7 -57.9 130.0 7.9 30.3 28.2 165 183 A G T 345S+ 0 0 8 3,-2.0 5,-0.5 4,-0.1 6,-0.1 0.247 127.9 58.3 89.1 -13.6 8.5 29.0 24.7 166 184 A V T <45S+ 0 0 2 -3,-2.0 -32,-0.1 3,-0.2 -1,-0.1 0.783 120.8 14.4-109.5 -64.7 9.6 32.5 23.5 167 185 A D T <5S+ 0 0 67 -4,-2.1 -5,-0.1 1,-0.3 -36,-0.0 0.821 134.7 48.0 -81.8 -34.9 12.6 33.6 25.5 168 186 A V B - 0 0 7 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.020 17.2-112.1 -49.9 151.9 12.9 28.1 23.6 170 188 A A G >> S+ 0 0 27 -5,-0.5 3,-1.8 1,-0.3 4,-1.5 0.789 114.2 74.2 -56.3 -28.8 10.9 24.8 23.4 171 189 A E G 34 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.2 -135,-0.2 0.623 102.5 40.6 -61.3 -12.3 14.2 23.1 23.0 172 190 A Q G <4 S+ 0 0 75 -3,-2.5 -1,-0.3 -136,-0.1 -2,-0.2 0.333 117.2 47.2-115.9 2.4 14.7 23.7 26.7 173 191 A L T <4 S+ 0 0 21 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.394 99.8 76.3-121.7 -3.2 11.2 23.0 27.8 174 192 A E S < S- 0 0 31 -4,-1.5 5,-0.1 1,-0.1 -165,-0.1 -0.812 93.5 -79.2-114.4 153.6 10.6 19.7 26.0 175 193 A E - 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0 0 16 -5,-1.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.707 69.9 -84.7-120.5 173.3 1.2 18.7 35.6 283 301 A S > - 0 0 54 -2,-0.2 4,-1.7 -74,-0.1 5,-0.1 -0.298 32.9-117.5 -75.6 161.1 -2.1 17.6 37.2 284 302 A T H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.859 118.0 55.7 -66.3 -33.2 -4.9 16.0 35.2 285 303 A G H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 104.6 52.0 -65.5 -37.6 -7.1 19.0 36.1 286 304 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -74,-0.3 0.875 108.5 51.8 -66.1 -37.8 -4.5 21.4 34.6 287 305 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.939 109.7 48.5 -64.3 -46.3 -4.5 19.4 31.4 288 306 A G H X S+ 0 0 30 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.897 115.3 45.4 -60.5 -40.9 -8.3 19.6 31.2 289 307 A Q H < S+ 0 0 69 -4,-2.1 -207,-3.1 2,-0.2 -2,-0.2 0.936 116.9 43.6 -68.1 -47.3 -8.2 23.3 31.8 290 308 A G H < S+ 0 0 1 -4,-3.0 -82,-0.4 -209,-0.3 -2,-0.2 0.818 123.7 33.9 -70.0 -31.8 -5.4 24.0 29.4 291 309 A F H < S- 0 0 6 -4,-2.8 -211,-0.4 -5,-0.2 -1,-0.2 0.524 110.6-115.1-103.7 -7.7 -6.6 21.8 26.5 292 310 A G >< - 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0 0 57 -2,-0.2 4,-1.8 1,-0.2 3,-0.6 -0.661 35.2-170.7 -80.6 90.1 0.4 27.4 0.0 330 348 A L H 3> S+ 0 0 5 -2,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.839 76.6 55.8 -52.5 -42.2 -1.3 25.2 2.6 331 349 A D H 34 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.873 111.9 42.2 -61.9 -39.7 -2.9 22.8 0.2 332 350 A Q H <4 S+ 0 0 131 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.788 110.6 56.8 -77.6 -29.1 0.4 21.9 -1.5 333 351 A W H < S+ 0 0 9 -4,-1.8 -260,-2.1 -261,-0.1 -2,-0.2 0.926 97.2 80.6 -65.8 -43.2 2.2 21.8 1.9 334 352 A A B < -e 73 0A 8 -4,-2.3 -260,-0.2 -262,-0.2 3,-0.1 -0.274 67.1-155.4 -64.8 147.9 -0.4 19.2 2.9 335 353 A A >> + 0 0 0 -262,-2.5 3,-1.1 1,-0.1 4,-0.5 -0.734 22.6 173.7-122.1 72.9 0.0 15.5 1.8 336 354 A P H 3> + 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.645 59.8 79.2 -58.1 -22.0 -3.7 14.7 2.1 337 355 A E H 3> S+ 0 0 80 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.861 90.4 53.7 -58.7 -37.8 -3.5 11.2 0.6 338 356 A F H <> S+ 0 0 6 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.963 111.5 40.8 -64.5 -53.9 -2.2 9.7 3.9 339 357 A L H X S+ 0 0 7 -4,-0.5 4,-2.7 -265,-0.2 5,-0.2 0.900 117.3 51.0 -62.5 -39.1 -5.0 10.9 6.2 340 358 A N H X S+ 0 0 73 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 111.1 46.2 -64.3 -48.4 -7.6 10.1 3.6 341 359 A N H X S+ 0 0 82 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.899 113.4 51.6 -59.6 -40.3 -6.3 6.6 3.0 342 360 A S H >< S+ 0 0 0 -4,-2.4 3,-1.0 -5,-0.2 4,-0.4 0.923 111.0 45.5 -63.7 -45.7 -6.1 6.1 6.8 343 361 A L H >< S+ 0 0 40 -4,-2.7 3,-1.4 1,-0.2 4,-0.2 0.820 102.4 67.0 -68.1 -30.4 -9.7 7.2 7.3 344 362 A N H >< S+ 0 0 76 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.699 87.8 68.0 -63.8 -19.1 -10.9 5.1 4.4 345 363 A R T << S+ 0 0 104 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.817 107.3 39.1 -68.8 -29.4 -10.0 2.0 6.5 346 364 A H T < 0 0 102 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.297 360.0 360.0-102.8 7.4 -12.8 2.9 8.8 347 365 A R < 0 0 205 -3,-0.7 -3,-0.0 -4,-0.2 0, 0.0 -0.652 360.0 360.0-101.4 360.0 -15.3 4.1 6.2