==== 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 OXIDOREDUCTASE 14-MAY-04 1T93 . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR B.ZHAO,M.SUNDARAMOORTHY,M.R.WATERMAN . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.5 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 . 1 0.2 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 . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 0 0 1 3 1 3 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 E 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.1 48.9 65.1 102.2 2 5 A T - 0 0 144 1,-0.1 2,-0.7 2,-0.0 0, 0.0 0.301 360.0-115.0 -24.6 140.1 50.1 68.6 101.1 3 6 A I + 0 0 173 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.770 44.5 175.8 -87.8 115.5 48.3 70.3 98.3 4 7 A S - 0 0 101 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.290 24.6 -82.5 -95.6-139.8 50.7 70.7 95.4 5 8 A Q + 0 0 151 1,-0.1 -1,-0.1 3,-0.0 0, 0.0 -0.987 42.5 150.0-142.2 150.4 50.4 72.1 91.9 6 9 A A + 0 0 59 -2,-0.3 298,-0.1 297,-0.0 -1,-0.1 -0.061 57.8 105.7-160.5 25.5 49.3 71.0 88.4 7 10 A V - 0 0 48 296,-0.0 3,-0.1 3,-0.0 30,-0.1 -0.511 45.3-179.1-114.1 62.5 48.2 74.5 87.3 8 11 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.453 35.7-116.0 -62.8 127.8 50.9 75.8 85.0 9 12 A P - 0 0 89 0, 0.0 29,-0.6 0, 0.0 2,-0.5 -0.183 33.5 -92.1 -60.5 160.1 49.6 79.3 84.1 10 13 A V E -a 38 0A 57 27,-0.1 2,-0.5 29,-0.1 29,-0.2 -0.645 44.5-153.0 -75.2 122.0 48.7 80.1 80.4 11 14 A R E -a 39 0A 51 27,-2.3 29,-1.7 -2,-0.5 2,-0.1 -0.877 11.8-125.2-105.7 125.4 51.8 81.4 78.7 12 15 A D E -a 40 0A 115 -2,-0.5 29,-0.2 27,-0.2 35,-0.0 -0.407 17.7-165.6 -67.0 135.7 51.5 83.8 75.8 13 16 A W - 0 0 7 27,-3.0 3,-0.1 -2,-0.1 -1,-0.1 -0.727 15.9-164.6-124.1 77.7 53.4 82.7 72.6 14 17 A P - 0 0 68 0, 0.0 2,-0.6 0, 0.0 65,-0.0 -0.138 33.3 -91.7 -61.2 157.9 53.4 85.8 70.4 15 18 A A + 0 0 51 64,-0.1 2,-0.4 271,-0.0 26,-0.0 -0.619 56.8 170.7 -73.8 117.8 54.3 85.6 66.7 16 19 A V - 0 0 85 -2,-0.6 2,-0.7 -3,-0.1 372,-0.1 -0.993 32.5-135.7-135.6 128.3 58.0 86.2 66.5 17 20 A D - 0 0 72 -2,-0.4 370,-0.1 370,-0.1 -2,-0.0 -0.737 29.1-151.1 -84.3 116.6 60.3 85.8 63.5 18 21 A L - 0 0 26 -2,-0.7 2,-0.2 368,-0.2 6,-0.1 -0.543 16.9-103.9 -89.4 154.5 63.4 84.0 64.6 19 22 A P > - 0 0 78 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.550 69.7 -50.3 -77.5 136.6 67.0 84.2 63.2 20 23 A G T 3 S- 0 0 14 363,-0.4 -2,-0.1 1,-0.3 373,-0.1 -0.026 114.3 -29.7 38.4-123.1 68.2 81.4 60.9 21 24 A S T 3 S+ 0 0 10 228,-0.1 -1,-0.3 371,-0.0 371,-0.0 0.094 92.0 143.4-110.2 20.2 67.7 78.1 62.6 22 25 A D < - 0 0 103 -3,-2.4 2,-0.1 1,-0.1 -4,-0.1 -0.342 56.3-105.6 -62.9 143.0 68.0 79.3 66.2 23 26 A F - 0 0 42 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.361 38.3 -95.7 -70.3 148.4 65.6 77.5 68.6 24 27 A D >> - 0 0 20 1,-0.2 4,-2.0 -2,-0.1 3,-0.7 -0.515 27.4-150.1 -68.7 113.1 62.5 79.3 69.9 25 28 A P H 3> S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.859 96.2 52.7 -49.9 -42.3 63.3 80.9 73.3 26 29 A V H 3> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.847 106.3 51.2 -65.6 -37.0 59.7 80.5 74.4 27 30 A L H <> S+ 0 0 3 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.898 106.1 55.9 -68.0 -38.6 59.5 76.8 73.5 28 31 A T H X S+ 0 0 50 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.946 108.5 48.9 -56.0 -47.3 62.7 76.2 75.5 29 32 A E H X S+ 0 0 94 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.936 111.3 47.6 -56.7 -52.6 60.9 77.8 78.5 30 33 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.871 108.8 56.0 -58.8 -39.4 57.8 75.7 78.1 31 34 A M H < S+ 0 0 42 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.943 111.8 40.7 -59.1 -51.6 59.8 72.5 77.8 32 35 A R H < S+ 0 0 196 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.797 103.9 68.8 -70.0 -28.5 61.6 73.0 81.1 33 36 A E H < S- 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.935 119.1 -62.2 -55.8 -47.0 58.5 74.2 82.9 34 37 A G < - 0 0 17 -4,-1.4 -1,-0.2 -3,-0.2 18,-0.1 -0.945 44.5 -86.2 172.4 168.3 57.0 70.7 82.6 35 38 A P S S+ 0 0 42 0, 0.0 17,-1.2 0, 0.0 2,-0.5 0.823 117.0 41.4 -62.9 -32.3 55.7 67.9 80.4 36 39 A V E S+ B 0 51A 8 15,-0.2 2,-0.2 265,-0.2 15,-0.2 -0.970 74.6 159.8-123.2 120.6 52.3 69.5 80.2 37 40 A T E - B 0 50A 0 13,-2.3 13,-2.7 -2,-0.5 2,-0.4 -0.758 32.9-121.5-129.0 176.1 51.9 73.2 79.8 38 41 A R E -aB 10 49A 51 -29,-0.6 -27,-2.3 11,-0.3 2,-0.3 -0.974 28.2-171.7-124.4 136.8 49.3 75.7 78.6 39 42 A I E -a 11 0A 0 9,-2.8 2,-0.4 8,-1.4 -27,-0.2 -0.906 18.9-154.2-131.7 158.0 49.7 78.2 75.8 40 43 A S E -a 12 0A 42 -29,-1.7 -27,-3.0 -2,-0.3 7,-0.1 -0.999 20.2-164.2-129.0 123.9 48.0 81.1 74.1 41 44 A L - 0 0 10 -2,-0.4 37,-0.2 2,-0.3 38,-0.1 -0.664 33.4 -99.9-107.3 164.6 48.7 81.8 70.5 42 45 A P S S+ 0 0 61 0, 0.0 2,-0.2 0, 0.0 37,-0.2 0.841 99.9 43.0 -49.5 -45.9 48.0 85.0 68.3 43 46 A N B S+F 78 0B 47 35,-2.6 35,-2.2 39,-0.1 -2,-0.3 -0.575 101.9 18.3-106.0 170.0 44.8 83.8 66.6 44 47 A G S S- 0 0 28 33,-0.3 2,-0.3 -2,-0.2 33,-0.3 -0.350 87.2 -93.9 69.9-158.4 41.7 82.0 67.7 45 48 A E S S+ 0 0 97 30,-1.9 32,-0.4 -2,-0.0 2,-0.3 -0.988 70.6 51.5-158.4 148.7 41.1 82.0 71.5 46 49 A G S S- 0 0 46 -2,-0.3 -5,-0.1 30,-0.2 30,-0.0 -0.880 76.2 -88.2 125.4-158.0 41.7 80.0 74.6 47 50 A W - 0 0 81 -2,-0.3 -8,-1.4 -7,-0.1 -36,-0.2 0.269 43.1-160.8-143.8 17.5 44.8 78.4 76.1 48 51 A A - 0 0 6 -10,-0.2 -9,-2.8 -3,-0.1 263,-0.2 0.612 25.3-102.2 1.3 143.3 45.3 74.8 74.7 49 52 A W E -Bc 38 311A 19 261,-2.8 263,-2.8 -11,-0.2 2,-0.4 -0.415 32.1-150.2 -76.0 157.4 47.5 72.3 76.4 50 53 A L E -Bc 37 312A 0 -13,-2.7 -13,-2.3 261,-0.2 2,-0.4 -0.987 6.7-163.1-136.5 123.3 51.0 71.7 75.1 51 54 A V E +Bc 36 313A 0 261,-2.4 263,-1.5 -2,-0.4 -15,-0.2 -0.883 14.9 167.8-103.7 136.2 52.9 68.4 75.3 52 55 A T + 0 0 4 -17,-1.2 2,-0.2 -2,-0.4 -1,-0.1 0.611 39.6 94.8-125.1 -16.4 56.7 68.5 74.7 53 56 A R S > S- 0 0 67 -18,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.556 75.3-119.7 -83.6 148.8 58.4 65.3 75.7 54 57 A H H > S+ 0 0 9 264,-0.3 4,-1.6 1,-0.2 5,-0.1 0.873 110.2 45.5 -50.1 -49.4 59.1 62.5 73.1 55 58 A D H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 114.7 46.2 -67.0 -40.9 57.1 59.8 74.8 56 59 A D H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.837 109.1 55.5 -71.6 -32.3 54.0 62.0 75.5 57 60 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.897 108.6 48.3 -65.4 -39.9 54.0 63.4 72.0 58 61 A R H X S+ 0 0 95 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.878 111.9 51.3 -67.4 -35.9 53.9 59.9 70.6 59 62 A L H >< S+ 0 0 58 -4,-1.6 3,-0.7 2,-0.2 4,-0.5 0.968 111.7 43.7 -64.9 -55.6 51.0 59.1 73.0 60 63 A V H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.879 117.2 45.9 -59.2 -40.6 48.9 62.1 72.1 61 64 A T H 3< S+ 0 0 3 -4,-2.0 287,-0.4 -5,-0.2 -1,-0.2 0.630 119.2 40.9 -80.5 -12.6 49.4 61.7 68.4 62 65 A N T << S+ 0 0 97 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.217 93.3 95.5-120.1 16.0 48.8 58.0 68.4 63 66 A D X - 0 0 35 -3,-0.6 3,-1.8 -4,-0.5 -4,-0.0 -0.933 66.2-141.4-114.9 128.6 45.9 57.6 70.8 64 67 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.609 95.1 77.1 -56.4 -16.1 42.2 57.4 69.7 65 68 A R T 3 S+ 0 0 82 1,-0.1 230,-3.2 229,-0.1 231,-0.6 0.452 88.2 64.5 -77.1 -1.2 41.2 59.6 72.7 66 69 A F E < S-D 294 0A 9 -3,-1.8 2,-0.3 228,-0.2 228,-0.2 -0.984 73.6-171.3-125.8 120.0 42.5 62.7 70.9 67 70 A G E -D 293 0A 0 226,-3.0 226,-3.3 -2,-0.5 27,-0.1 -0.755 32.2-161.4-118.1 161.8 40.7 63.8 67.7 68 71 A R S >> S+ 0 0 25 -2,-0.3 3,-1.3 224,-0.2 4,-0.6 0.713 86.3 72.7-101.7 -32.6 41.1 66.2 64.8 69 72 A E G >4 S+ 0 0 116 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.891 97.2 50.6 -50.1 -47.2 37.4 66.2 63.6 70 73 A A G >> S+ 0 0 16 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.637 88.9 80.5 -70.3 -16.5 36.3 68.2 66.6 71 74 A V G <4>S+ 0 0 0 -3,-1.3 5,-0.5 1,-0.3 -1,-0.2 0.844 84.7 62.7 -60.3 -31.2 38.9 70.9 66.1 72 75 A M G <<5S+ 0 0 40 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.785 93.5 70.1 -63.8 -27.3 36.6 72.4 63.5 73 76 A D T <45S+ 0 0 125 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.1 0.963 103.9 18.7 -53.7 -90.8 34.0 73.0 66.2 74 77 A R T <5S- 0 0 149 -4,-0.5 2,-0.9 1,-0.1 0, 0.0 -0.107 92.2 -98.2 -74.7 179.5 35.2 75.7 68.4 75 78 A Q T 5 - 0 0 81 -30,-0.1 -30,-1.9 3,-0.0 3,-0.1 -0.662 43.0-158.5-105.6 77.7 38.0 78.2 67.5 76 79 A V < - 0 0 12 -2,-0.9 -30,-0.2 -5,-0.5 2,-0.2 -0.128 30.4 -95.4 -53.1 145.6 41.1 76.7 69.1 77 80 A T + 0 0 3 -32,-0.4 2,-0.3 -33,-0.3 -33,-0.3 -0.455 62.2 158.3 -65.5 133.2 43.9 79.1 69.7 78 81 A R B -F 43 0B 30 -35,-2.2 -35,-2.6 -37,-0.2 211,-0.1 -0.956 53.0-115.2-153.2 171.5 46.4 78.9 66.9 79 82 A L S S+ 0 0 16 209,-0.4 -1,-0.1 210,-0.3 210,-0.1 0.937 96.8 63.1 -75.7 -49.6 49.2 80.6 64.9 80 83 A A S S- 0 0 9 209,-0.2 99,-0.2 2,-0.1 98,-0.1 -0.594 77.2-138.4 -80.5 133.5 47.4 80.9 61.6 81 84 A P S S+ 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.837 92.5 41.3 -59.5 -26.2 44.3 83.1 61.4 82 85 A H S S- 0 0 6 93,-0.1 2,-0.4 -39,-0.0 -2,-0.1 -0.622 91.9-108.0-113.0 171.8 42.8 80.4 59.3 83 86 A F - 0 0 37 -2,-0.2 207,-0.0 1,-0.1 -5,-0.0 -0.864 24.0-148.5 -98.8 136.4 42.8 76.6 59.4 84 87 A I S S+ 0 0 40 -2,-0.4 -1,-0.1 2,-0.1 2,-0.1 0.942 72.2 68.4 -73.5 -50.0 44.9 75.1 56.6 85 88 A P S S- 0 0 11 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.390 85.7-112.1 -74.8 150.4 43.0 71.8 55.9 86 89 A A > - 0 0 22 145,-0.2 3,-2.2 1,-0.1 6,-0.3 -0.371 41.0 -91.6 -75.1 159.8 39.6 71.7 54.3 87 90 A R T 3 S+ 0 0 189 1,-0.3 -1,-0.1 -2,-0.1 -15,-0.1 0.492 126.7 27.4 -52.3 -4.4 36.6 70.6 56.2 88 91 A G T 3 S+ 0 0 16 139,-0.2 -1,-0.3 5,-0.1 144,-0.1 0.268 90.1 123.0-140.9 9.2 37.1 67.0 55.0 89 92 A A S X S- 0 0 0 -3,-2.2 3,-2.2 142,-0.2 143,-0.1 -0.327 78.3-102.2 -71.9 157.8 40.9 66.8 54.4 90 93 A V G > S+ 0 0 13 1,-0.3 3,-1.8 138,-0.3 -1,-0.1 0.796 119.5 67.9 -52.1 -31.6 42.9 64.1 56.1 91 94 A G G 3 S+ 0 0 9 1,-0.3 -1,-0.3 140,-0.1 -4,-0.1 0.817 108.6 37.3 -59.0 -29.2 44.2 66.8 58.5 92 95 A F G < S+ 0 0 6 -3,-2.2 2,-0.4 -6,-0.3 -1,-0.3 0.046 100.9 97.4-109.8 21.9 40.7 67.0 59.9 93 96 A L < - 0 0 17 -3,-1.8 -5,-0.1 -25,-0.1 -25,-0.0 -0.885 60.0-144.5-113.9 146.4 39.8 63.3 59.7 94 97 A D >> - 0 0 20 -2,-0.4 4,-2.6 -26,-0.1 3,-0.5 -0.811 42.4 -78.0-108.9 152.3 40.0 60.7 62.5 95 98 A P H 3> S+ 0 0 48 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.540 121.6 56.5 -10.3 -63.4 41.0 57.0 62.2 96 99 A P H 3> S+ 0 0 104 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.936 128.5 15.5 -44.3 -77.3 37.7 55.6 60.8 97 100 A D H <> S+ 0 0 63 -3,-0.5 4,-1.8 1,-0.2 5,-0.2 0.896 125.5 61.3 -63.6 -41.8 37.5 57.9 57.7 98 101 A H H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.878 100.4 55.5 -53.7 -42.1 41.2 58.9 58.0 99 102 A T H X S+ 0 0 65 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.916 107.5 45.0 -61.4 -48.5 42.4 55.4 57.6 100 103 A R H X S+ 0 0 71 -4,-1.2 4,-0.9 -5,-0.4 -1,-0.2 0.828 112.3 54.4 -70.9 -23.7 40.6 54.6 54.3 101 104 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 4,-0.4 0.964 110.2 43.8 -71.6 -47.1 41.7 58.0 52.9 102 105 A R H >X S+ 0 0 29 -4,-2.4 4,-1.2 1,-0.2 3,-1.0 0.835 107.8 61.3 -64.6 -31.2 45.4 57.4 53.6 103 106 A R H 3< S+ 0 0 165 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.813 91.7 69.1 -64.0 -29.3 45.1 53.9 52.3 104 107 A S T << S+ 0 0 25 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.716 118.0 16.1 -65.5 -23.0 44.1 55.3 48.9 105 108 A V T X> S+ 0 0 2 -3,-1.0 3,-1.9 -4,-0.4 4,-0.6 0.371 91.4 109.4-130.3 2.0 47.5 56.7 48.1 106 109 A A H >X S+ 0 0 49 -4,-1.2 3,-1.4 1,-0.3 4,-0.5 0.830 73.8 60.0 -49.4 -42.1 49.8 55.0 50.6 107 110 A A H 34 S+ 0 0 76 -4,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.722 99.3 58.1 -63.2 -21.1 51.5 52.8 47.9 108 111 A A H <4 S+ 0 0 2 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.679 109.3 44.5 -81.6 -16.7 52.8 55.9 46.1 109 112 A F H << S+ 0 0 12 -3,-1.4 245,-0.4 -4,-0.6 246,-0.3 0.353 82.7 108.0-112.1 4.9 54.6 57.2 49.2 110 113 A T S X S- 0 0 68 -4,-0.5 4,-3.0 -3,-0.3 5,-0.3 -0.271 86.4-100.1 -74.8 169.6 56.5 54.3 50.7 111 114 A A H > S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.926 128.9 45.0 -55.5 -46.0 60.2 54.0 50.4 112 115 A R H > S+ 0 0 213 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.912 112.9 52.5 -64.3 -42.2 59.7 51.6 47.5 113 116 A G H >4 S+ 0 0 3 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.938 112.1 41.4 -61.0 -50.7 57.1 53.8 46.0 114 117 A V H >< S+ 0 0 4 -4,-3.0 3,-1.9 1,-0.2 4,-0.3 0.764 100.8 70.9 -72.6 -23.0 59.0 57.1 45.9 115 118 A E H >< S+ 0 0 101 -4,-1.5 3,-1.3 -5,-0.3 4,-0.5 0.795 85.8 72.0 -62.6 -22.7 62.2 55.3 44.8 116 119 A R T << S+ 0 0 130 -3,-1.0 -1,-0.3 -4,-0.7 4,-0.2 0.716 99.9 43.2 -63.9 -21.0 60.3 54.9 41.5 117 120 A V T <> S+ 0 0 22 -3,-1.9 4,-2.5 -4,-0.2 -1,-0.3 0.371 87.9 101.4-105.4 3.3 60.7 58.7 40.8 118 121 A R H <> S+ 0 0 50 -3,-1.3 4,-2.1 -4,-0.3 -2,-0.1 0.933 84.3 37.6 -51.0 -62.6 64.4 58.8 41.9 119 122 A E H > S+ 0 0 133 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.892 116.1 53.6 -63.2 -39.4 66.1 58.8 38.5 120 123 A R H > S+ 0 0 194 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 111.8 45.5 -60.7 -42.5 63.5 61.0 36.9 121 124 A S H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.852 107.3 58.4 -69.3 -36.4 63.9 63.6 39.7 122 125 A R H X S+ 0 0 122 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 107.9 46.2 -60.0 -44.0 67.7 63.4 39.5 123 126 A G H X S+ 0 0 31 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.903 111.4 52.5 -65.5 -39.9 67.6 64.4 35.9 124 127 A M H X S+ 0 0 40 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.879 110.7 47.6 -62.4 -40.2 65.2 67.2 36.7 125 128 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.876 107.4 55.1 -71.2 -37.3 67.5 68.4 39.4 126 129 A D H X S+ 0 0 27 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.876 104.9 54.8 -63.9 -35.0 70.6 68.3 37.1 127 130 A E H X S+ 0 0 135 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.894 110.6 45.4 -64.0 -40.6 68.8 70.5 34.6 128 131 A L H X S+ 0 0 42 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.920 115.3 45.9 -69.4 -44.2 68.1 73.1 37.3 129 132 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.915 112.1 51.9 -65.1 -41.6 71.7 73.0 38.6 130 133 A D H X S+ 0 0 36 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.921 107.7 52.0 -60.4 -44.1 73.1 73.1 35.1 131 134 A A H X S+ 0 0 61 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.864 110.9 48.1 -60.8 -36.1 71.0 76.2 34.3 132 135 A M H X S+ 0 0 8 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.917 108.3 53.7 -69.8 -43.7 72.4 77.9 37.5 133 136 A L H < S+ 0 0 36 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.799 110.1 50.0 -60.6 -28.4 75.9 76.9 36.5 134 137 A R H < S+ 0 0 172 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.908 106.5 54.2 -77.0 -43.6 75.2 78.6 33.1 135 138 A A H < S- 0 0 88 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.984 115.4 -89.7 -53.5 -74.1 73.9 81.9 34.6 136 139 A G < - 0 0 17 -4,-1.5 -1,-0.1 1,-0.1 -2,-0.1 -0.608 31.7 -81.1 158.6 141.4 76.8 82.7 36.9 137 140 A P S S+ 0 0 41 0, 0.0 2,-0.6 0, 0.0 262,-0.2 0.699 105.2 79.6 -21.5 -60.1 78.4 82.3 40.4 138 141 A P S S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 262,-0.2 -0.444 71.9 145.6 -61.5 110.6 76.3 85.0 42.0 139 142 A A E -G 399 0C 20 260,-1.9 260,-2.6 -2,-0.6 2,-0.9 -0.986 56.9-120.5-148.1 157.9 73.1 83.0 42.5 140 143 A D E > -G 398 0C 43 -2,-0.3 2,-2.4 258,-0.2 4,-2.4 -0.874 24.6-154.4 -99.5 103.0 70.1 82.6 44.9 141 144 A L T 4 S+ 0 0 0 256,-3.1 -1,-0.1 -2,-0.9 255,-0.1 -0.339 89.7 44.9 -78.3 57.5 70.3 78.9 45.9 142 145 A T T 4>S+ 0 0 15 -2,-2.4 5,-2.7 4,-0.1 -1,-0.2 0.102 113.3 43.7-157.9 -50.6 66.6 78.8 46.7 143 146 A E T 45S+ 0 0 119 -3,-0.2 -2,-0.2 1,-0.2 253,-0.0 0.844 121.3 43.4 -74.1 -30.6 65.0 80.6 43.7 144 147 A A T <5S- 0 0 15 -4,-2.4 -1,-0.2 3,-0.1 -3,-0.2 0.822 139.8 -12.8 -82.8 -35.1 67.4 78.7 41.3 145 148 A V T >5S+ 0 0 0 -5,-0.3 4,-2.2 3,-0.1 -4,-0.1 0.648 122.0 59.7-134.8 -53.9 67.1 75.2 42.9 146 149 A L T 45S+ 0 0 0 1,-0.2 -3,-0.2 2,-0.2 101,-0.1 0.759 115.0 37.1 -61.2 -28.3 65.6 74.7 46.3 147 150 A S T > S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.829 109.1 56.3 -62.0 -35.2 61.8 74.8 41.7 149 152 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.975 108.7 42.0 -65.2 -57.1 63.0 71.3 42.4 150 153 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.877 114.6 54.0 -59.6 -34.8 60.5 70.3 45.1 151 154 A I H X S+ 0 0 13 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.921 110.6 45.6 -63.5 -43.1 57.7 72.0 43.1 152 155 A A H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.898 112.7 51.3 -66.7 -40.6 58.5 70.0 40.0 153 156 A V H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.928 114.1 41.3 -64.5 -46.1 58.8 66.7 42.0 154 157 A I H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.890 115.2 51.4 -72.1 -34.4 55.4 67.1 43.8 155 158 A C H X>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.3 4,-1.8 0.939 111.4 47.1 -66.5 -44.1 53.7 68.3 40.6 156 159 A E H <5S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.909 114.5 47.1 -62.9 -40.4 55.0 65.4 38.6 157 160 A L H <5S+ 0 0 17 -4,-2.0 54,-2.8 -5,-0.2 -1,-0.2 0.851 114.8 46.9 -69.8 -33.5 54.0 62.9 41.3 158 161 A M H <5S- 0 0 0 -4,-2.3 54,-1.8 52,-0.2 -1,-0.2 0.729 113.8-113.2 -80.8 -23.0 50.5 64.5 41.6 159 162 A G T <5 + 0 0 27 -4,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.650 62.5 152.0 97.7 17.3 49.8 64.7 37.9 160 163 A V < - 0 0 3 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.718 49.2-114.9 -84.1 125.9 49.8 68.5 37.8 161 164 A P > - 0 0 61 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.260 19.8-119.9 -59.8 145.4 50.9 69.8 34.3 162 165 A A G > S+ 0 0 54 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.803 112.6 63.6 -56.3 -30.9 54.2 71.7 34.2 163 166 A T G 3 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.661 102.3 50.6 -69.5 -14.7 52.3 74.7 32.9 164 167 A D G X> S+ 0 0 43 -3,-2.2 4,-1.7 1,-0.1 3,-0.6 0.371 78.8 97.8-103.2 2.7 50.4 74.9 36.2 165 168 A R H <> S+ 0 0 74 -3,-1.2 4,-2.3 -4,-0.3 5,-0.2 0.899 79.6 56.5 -59.0 -40.2 53.4 74.7 38.6 166 169 A H H 3> S+ 0 0 123 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.842 105.7 51.8 -60.8 -34.0 53.4 78.5 39.1 167 170 A S H <> S+ 0 0 23 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.903 107.9 51.4 -68.6 -42.8 49.8 78.4 40.2 168 171 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.934 112.5 45.6 -59.5 -47.0 50.5 75.7 42.8 169 172 A H H X S+ 0 0 63 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.909 112.2 51.6 -64.6 -42.5 53.4 77.7 44.2 170 173 A T H X S+ 0 0 74 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.964 115.3 40.7 -59.6 -51.6 51.4 80.9 44.3 171 174 A W H X S+ 0 0 39 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.919 113.0 53.8 -64.2 -45.7 48.5 79.4 46.2 172 175 A T H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.925 110.5 46.1 -56.4 -46.7 50.7 77.3 48.5 173 176 A Q H < S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.782 110.7 53.0 -70.4 -23.8 52.7 80.3 49.7 174 177 A L H < S+ 0 0 66 -4,-1.3 3,-0.4 -3,-0.3 -1,-0.2 0.869 114.5 42.8 -75.3 -35.9 49.5 82.4 50.1 175 178 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.892 122.8 36.3 -75.2 -43.4 48.1 79.6 52.3 176 179 A L S < S+ 0 0 26 -4,-2.9 2,-3.1 -5,-0.2 214,-0.8 0.111 81.4 125.8 -93.4 18.0 51.3 79.0 54.3 177 180 A S S > S- 0 0 28 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 -0.164 105.2 -87.1 -71.8 46.9 51.9 82.7 54.1 178 181 A S T 4 - 0 0 3 -2,-3.1 2,-5.9 1,-0.3 -1,-0.2 0.626 54.2-118.9 55.5 8.0 52.2 82.5 57.8 179 182 A S T >4 S+ 0 0 0 1,-0.3 3,-1.0 -5,-0.2 6,-0.3 -0.001 113.1 75.6 55.6 -43.0 48.5 83.0 57.3 180 183 A H T 34 + 0 0 94 -2,-5.9 -1,-0.3 1,-0.3 -2,-0.2 0.412 68.2 91.3 -75.3 3.8 48.9 86.2 59.4 181 184 A G T 3< S- 0 0 51 -4,-1.2 -1,-0.3 -7,-0.1 2,-0.3 0.328 125.2 -63.7 -78.1 8.9 50.4 87.4 56.1 182 185 A A < - 0 0 58 -3,-1.0 -8,-0.0 -4,-0.1 -4,-0.0 -0.826 53.2-104.1 151.8-101.8 46.7 88.4 55.6 183 186 A E S > S+ 0 0 85 -2,-0.3 3,-2.8 -9,-0.1 4,-0.3 0.039 80.7 124.3 159.1 -7.3 44.1 85.6 55.5 184 187 A V T 3> + 0 0 75 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.590 55.9 95.9 -47.7 -4.9 43.7 85.9 51.7 185 188 A S H 3> + 0 0 2 -6,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.766 69.4 59.2 -60.1 -33.1 44.6 82.3 52.5 186 189 A E H <> S+ 0 0 75 -3,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.913 106.5 46.1 -67.4 -43.7 40.9 81.2 52.4 187 190 A R H > S+ 0 0 181 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.899 113.1 51.1 -64.9 -39.1 40.4 82.3 48.8 188 191 A A H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.890 109.0 50.9 -64.6 -40.7 43.7 80.6 47.9 189 192 A K H X S+ 0 0 24 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.939 111.0 48.9 -61.0 -47.3 42.5 77.4 49.6 190 193 A N H X S+ 0 0 100 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.871 110.5 50.1 -60.3 -40.4 39.2 77.6 47.6 191 194 A E H X S+ 0 0 95 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.884 113.6 45.1 -67.1 -37.4 41.0 78.1 44.3 192 195 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.873 110.2 55.6 -72.0 -36.6 43.3 75.2 45.0 193 196 A N H X S+ 0 0 43 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.707 110.7 45.6 -66.6 -22.5 40.3 73.2 46.1 194 197 A A H X S+ 0 0 49 -4,-1.0 4,-2.2 -5,-0.2 -1,-0.2 0.815 108.5 55.9 -88.4 -36.3 38.7 73.9 42.8 195 198 A Y H X S+ 0 0 35 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.942 111.3 42.7 -61.4 -49.1 41.8 73.1 40.8 196 199 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.800 108.9 58.4 -71.6 -24.5 42.1 69.6 42.2 197 200 A S H X S+ 0 0 37 -4,-0.6 4,-2.5 -5,-0.2 5,-0.3 0.959 111.1 43.6 -65.4 -47.3 38.4 69.0 41.9 198 201 A D H X S+ 0 0 102 -4,-2.2 4,-4.1 2,-0.2 6,-0.2 0.927 115.8 47.1 -60.9 -47.8 38.8 69.7 38.1 199 202 A L H <>S+ 0 0 19 -4,-2.5 5,-1.4 2,-0.2 -2,-0.2 0.915 114.4 45.6 -63.1 -45.7 42.0 67.6 37.8 200 203 A I H <5S+ 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.928 125.1 33.6 -64.9 -43.9 40.7 64.6 39.7 201 204 A G H <5S+ 0 0 38 -4,-2.5 2,-0.5 -5,-0.3 4,-0.2 0.967 112.6 65.3 -74.4 -54.4 37.4 64.7 37.8 202 205 A L T <5S- 0 0 126 -4,-4.1 2,-1.7 -5,-0.3 -1,-0.1 -0.597 129.4 -22.3 -75.0 118.6 38.8 65.9 34.5 203 206 A R T 5S+ 0 0 68 -2,-0.5 3,-0.4 1,-0.2 -1,-0.2 -0.255 117.3 89.8 79.3 -49.6 41.1 63.4 32.9 204 207 A S < + 0 0 3 -2,-1.7 -1,-0.2 -5,-1.4 -2,-0.1 0.258 61.7 93.3 -65.4 17.8 41.9 61.6 36.2 205 208 A D S S+ 0 0 119 -4,-0.2 -1,-0.3 11,-0.1 2,-0.1 -0.020 84.9 52.4 -99.5 29.4 38.9 59.4 35.4 206 209 A S S S- 0 0 80 -3,-0.4 2,-0.5 7,-0.0 -2,-0.1 -0.201 103.9 -58.5-131.1-138.6 41.2 56.9 33.7 207 210 A A + 0 0 99 -2,-0.1 2,-0.3 9,-0.0 -2,-0.1 -0.910 59.8 143.0-127.9 107.5 44.5 55.0 34.6 208 211 A G - 0 0 28 -2,-0.5 -4,-0.0 2,-0.2 0, 0.0 -0.920 50.8-130.7-136.6 161.3 47.6 56.8 35.5 209 212 A E S S+ 0 0 146 -2,-0.3 -1,-0.1 4,-0.1 5,-0.0 0.677 80.2 100.9 -83.6 -19.4 50.5 56.3 37.9 210 213 A D S > S- 0 0 37 1,-0.1 4,-2.0 -51,-0.0 3,-0.5 -0.246 85.2-113.4 -66.6 155.3 50.2 59.8 39.2 211 214 A V H > S+ 0 0 0 -54,-2.8 4,-2.6 1,-0.2 5,-0.2 0.840 112.8 54.5 -60.7 -38.3 48.4 60.5 42.5 212 215 A T H > S+ 0 0 0 -54,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.853 108.8 50.0 -68.1 -29.4 45.4 62.4 41.1 213 216 A S H > S+ 0 0 9 -3,-0.5 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