==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-APR-10 2XC3 . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450 125; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.OUELLET,P.M.KELLS,P.R.ORTIZ DE MONTELLANO,L.M.PODUST . 409 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.8 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 0.2 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 . 28 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 3 2 1 0 0 3 2 2 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 S 0 0 126 0, 0.0 2,-0.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 120.2 37.9 68.2 35.8 2 20 A P - 0 0 20 0, 0.0 2,-1.1 0, 0.0 26,-0.1 -0.527 360.0-107.8 -81.8 159.9 37.7 64.5 37.0 3 21 A N + 0 0 131 -2,-0.2 24,-0.1 24,-0.1 25,-0.1 -0.762 66.1 130.1 -89.4 91.9 40.8 62.3 36.5 4 22 A L - 0 0 33 -2,-1.1 3,-0.1 23,-0.1 20,-0.0 -0.957 62.7 -86.7-133.7 162.2 39.9 59.9 33.8 5 23 A P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 2,-0.0 -0.276 59.8 -86.2 -64.2 148.6 41.6 58.8 30.6 6 24 A P T 3 S+ 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.353 112.6 7.1 -58.9 135.3 41.0 60.9 27.5 7 25 A G T 3 S+ 0 0 72 1,-0.2 33,-0.1 -3,-0.1 30,-0.0 0.546 85.6 168.1 71.0 8.9 37.8 59.9 25.7 8 26 A F < - 0 0 26 -3,-2.0 2,-0.5 1,-0.1 -1,-0.2 -0.260 17.4-162.2 -54.1 141.8 36.7 57.4 28.4 9 27 A D > - 0 0 16 1,-0.1 3,-2.1 28,-0.1 6,-0.2 -0.960 15.3-154.8-131.9 117.1 33.1 56.3 27.9 10 28 A F T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.566 96.3 56.0 -70.4 -7.7 31.3 54.7 30.8 11 29 A T T 3 S+ 0 0 0 69,-0.1 -1,-0.3 4,-0.0 282,-0.0 0.303 74.0 128.3-102.5 10.3 29.0 52.8 28.4 12 30 A D X> - 0 0 58 -3,-2.1 3,-1.7 1,-0.2 4,-1.0 -0.519 51.4-152.7 -68.3 114.0 31.9 51.2 26.5 13 31 A P H 3> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 377,-0.5 0.784 91.2 69.8 -60.3 -23.4 31.1 47.4 26.3 14 32 A A H 34 S+ 0 0 33 1,-0.2 4,-0.3 2,-0.2 5,-0.1 0.814 97.3 52.6 -68.0 -26.5 34.8 46.6 26.1 15 33 A I H X> S+ 0 0 17 -3,-1.7 4,-2.2 -6,-0.2 3,-2.1 0.983 109.6 46.4 -63.9 -54.7 35.1 47.8 29.8 16 34 A Y H 3< S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.688 98.0 69.5 -70.4 -23.8 32.4 45.5 31.1 17 35 A A T 3< S+ 0 0 30 -4,-1.7 370,-0.5 1,-0.2 -1,-0.3 0.743 119.3 21.8 -62.1 -21.1 33.6 42.4 29.3 18 36 A E T <4 S- 0 0 168 -3,-2.1 2,-0.3 1,-0.4 -2,-0.2 0.682 130.0 -21.5-113.1 -34.4 36.5 42.6 31.7 19 37 A R < - 0 0 98 -4,-2.2 -1,-0.4 -5,-0.1 0, 0.0 -0.979 60.0 -94.2-164.9 168.5 35.5 44.6 34.8 20 38 A L - 0 0 33 -2,-0.3 2,-2.3 -3,-0.1 3,-0.3 -0.892 40.4-124.4 -95.2 141.0 33.2 47.1 36.4 21 39 A P > + 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.371 54.4 150.9 -86.5 61.9 34.8 50.6 36.3 22 40 A V H > + 0 0 53 -2,-2.3 4,-2.4 1,-0.2 5,-0.2 0.904 67.8 49.3 -63.3 -46.4 34.5 51.0 40.1 23 41 A A H > S+ 0 0 70 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.878 110.7 51.6 -58.0 -42.6 37.5 53.4 40.5 24 42 A E H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 110.3 47.7 -66.9 -40.2 36.2 55.6 37.7 25 43 A F H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.915 110.8 52.1 -64.2 -40.6 32.7 55.9 39.2 26 44 A A H X S+ 0 0 28 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.888 107.3 53.1 -63.5 -37.4 34.3 56.7 42.6 27 45 A E H X S+ 0 0 44 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.916 110.3 48.1 -60.0 -48.1 36.4 59.5 40.9 28 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 109.6 50.7 -60.2 -46.8 33.2 61.0 39.5 29 47 A R H < S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.894 118.3 40.7 -56.9 -36.0 31.3 60.9 42.8 30 48 A S H < S+ 0 0 103 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.866 134.2 14.3 -75.3 -47.4 34.3 62.6 44.5 31 49 A A H < S+ 0 0 48 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.639 137.6 10.6-114.3 -25.0 35.2 65.2 41.8 32 50 A A < + 0 0 16 -4,-2.4 -1,-0.1 -5,-0.4 -2,-0.1 -0.464 59.2 178.2-160.3 74.3 32.5 65.6 39.1 33 51 A P S S+ 0 0 51 0, 0.0 23,-1.6 0, 0.0 2,-0.5 0.721 82.2 38.0 -69.9 -18.5 29.3 63.9 40.2 34 52 A I E S+A 55 0A 17 21,-0.2 2,-0.4 22,-0.1 21,-0.2 -0.983 86.5 173.2-124.4 117.3 27.4 65.0 37.0 35 53 A W E -A 54 0A 50 19,-1.7 19,-3.3 -2,-0.5 2,-0.6 -0.978 36.8-120.2-134.2 134.9 29.9 64.8 34.2 36 54 A W E -A 53 0A 86 -2,-0.4 2,-1.0 17,-0.2 17,-0.2 -0.612 24.1-161.5 -78.0 115.4 29.6 65.2 30.4 37 55 A N E -A 52 0A 0 15,-3.0 15,-1.7 -2,-0.6 -1,-0.1 -0.823 15.2-152.8 -95.3 94.5 30.7 61.9 28.9 38 56 A G E -A 51 0A 34 -2,-1.0 2,-0.4 13,-0.2 13,-0.3 -0.374 6.9-158.7 -68.2 151.3 31.5 63.0 25.3 39 57 A Q - 0 0 14 11,-2.3 5,-0.2 -2,-0.1 3,-0.1 -0.998 16.9-124.4-132.7 127.7 31.2 60.4 22.5 40 58 A D > - 0 0 121 -2,-0.4 3,-2.5 3,-0.2 4,-0.1 -0.308 47.2 -78.8 -64.4 156.5 33.0 60.8 19.1 41 59 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 -0.256 121.3 15.0 -60.1 135.4 30.8 60.6 16.0 42 60 A G T 3 S+ 0 0 35 5,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.418 112.7 82.7 81.4 0.6 30.0 57.0 15.2 43 61 A K < + 0 0 113 -3,-2.5 -3,-0.2 1,-0.1 5,-0.1 0.134 56.4 100.9-121.6 23.3 31.0 55.9 18.7 44 62 A G S > S- 0 0 2 3,-0.3 3,-1.3 40,-0.2 -1,-0.1 0.155 94.0-108.8 -99.0 17.2 27.8 56.7 20.6 45 63 A G T 3 S- 0 0 0 1,-0.3 37,-1.8 -3,-0.2 39,-0.1 0.827 88.3 -37.0 64.8 33.1 26.3 53.2 20.8 46 64 A G T 3 S+ 0 0 4 1,-0.4 2,-0.3 38,-0.3 -1,-0.3 0.238 120.4 105.4 100.4 -13.5 23.5 54.1 18.4 47 65 A F < - 0 0 8 -3,-1.3 -1,-0.4 33,-0.2 -3,-0.3 -0.817 49.0-167.2-102.1 143.5 23.0 57.7 19.6 48 66 A H + 0 0 143 -2,-0.3 -1,-0.0 1,-0.1 -3,-0.0 -0.272 57.5 102.8-126.1 42.4 24.3 60.5 17.4 49 67 A D S S- 0 0 65 -5,-0.1 -1,-0.1 2,-0.1 265,-0.1 0.220 93.5-103.2-119.2 7.7 24.1 63.4 19.9 50 68 A G S S- 0 0 41 -3,-0.2 -11,-2.3 -10,-0.1 2,-0.3 0.319 76.0 -49.9 89.3 -2.4 27.7 63.8 21.0 51 69 A G E -A 38 0A 0 -13,-0.3 263,-0.5 -7,-0.1 2,-0.3 -0.946 56.8-105.4 136.7-164.6 27.5 62.2 24.4 52 70 A F E -A 37 0A 0 -15,-1.7 -15,-3.0 -2,-0.3 2,-0.6 -0.973 31.1 -92.7-157.1 160.2 25.5 62.2 27.6 53 71 A W E -Ab 36 315A 43 261,-2.6 263,-3.1 -2,-0.3 2,-0.5 -0.797 36.3-139.8 -81.1 122.2 25.5 63.4 31.3 54 72 A A E -Ab 35 316A 0 -19,-3.3 -19,-1.7 -2,-0.6 2,-0.6 -0.717 14.2-157.9 -81.9 121.5 26.9 60.6 33.6 55 73 A I E +Ab 34 317A 0 261,-2.8 263,-2.7 -2,-0.5 267,-0.2 -0.926 23.2 161.9-106.4 120.9 24.8 60.6 36.8 56 74 A T + 0 0 0 -23,-1.6 2,-0.3 -2,-0.6 -1,-0.1 0.566 43.4 82.9-121.7 -9.7 26.7 59.0 39.6 57 75 A K S > S- 0 0 17 -24,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.772 71.2-131.7-107.9 145.8 25.1 60.1 42.9 58 76 A L H > S+ 0 0 8 -2,-0.3 4,-2.5 264,-0.3 5,-0.2 0.889 104.7 55.5 -64.6 -40.6 22.0 58.4 44.4 59 77 A N H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 108.6 48.2 -62.0 -36.9 20.1 61.6 45.1 60 78 A D H > S+ 0 0 3 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.872 108.2 54.1 -71.7 -36.9 20.4 62.7 41.4 61 79 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 288,-0.2 0.942 111.4 46.9 -62.1 -41.6 19.2 59.2 40.3 62 80 A K H X S+ 0 0 97 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.907 111.3 50.1 -64.2 -41.1 16.1 59.7 42.5 63 81 A E H X S+ 0 0 62 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.942 113.0 45.5 -67.0 -43.6 15.4 63.2 41.3 64 82 A I H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.921 112.7 52.1 -62.1 -42.4 15.6 62.2 37.6 65 83 A S H < S+ 0 0 5 -4,-2.3 287,-0.6 -5,-0.2 288,-0.3 0.825 109.9 48.9 -63.5 -36.0 13.5 59.1 38.3 66 84 A R H < S+ 0 0 180 -4,-2.0 2,-1.8 1,-0.2 -1,-0.2 0.907 103.3 61.4 -65.7 -43.3 10.8 61.2 40.0 67 85 A H >X + 0 0 56 -4,-1.9 4,-3.0 1,-0.2 3,-0.8 -0.476 56.7 151.6 -93.0 66.6 10.5 63.9 37.2 68 86 A S T 34 + 0 0 39 -2,-1.8 5,-0.2 -3,-0.3 -1,-0.2 0.585 66.1 67.7 -75.7 -10.9 9.4 61.7 34.3 69 87 A D T 34 S+ 0 0 113 -3,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.830 116.3 26.5 -70.7 -33.4 7.6 64.6 32.7 70 88 A V T <4 S+ 0 0 2 -3,-0.8 229,-2.3 1,-0.2 2,-1.1 0.861 120.7 56.3 -92.7 -46.7 11.0 66.2 32.1 71 89 A F E < S-C 298 0A 0 -4,-3.0 2,-0.2 -7,-0.3 227,-0.2 -0.740 83.7-157.1 -99.8 91.9 13.2 63.0 31.9 72 90 A S E -C 297 0A 0 225,-2.9 225,-2.0 -2,-1.1 4,-0.3 -0.562 27.3-172.7 -77.4 133.7 11.6 60.9 29.2 73 91 A S S > S+ 0 0 0 -2,-0.2 4,-1.1 -5,-0.2 3,-0.2 0.757 89.2 53.6 -83.0 -36.5 11.9 57.2 28.7 74 92 A Y T 4 S+ 0 0 93 1,-0.2 21,-0.1 2,-0.2 -1,-0.1 0.849 92.2 70.8 -65.3 -38.9 10.1 57.2 25.4 75 93 A E T 4 S- 0 0 80 1,-0.3 -1,-0.2 222,-0.2 -2,-0.1 0.885 127.8 -4.7 -59.8 -42.8 12.3 59.8 23.6 76 94 A N T 4 S- 0 0 21 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.254 103.8-112.1-127.0 13.1 15.4 57.7 23.2 77 95 A G < - 0 0 1 -4,-1.1 -1,-0.3 23,-0.2 -3,-0.1 -0.067 33.2 -91.8 65.2 176.8 14.4 54.5 25.1 78 96 A V S S+ 0 0 0 216,-0.1 217,-2.4 -3,-0.1 -1,-0.1 0.561 95.3 96.8-105.3 -8.6 16.2 53.7 28.3 79 97 A I - 0 0 27 215,-0.2 215,-0.1 1,-0.1 3,-0.1 -0.680 56.9-161.9 -84.9 127.6 19.1 51.4 27.1 80 98 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 0.474 65.2 45.0 -95.5 4.0 22.2 53.7 26.7 81 99 A R + 0 0 16 -35,-0.1 2,-0.3 -69,-0.0 310,-0.2 -0.942 51.6 151.9-152.4 125.8 24.3 51.4 24.5 82 100 A F - 0 0 34 -37,-1.8 -35,-0.1 -2,-0.3 104,-0.1 -0.813 62.8 -58.8-123.0-178.4 23.8 49.3 21.3 83 101 A K > - 0 0 41 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.297 58.4-116.4 -56.4 141.5 26.1 48.3 18.5 84 102 A N T 3 S+ 0 0 50 1,-0.3 -38,-0.3 -39,-0.1 -40,-0.2 0.780 111.4 51.0 -60.5 -27.8 27.4 51.6 16.9 85 103 A D T 3 S+ 0 0 144 -40,-0.1 -1,-0.3 -42,-0.1 -2,-0.1 0.239 77.1 138.7 -94.3 12.9 25.7 50.9 13.6 86 104 A I < - 0 0 33 -3,-2.0 2,-0.2 1,-0.1 -4,-0.1 -0.303 57.4-114.3 -60.6 139.0 22.2 50.1 14.9 87 105 A A >> - 0 0 46 1,-0.1 3,-1.3 4,-0.0 4,-0.8 -0.484 19.2-122.2 -69.2 143.6 19.4 51.6 12.8 88 106 A R H >> S+ 0 0 94 1,-0.3 4,-2.5 2,-0.2 3,-1.3 0.883 111.2 61.6 -56.2 -38.4 17.3 54.3 14.6 89 107 A E H 3> S+ 0 0 140 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.817 98.9 55.6 -62.8 -27.2 14.1 52.2 14.0 90 108 A D H <4 S+ 0 0 42 -3,-1.3 -1,-0.3 2,-0.2 4,-0.2 0.701 108.8 47.3 -79.2 -19.7 15.6 49.4 16.1 91 109 A I H X< S+ 0 0 1 -3,-1.3 3,-1.3 -4,-0.8 -2,-0.2 0.880 113.0 49.5 -76.6 -42.4 16.1 51.8 19.0 92 110 A E H >< S+ 0 0 71 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.749 93.4 72.0 -72.8 -22.0 12.5 53.1 18.5 93 111 A V G >< S+ 0 0 79 -4,-1.6 3,-2.0 1,-0.3 -1,-0.3 0.795 82.1 75.0 -64.6 -21.4 10.8 49.7 18.4 94 112 A Q G X S+ 0 0 27 -3,-1.3 3,-2.0 1,-0.3 6,-0.5 0.737 75.6 80.2 -56.7 -24.1 11.6 49.5 22.2 95 113 A R G < S+ 0 0 45 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.584 74.6 74.9 -62.4 -13.4 8.7 52.0 22.5 96 114 A F G < S+ 0 0 120 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.3 0.625 88.0 69.1 -74.8 -13.2 6.2 49.0 22.2 97 115 A V S X S- 0 0 18 -3,-2.0 3,-2.0 -4,-0.1 142,-0.1 -0.829 91.8-118.8-107.2 152.3 7.0 47.9 25.8 98 116 A M G > S+ 0 0 20 -2,-0.3 3,-1.7 1,-0.3 12,-0.1 0.740 106.0 70.0 -62.4 -26.4 6.0 49.9 28.8 99 117 A L G 3 S+ 0 0 37 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.816 103.7 45.1 -58.9 -28.0 9.5 50.5 30.1 100 118 A N G < S+ 0 0 3 -3,-2.0 2,-0.3 -6,-0.5 -1,-0.3 -0.048 98.1 95.5-111.3 30.9 10.1 52.9 27.1 101 119 A M < - 0 0 27 -3,-1.7 2,-0.2 -5,-0.1 -28,-0.1 -0.883 55.8-153.5-116.2 152.7 6.7 54.8 27.3 102 120 A D > - 0 0 30 -2,-0.3 4,-2.6 -29,-0.1 3,-0.5 -0.664 43.7 -39.8-106.0 171.4 5.8 58.0 29.0 103 121 A A T 4 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.418 117.3 30.3 -60.6 143.7 2.5 59.2 30.4 104 122 A P T > S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 -0.988 128.8 37.5 -86.1 -19.3 -0.2 58.9 29.4 105 123 A H H > S+ 0 0 130 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.912 119.9 47.7 -61.2 -42.3 0.4 55.6 27.7 106 124 A H H X S+ 0 0 5 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.909 107.6 56.7 -60.8 -43.4 2.7 54.3 30.4 107 125 A T H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 108.0 46.6 -60.2 -44.4 0.4 55.3 33.2 108 126 A R H X S+ 0 0 75 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.935 114.9 46.3 -64.1 -47.4 -2.6 53.2 31.9 109 127 A L H X S+ 0 0 12 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.901 111.9 50.5 -66.3 -41.0 -0.4 50.2 31.3 110 128 A R H X S+ 0 0 57 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.905 109.6 50.6 -64.2 -39.4 1.3 50.3 34.7 111 129 A K H < S+ 0 0 82 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.885 114.6 44.1 -66.2 -40.4 -2.1 50.6 36.5 112 130 A I H >< S+ 0 0 4 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.966 116.0 45.8 -67.2 -47.4 -3.4 47.6 34.6 113 131 A I H >< S+ 0 0 4 -4,-2.8 3,-2.6 1,-0.3 4,-0.3 0.750 92.0 77.6 -69.9 -27.2 -0.3 45.4 35.0 114 132 A S G >< S+ 0 0 56 -4,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.806 82.3 72.8 -54.6 -26.8 0.2 46.2 38.7 115 133 A R G X S+ 0 0 40 -3,-1.3 3,-0.9 -4,-0.4 -1,-0.3 0.773 91.4 56.5 -52.2 -28.6 -2.7 43.6 39.1 116 134 A G G < S+ 0 0 0 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.554 104.8 51.6 -89.2 -4.4 -0.3 40.8 38.3 117 135 A F G < S+ 0 0 25 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 -0.013 75.7 136.0-124.3 28.5 2.1 41.8 41.0 118 136 A T S <> S- 0 0 55 -3,-0.9 4,-2.5 1,-0.1 5,-0.3 -0.257 70.5-105.1 -67.0 161.6 -0.2 41.9 44.0 119 137 A P H > S+ 0 0 122 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.908 124.5 48.7 -54.0 -42.0 0.9 40.3 47.3 120 138 A R H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.897 109.4 51.4 -67.0 -42.0 -1.4 37.4 46.6 121 139 A A H 4 S+ 0 0 13 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.902 115.7 40.1 -62.2 -46.1 -0.2 37.0 43.0 122 140 A V H >< S+ 0 0 14 -4,-2.5 3,-1.7 1,-0.2 4,-0.4 0.918 113.6 54.1 -70.8 -41.5 3.4 36.8 44.0 123 141 A G H >< S+ 0 0 42 -4,-2.5 3,-1.6 -5,-0.3 4,-0.5 0.838 96.8 66.4 -60.0 -31.4 2.8 34.7 47.1 124 142 A R T 3< S+ 0 0 116 -4,-1.9 4,-0.3 1,-0.3 -1,-0.3 0.720 100.6 51.2 -66.1 -17.1 0.9 32.1 45.1 125 143 A L T <> S+ 0 0 19 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.3 0.558 86.1 90.0 -89.8 -13.0 4.3 31.3 43.3 126 144 A H H <> S+ 0 0 60 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 0.909 84.7 45.9 -57.7 -51.6 6.3 30.8 46.5 127 145 A D H > S+ 0 0 101 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.919 115.0 46.4 -66.2 -40.2 5.8 27.1 47.1 128 146 A E H > S+ 0 0 68 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.936 114.8 47.5 -66.8 -41.7 6.5 26.0 43.5 129 147 A L H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.872 110.6 52.5 -65.5 -35.2 9.5 28.2 43.3 130 148 A Q H X S+ 0 0 81 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.948 112.1 45.4 -64.9 -46.2 10.8 26.9 46.7 131 149 A E H X S+ 0 0 127 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 114.3 48.6 -61.0 -45.5 10.5 23.3 45.4 132 150 A R H X S+ 0 0 55 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.904 110.0 51.8 -62.4 -40.5 12.1 24.2 42.1 133 151 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.914 107.4 53.3 -61.9 -41.9 15.0 26.0 43.9 134 152 A Q H X S+ 0 0 59 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.920 111.8 44.2 -60.4 -47.3 15.6 22.9 46.1 135 153 A K H X S+ 0 0 138 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.922 110.8 54.3 -67.7 -36.6 15.9 20.6 43.1 136 154 A I H X S+ 0 0 10 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.958 113.8 41.9 -59.1 -47.5 18.1 23.1 41.2 137 155 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.912 115.2 49.9 -71.4 -39.0 20.6 23.2 44.1 138 156 A A H X S+ 0 0 38 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.912 111.2 48.0 -64.2 -41.6 20.5 19.5 44.8 139 157 A E H X S+ 0 0 113 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.902 113.8 47.2 -64.6 -41.9 21.0 18.5 41.1 140 158 A A H >< S+ 0 0 4 -4,-2.3 3,-0.9 -5,-0.3 4,-0.5 0.959 111.8 50.5 -63.5 -49.2 24.0 21.0 40.8 141 159 A A H >< S+ 0 0 23 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.924 107.1 55.0 -57.7 -41.3 25.5 19.7 44.2 142 160 A A H 3< S+ 0 0 93 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.792 99.8 60.8 -64.0 -29.1 25.2 16.1 42.9 143 161 A A T << S- 0 0 57 -4,-1.2 2,-2.0 -3,-0.9 -1,-0.3 0.569 97.3-144.0 -71.1 -12.2 27.2 17.0 39.8 144 162 A G < + 0 0 20 -3,-1.8 259,-1.6 -4,-0.5 260,-1.0 -0.365 69.1 8.2 82.6 -62.5 30.2 18.0 42.0 145 163 A S E S+E 402 0B 47 -2,-2.0 2,-0.3 257,-0.3 257,-0.2 -0.978 74.9 120.9-147.7 158.0 31.4 20.9 39.9 146 164 A G E -E 401 0B 7 255,-2.2 255,-3.0 -2,-0.3 2,-0.9 -0.987 66.3 -38.8 172.2-171.8 30.2 22.9 37.0 147 165 A D E > -E 400 0B 11 -2,-0.3 4,-3.2 253,-0.2 5,-0.3 -0.742 43.7-159.1 -83.1 108.8 29.1 26.3 35.7 148 166 A F H >>S+ 0 0 0 251,-2.9 4,-2.2 -2,-0.9 5,-2.1 0.807 88.7 59.0 -56.3 -38.0 27.2 27.9 38.5 149 167 A V H 4>S+ 0 0 4 250,-0.3 5,-1.8 3,-0.2 -1,-0.2 0.964 115.6 32.9 -58.6 -51.6 25.5 30.4 36.0 150 168 A E H 45S+ 0 0 118 3,-0.2 5,-0.3 -3,-0.2 -2,-0.2 0.902 127.0 38.5 -71.4 -43.1 24.0 27.6 34.0 151 169 A Q H <5S+ 0 0 73 -4,-3.2 -11,-0.2 3,-0.1 -3,-0.2 0.688 134.2 13.2 -89.4 -17.5 23.4 25.0 36.8 152 170 A V T <5S+ 0 0 0 -4,-2.2 4,-0.5 -5,-0.3 -3,-0.2 0.713 127.3 39.5-121.7 -46.4 22.3 27.4 39.7 153 171 A S T S+ 0 0 78 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.874 97.8 58.9 -75.7 -41.9 16.6 28.4 35.8 156 174 A L H > S+ 0 0 0 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.911 103.5 51.4 -63.3 -42.9 14.7 29.9 38.7 157 175 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.910 113.0 48.8 -54.5 -42.2 14.2 33.4 37.2 158 176 A L H X S+ 0 0 4 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.934 110.4 48.7 -66.7 -39.6 12.8 31.7 34.1 159 177 A Q H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.829 107.2 57.3 -67.4 -27.3 10.4 29.5 36.2 160 178 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.930 110.2 43.8 -66.4 -43.8 9.3 32.6 38.1 161 179 A I H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.940 115.3 48.3 -64.3 -45.2 8.2 34.2 34.8 162 180 A A H X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.6 0.898 113.6 47.1 -63.4 -42.3 6.6 31.0 33.6 163 181 A G H ><5S+ 0 0 14 -4,-2.7 3,-0.8 3,-0.2 -1,-0.2 0.913 109.5 52.9 -65.6 -44.2 4.8 30.5 37.0 164 182 A L H 3<5S+ 0 0 3 -4,-2.5 53,-0.6 1,-0.3 54,-0.2 0.922 116.6 39.7 -57.9 -40.0 3.5 34.2 37.0 165 183 A L H 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.498 108.2-122.3 -88.5 -7.2 2.1 33.8 33.5 166 184 A G T <<5 - 0 0 33 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.873 40.8-177.0 64.4 42.6 0.7 30.2 34.0 167 185 A V < - 0 0 2 -5,-2.6 -1,-0.2 -6,-0.2 5,-0.1 -0.559 32.8-107.8 -75.5 126.8 2.8 28.9 31.1 168 186 A P >> - 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.213 24.9-119.7 -51.5 140.5 2.0 25.1 30.6 169 187 A Q G >4 S+ 0 0 105 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.881 113.1 57.9 -51.4 -38.7 4.9 22.9 31.7 170 188 A E G 34 S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.648 106.4 48.1 -70.9 -15.5 5.2 21.5 28.1 171 189 A D G <> S+ 0 0 29 -3,-2.0 4,-2.2 1,-0.1 -1,-0.3 0.421 87.1 88.6 -99.7 -3.8 5.8 25.0 26.7 172 190 A R H S+ 0 0 56 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.934 112.3 42.4 -56.1 -47.0 11.4 24.8 27.3 174 192 A K H > S+ 0 0 92 -4,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 114.0 51.6 -69.9 -37.7 10.5 26.8 24.2 175 193 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.907 111.6 48.3 -60.7 -41.7 9.6 30.0 26.2 176 194 A F H X S+ 0 0 26 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.898 108.6 53.1 -70.4 -35.2 13.0 29.7 28.0 177 195 A H H X S+ 0 0 108 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.951 112.6 43.9 -67.8 -42.4 14.9 29.3 24.7 178 196 A W H >X S+ 0 0 25 -4,-2.4 3,-1.3 1,-0.2 4,-0.6 0.938 113.3 51.7 -62.2 -48.8 13.2 32.5 23.2 179 197 A S H >X S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.3 4,-0.6 0.893 105.0 56.1 -58.4 -39.6 13.8 34.4 26.5 180 198 A N H 3< S+ 0 0 62 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.637 109.0 48.1 -73.4 -9.0 17.5 33.5 26.6 181 199 A E H << S+ 0 0 42 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.555 98.0 73.3 -99.0 1.5 18.0 35.0 23.1 182 200 A M H << + 0 0 11 -3,-1.5 2,-0.8 -4,-0.6 -2,-0.1 0.690 69.3 75.5-101.3 -24.2 16.2 38.3 23.6 183 201 A T S < S- 0 0 11 -4,-0.6 2,-0.0 61,-0.1 -1,-0.0 -0.806 82.0-137.8 -87.4 115.5 18.2 40.7 25.7 184 202 A G + 0 0 34 -2,-0.8 2,-0.3 2,-0.1 -2,-0.1 -0.354 29.2 170.3 -78.7 158.1 20.8 41.7 23.3 185 203 A N - 0 0 41 2,-0.1 205,-0.2 5,-0.1 -102,-0.1 -0.885 40.7-120.3-146.8-179.7 24.5 42.2 24.1 186 204 A E + 0 0 58 203,-2.1 204,-0.1 -2,-0.3 5,-0.1 -0.085 63.7 133.3-116.4 38.1 27.5 42.7 22.1 187 205 A D > - 0 0 4 1,-0.1 3,-1.9 202,-0.1 4,-0.3 -0.740 56.4-139.2 -96.1 138.7 29.3 39.6 23.2 188 206 A P G > S+ 0 0 98 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.779 100.2 68.0 -64.8 -23.6 31.1 37.4 20.7 189 207 A E G 3 S+ 0 0 69 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.755 114.4 29.4 -65.1 -23.3 29.8 34.3 22.4 190 208 A Y G X S+ 0 0 70 -3,-1.9 3,-2.2 1,-0.1 -1,-0.2 0.219 83.7 115.1-121.1 14.4 26.2 35.2 21.3 191 209 A A T < S+ 0 0 81 -3,-1.0 -2,-0.1 -4,-0.3 -1,-0.1 0.760 75.4 56.2 -59.4 -25.7 27.0 37.1 18.1 192 210 A H T 3 S+ 0 0 147 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.509 86.5 100.1 -85.5 -5.0 25.2 34.5 16.0 193 211 A I < - 0 0 42 -3,-2.2 -3,-0.1 1,-0.0 -12,-0.0 -0.606 63.1-147.9 -83.9 142.1 21.9 34.9 18.0 194 212 A D > - 0 0 87 -2,-0.3 4,-1.3 1,-0.1 3,-0.5 -0.845 10.9-173.0-109.9 95.8 19.1 36.9 16.5 195 213 A P H > S+ 0 0 44 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.833 81.5 61.4 -62.4 -26.5 17.1 38.6 19.4 196 214 A K H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 101.8 49.4 -61.3 -47.6 14.4 39.9 16.9 197 215 A A H > S+ 0 0 42 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.920 113.0 46.5 -63.2 -43.6 13.3 36.5 15.7 198 216 A S H X S+ 0 0 3 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.880 110.4 53.2 -65.4 -40.6 12.9 35.2 19.2 199 217 A S H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.922 109.6 49.7 -58.5 -43.8 11.0 38.3 20.3 200 218 A A H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 110.1 49.7 -63.2 -43.2 8.6 37.8 17.4 201 219 A E H X S+ 0 0 110 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.923 110.7 50.4 -62.9 -40.7 8.0 34.1 18.2 202 220 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.906 107.9 52.9 -66.1 -38.6 7.3 35.0 21.9 203 221 A I H X S+ 0 0 36 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.928 109.8 48.3 -60.2 -46.0 4.8 37.7 20.9 204 222 A G H X S+ 0 0 43 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.928 112.2 48.7 -57.7 -47.5 2.9 35.2 18.7 205 223 A Y H X S+ 0 0 15 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.902 113.6 47.2 -59.8 -42.6 2.9 32.7 21.5 206 224 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.899 107.8 53.9 -70.8 -39.9 1.7 35.3 24.1 207 225 A M H X S+ 0 0 66 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.918 111.1 47.6 -62.0 -39.0 -1.1 36.7 21.9 208 226 A K H X S+ 0 0 96 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.867 106.2 57.3 -66.6 -38.2 -2.4 33.2 21.5 209 227 A M H X S+ 0 0 9 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.895 108.6 47.8 -54.6 -44.2 -2.2 32.7 25.2 210 228 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.906 111.0 50.3 -64.7 -43.4 -4.5 35.7 25.6 211 229 A E H < S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.932 116.7 41.1 -59.0 -46.6 -6.9 34.3 23.0 212 230 A E H < S+ 0 0 83 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 109.9 54.6 -73.3 -40.4 -7.0 30.9 24.8 213 231 A K H < 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 360.0 360.0 -70.2 -20.3 -7.2 32.1 28.4 214 232 A A < 0 0 102 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.787 360.0 360.0 -61.6 360.0 -10.2 34.2 27.4 215 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 216 238 A D > 0 0 99 0, 0.0 4,-1.3 0, 0.0 -51,-0.1 0.000 360.0 360.0 360.0-113.5 -4.4 33.7 37.3 217 239 A I H > + 0 0 12 -53,-0.6 4,-2.1 1,-0.2 5,-0.2 0.791 360.0 64.8 -69.8 -28.8 -2.8 37.1 36.5 218 240 A V H > S+ 0 0 1 -54,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 101.3 46.9 -64.5 -44.8 -3.6 36.7 32.8 219 241 A T H > S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.914 110.8 53.6 -58.5 -46.1 -7.4 36.7 33.3 220 242 A Q H < S+ 0 0 50 -4,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.909 111.6 45.5 -57.8 -39.5 -7.1 39.8 35.5 221 243 A L H < S+ 0 0 0 -4,-2.1 10,-3.4 1,-0.2 -1,-0.2 0.784 114.5 44.9 -76.5 -30.1 -5.1 41.7 32.8 222 244 A I H < S+ 0 0 21 -4,-1.8 2,-0.3 8,-0.2 -1,-0.2 0.522 103.5 73.6 -97.5 -1.9 -7.2 40.9 29.8 223 245 A Q S < S- 0 0 116 -4,-1.2 8,-0.2 -3,-0.3 6,-0.1 -0.861 97.4 -89.4-107.4 146.3 -10.6 41.5 31.5 224 246 A A - 0 0 66 -2,-0.3 6,-0.2 4,-0.1 -2,-0.1 -0.244 45.5-148.7 -51.3 126.7 -12.0 45.0 32.3 225 247 A D > - 0 0 53 4,-1.9 3,-2.7 -4,-0.1 -1,-0.1 -0.192 40.3 -74.6 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