==== 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, TRANSFERASE 19-SEP-03 1R00 . COMPND 2 MOLECULE: ACLACINOMYCIN-10-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PURPURASCENS; . AUTHOR A.JANSSON,J.NIEMI,Y.LINDQVIST,P.MANTSALA,G.SCHNEIDER . 341 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.6 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 . 0 0.0 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 . 14 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 3 2 2 1 2 2 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 10 A L 0 0 226 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.3 -16.4 55.7 42.3 2 11 A E - 0 0 169 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.947 360.0-126.2-126.2 117.1 -17.1 55.6 38.6 3 12 A P - 0 0 98 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.398 26.5-143.2 -64.6 131.6 -14.8 54.3 35.8 4 13 A T > - 0 0 73 -2,-0.1 4,-1.3 1,-0.1 5,-0.1 -0.173 27.5-104.3 -80.5 177.8 -14.2 56.8 33.0 5 14 A D H > S+ 0 0 151 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.814 125.2 54.6 -70.8 -32.2 -13.8 56.0 29.3 6 15 A Q H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.777 103.4 56.5 -70.6 -29.9 -10.0 56.5 29.7 7 16 A D H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 108.5 45.2 -66.5 -46.1 -10.1 53.9 32.6 8 17 A L H X S+ 0 0 96 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.890 110.9 53.8 -67.6 -41.2 -11.7 51.2 30.3 9 18 A D H X S+ 0 0 71 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.912 108.6 48.6 -54.9 -49.5 -9.3 52.0 27.5 10 19 A V H X>S+ 0 0 72 -4,-1.8 4,-2.0 1,-0.2 5,-1.1 0.880 112.0 50.2 -61.3 -37.9 -6.2 51.5 29.7 11 20 A L H <>S+ 0 0 88 -4,-1.8 5,-2.0 3,-0.2 -1,-0.2 0.857 115.5 41.8 -70.0 -34.5 -7.6 48.2 31.0 12 21 A L H <5S+ 0 0 113 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.919 125.2 33.0 -78.4 -42.3 -8.3 46.9 27.5 13 22 A K H <5S+ 0 0 138 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.741 135.5 9.5 -87.1 -29.4 -5.1 48.1 25.9 14 23 A N T ><5S+ 0 0 103 -4,-2.0 3,-1.4 -5,-0.3 -3,-0.2 0.696 123.0 32.7-116.7 -82.3 -2.7 47.8 28.8 15 24 A L T 3 + 0 0 128 -2,-0.9 4,-0.8 1,-0.1 -1,-0.2 0.693 67.2 64.9 -89.6 -20.4 -2.6 39.5 27.3 19 28 A V H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.883 95.2 52.6 -73.1 -47.4 -2.4 39.5 23.5 20 29 A T H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 105.3 53.4 -61.2 -50.0 0.1 42.3 22.9 21 30 A P H > S+ 0 0 46 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.834 110.0 49.6 -56.5 -31.2 2.9 40.9 25.2 22 31 A M H X S+ 0 0 68 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.870 108.7 52.5 -74.4 -34.4 2.6 37.6 23.3 23 32 A A H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.889 110.5 48.0 -62.0 -40.0 2.9 39.4 20.0 24 33 A L H X S+ 0 0 26 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.903 110.5 51.6 -67.8 -43.1 6.1 41.2 21.3 25 34 A R H X S+ 0 0 32 -4,-2.0 4,-2.5 -5,-0.2 78,-0.4 0.930 111.9 46.3 -55.8 -44.3 7.4 37.8 22.5 26 35 A V H X S+ 0 0 49 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.868 110.7 52.6 -71.5 -35.7 6.8 36.4 19.0 27 36 A A H X>S+ 0 0 2 -4,-2.2 5,-1.9 2,-0.2 4,-0.6 0.922 112.1 45.8 -65.0 -44.3 8.4 39.4 17.3 28 37 A A H ><5S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.955 112.7 50.6 -59.9 -48.8 11.5 39.1 19.4 29 38 A T H 3<5S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.845 111.9 46.5 -60.7 -38.0 11.7 35.3 18.9 30 39 A L H 3<5S- 0 0 39 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.522 105.3-130.0 -82.6 -8.2 11.4 35.7 15.1 31 40 A R T < + 0 0 2 -5,-1.9 4,-1.8 1,-0.2 5,-0.2 0.875 67.4 51.2 -54.2 -47.9 11.6 40.5 13.1 33 42 A V H > S+ 0 0 2 -6,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.920 111.8 47.6 -62.8 -43.0 13.2 43.8 13.9 34 43 A D H > S+ 0 0 32 55,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.861 109.1 53.6 -63.4 -39.9 16.6 42.5 12.8 35 44 A H H <>S+ 0 0 54 -4,-2.4 5,-1.8 2,-0.2 -1,-0.2 0.831 109.1 48.8 -68.7 -30.0 15.3 41.0 9.6 36 45 A L H ><5S+ 0 0 14 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.894 111.1 49.4 -73.3 -38.9 13.7 44.4 8.6 37 46 A L H 3<5S+ 0 0 92 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.764 103.5 62.2 -69.7 -23.9 17.0 46.2 9.3 38 47 A A T 3<5S- 0 0 81 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.316 135.3 -79.0 -85.1 4.8 18.8 43.6 7.3 39 48 A G T < 5S+ 0 0 48 -3,-1.3 -3,-0.2 1,-0.4 -2,-0.1 0.021 90.0 127.7 126.5 -27.9 16.9 44.6 4.1 40 49 A A < + 0 0 1 -5,-1.8 -1,-0.4 1,-0.1 3,-0.1 -0.386 15.1 152.4 -61.4 132.9 13.5 42.9 4.4 41 50 A D + 0 0 78 1,-0.1 39,-1.9 -2,-0.1 2,-0.3 0.237 48.4 74.6-149.6 14.9 10.6 45.4 4.0 42 51 A T S > S- 0 0 79 37,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.968 80.4-121.1-127.0 146.0 7.7 43.4 2.6 43 52 A L H > S+ 0 0 62 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.860 115.6 47.6 -49.5 -41.2 5.4 41.0 4.5 44 53 A A H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.767 108.9 53.8 -81.0 -24.6 6.4 38.1 2.2 45 54 A G H > S+ 0 0 4 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.983 112.8 43.7 -60.5 -60.2 10.1 39.0 2.4 46 55 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.843 114.0 50.0 -49.6 -44.5 9.8 38.8 6.2 47 56 A A H X>S+ 0 0 5 -4,-2.4 5,-1.3 -5,-0.2 4,-1.2 0.903 109.6 52.5 -67.8 -40.1 7.7 35.6 6.0 48 57 A D H ><5S+ 0 0 112 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.939 112.4 44.5 -55.4 -52.9 10.3 34.1 3.7 49 58 A R H 3<5S+ 0 0 130 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.801 120.4 39.9 -65.5 -29.8 13.1 34.9 6.2 50 59 A T H 3<5S- 0 0 20 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.486 99.0-125.9-102.3 0.0 11.2 33.6 9.2 51 60 A D T <<5 + 0 0 153 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.919 63.0 142.5 49.1 48.4 9.5 30.5 7.8 52 61 A T < - 0 0 37 -5,-1.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.768 64.6 -89.3-113.8 159.7 6.1 31.8 9.0 53 62 A H > - 0 0 125 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.588 37.0-142.8 -65.3 115.1 2.6 31.7 7.5 54 63 A P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.906 97.2 45.8 -50.3 -52.0 2.4 34.8 5.4 55 64 A Q H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.907 114.8 46.9 -61.1 -45.2 -1.2 35.6 6.2 56 65 A A H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 111.5 51.8 -66.6 -35.7 -0.8 35.0 9.9 57 66 A L H X S+ 0 0 5 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.906 106.0 54.8 -63.6 -42.2 2.4 37.1 10.0 58 67 A S H X S+ 0 0 28 -4,-2.2 4,-3.3 -5,-0.2 -1,-0.2 0.907 108.8 49.2 -56.0 -42.8 0.5 40.0 8.2 59 68 A R H X S+ 0 0 139 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.822 112.1 46.4 -71.1 -32.1 -2.0 39.8 11.0 60 69 A L H X S+ 0 0 35 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.837 114.6 48.6 -72.1 -38.2 0.7 39.9 13.7 61 70 A V H X S+ 0 0 12 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.935 106.0 57.0 -69.3 -46.8 2.4 42.8 11.9 62 71 A R H X S+ 0 0 131 -4,-3.3 4,-2.1 1,-0.2 3,-0.4 0.935 112.0 43.5 -42.8 -54.2 -0.9 44.6 11.6 63 72 A H H X S+ 0 0 55 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.916 110.4 52.5 -66.8 -42.9 -1.1 44.4 15.3 64 73 A L H <>S+ 0 0 1 -4,-2.4 5,-2.5 2,-0.2 6,-1.7 0.780 109.7 53.0 -61.4 -24.9 2.5 45.3 16.0 65 74 A T H ><5S+ 0 0 48 -4,-2.1 3,-1.5 -3,-0.4 -2,-0.2 0.955 107.8 48.1 -76.6 -54.6 1.9 48.4 13.8 66 75 A V H 3<5S+ 0 0 125 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 112.0 50.8 -43.3 -49.0 -1.1 49.6 15.7 67 76 A V T 3<5S- 0 0 58 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.426 119.5-108.7 -85.6 3.5 0.7 49.2 19.0 68 77 A G T < 5S+ 0 0 28 -3,-1.5 18,-0.5 2,-0.3 17,-0.3 0.608 90.4 107.4 90.5 14.6 3.7 51.2 17.8 69 78 A V S - 0 0 19 -14,-2.1 4,-1.4 -2,-0.2 -12,-0.1 -0.273 35.5 -92.7 -79.7 177.7 9.6 52.4 15.1 84 93 A R T >4 S+ 0 0 231 2,-0.2 3,-0.5 1,-0.2 4,-0.1 0.941 133.0 45.3 -54.6 -51.9 11.8 54.2 17.6 85 94 A L G >4 S+ 0 0 89 -17,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.952 108.6 57.3 -53.1 -53.9 10.2 52.0 20.3 86 95 A G G >4 S+ 0 0 0 -18,-0.5 3,-2.2 1,-0.3 -1,-0.2 0.688 85.8 76.6 -57.9 -25.8 10.6 48.9 18.1 87 96 A M G X< S+ 0 0 74 -4,-1.4 3,-0.7 -3,-0.5 -1,-0.3 0.510 76.4 80.1 -64.3 -5.2 14.4 49.3 17.9 88 97 A L G < S+ 0 0 60 -3,-1.9 10,-0.7 1,-0.2 9,-0.5 0.786 87.2 56.9 -69.7 -28.4 14.4 47.9 21.4 89 98 A L G < S+ 0 0 8 -3,-2.2 -55,-0.3 8,-0.2 -1,-0.2 0.433 79.6 114.6 -82.8 -2.5 14.0 44.5 19.8 90 99 A A S X S- 0 0 15 -3,-0.7 3,-1.1 -57,-0.2 8,-0.4 -0.402 77.3-117.7 -61.9 150.5 17.2 44.8 17.7 91 100 A D T 3 S+ 0 0 89 1,-0.3 8,-0.2 7,-0.1 -1,-0.1 0.887 106.6 45.9 -64.0 -43.6 19.8 42.3 18.7 92 101 A G T 3 S+ 0 0 74 6,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.437 75.0 127.0 -83.2 1.0 22.5 44.7 19.8 93 102 A H X - 0 0 72 -3,-1.1 3,-2.1 1,-0.1 5,-0.2 -0.396 62.6-132.6 -64.1 130.7 20.4 47.1 21.9 94 103 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.699 103.0 64.4 -59.5 -24.2 22.0 47.4 25.4 95 104 A A T 3 S- 0 0 45 -7,-0.1 5,-0.1 1,-0.0 -2,-0.1 0.561 95.5-145.2 -75.6 -11.4 18.7 46.9 27.3 96 105 A Q <> + 0 0 85 -3,-2.1 4,-1.7 1,-0.1 3,-0.3 0.749 43.8 152.1 59.9 31.8 18.7 43.4 25.7 97 106 A Q H > + 0 0 70 -9,-0.5 4,-2.3 1,-0.2 5,-0.2 0.815 66.2 60.9 -69.8 -27.6 14.9 43.4 25.3 98 107 A R H > S+ 0 0 16 -10,-0.7 4,-0.9 -8,-0.4 -1,-0.2 0.940 108.9 43.9 -59.2 -45.8 15.0 41.0 22.4 99 108 A A H 4 S+ 0 0 33 -3,-0.3 9,-0.3 2,-0.2 -2,-0.2 0.796 110.9 54.2 -70.4 -31.5 16.7 38.4 24.6 100 109 A W H < S+ 0 0 65 -4,-1.7 8,-0.4 1,-0.2 -1,-0.2 0.904 115.8 38.8 -64.0 -44.2 14.2 39.1 27.5 101 110 A L H < S+ 0 0 21 -4,-2.3 -72,-0.3 -5,-0.1 2,-0.2 0.580 87.4 120.7 -83.1 -12.7 11.3 38.5 25.3 102 111 A D >< - 0 0 16 -4,-0.9 3,-0.9 -5,-0.2 6,-0.5 -0.366 54.1-153.2 -65.6 121.9 12.9 35.6 23.4 103 112 A L T 3 S+ 0 0 39 -78,-0.4 -1,-0.2 1,-0.3 9,-0.1 0.675 96.8 59.8 -74.6 -21.6 10.8 32.4 23.8 104 113 A N T 3 S+ 0 0 114 4,-0.0 -1,-0.3 5,-0.0 45,-0.1 0.758 97.5 83.5 -66.3 -33.1 13.8 30.3 23.3 105 114 A G S <> S- 0 0 4 -3,-0.9 4,-1.8 -6,-0.1 41,-0.1 -0.287 89.3-116.4 -73.7 163.6 15.2 32.1 26.4 106 115 A A H > S+ 0 0 0 40,-0.4 4,-2.6 39,-0.3 5,-0.2 0.883 105.7 49.4 -71.1 -46.0 14.5 31.2 30.0 107 116 A V H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 115.9 41.7 -64.6 -50.7 12.7 34.3 31.3 108 117 A S H > S+ 0 0 0 -6,-0.5 4,-1.0 -8,-0.4 -1,-0.2 0.938 114.5 52.5 -63.1 -45.3 10.2 34.5 28.4 109 118 A H H >< S+ 0 0 42 -4,-1.8 3,-0.6 -7,-0.5 4,-0.3 0.919 113.3 44.3 -54.2 -45.9 9.7 30.7 28.5 110 119 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.773 102.1 67.0 -69.4 -29.0 9.0 30.8 32.2 111 120 A D H >< S+ 0 0 14 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.756 88.2 67.5 -63.7 -28.8 6.7 33.9 31.8 112 121 A L G X< S+ 0 0 31 -4,-1.0 3,-1.8 -3,-0.6 -1,-0.3 0.773 85.3 71.0 -59.9 -29.4 4.3 31.6 29.9 113 122 A A G X S+ 0 0 1 -3,-1.3 3,-2.2 -4,-0.3 -1,-0.3 0.573 73.6 86.5 -62.2 -13.0 3.7 29.8 33.3 114 123 A F G X + 0 0 54 -3,-1.7 3,-1.8 1,-0.3 -1,-0.3 0.702 68.8 78.2 -65.7 -16.8 1.9 32.9 34.3 115 124 A T G < S+ 0 0 109 -3,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.730 92.2 52.6 -58.2 -22.2 -1.2 31.3 32.7 116 125 A G G X> S+ 0 0 26 -3,-2.2 4,-1.3 1,-0.2 3,-0.6 0.103 72.9 116.5-100.8 23.7 -1.3 29.2 35.9 117 126 A L H <> + 0 0 54 -3,-1.8 4,-2.2 1,-0.3 5,-0.2 0.738 65.7 65.3 -64.4 -28.8 -1.3 32.3 38.2 118 127 A L H 3> S+ 0 0 108 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.939 106.1 43.8 -55.9 -46.4 -4.7 31.5 39.6 119 128 A D H <> S+ 0 0 95 -3,-0.6 4,-3.0 1,-0.2 6,-0.5 0.851 109.5 57.2 -67.8 -37.1 -3.3 28.3 41.1 120 129 A V H X S+ 0 0 1 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.854 109.8 43.9 -63.7 -37.3 -0.2 30.2 42.3 121 130 A V H < S+ 0 0 111 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.888 116.8 48.2 -76.8 -32.7 -2.4 32.6 44.3 122 131 A R H < S+ 0 0 184 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.925 129.6 17.0 -70.2 -47.4 -4.5 29.8 45.6 123 132 A T H < S- 0 0 83 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.593 90.3-127.8-104.8 -17.3 -1.8 27.4 46.7 124 133 A G < + 0 0 41 -4,-1.5 -4,-0.2 -5,-0.4 -3,-0.1 0.584 68.4 129.4 69.9 12.7 1.3 29.6 46.9 125 134 A R - 0 0 186 -6,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.704 64.5-101.0-100.5 151.5 3.1 27.1 44.7 126 135 A P - 0 0 47 0, 0.0 4,-0.3 0, 0.0 169,-0.2 -0.349 17.3-150.6 -70.8 147.2 5.1 27.8 41.5 127 136 A A S > S+ 0 0 15 168,-1.5 4,-1.5 1,-0.1 5,-0.2 0.581 75.8 90.7 -91.2 -14.7 3.5 27.1 38.1 128 137 A Y H >> S+ 0 0 1 167,-1.3 4,-2.4 1,-0.2 3,-0.5 0.897 87.9 45.9 -51.7 -52.3 6.7 26.3 36.2 129 138 A A H 3> S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 107.9 56.5 -59.0 -45.0 6.6 22.6 36.8 130 139 A G H 34 S+ 0 0 80 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.9 39.8 -59.8 -31.6 2.9 22.2 36.0 131 140 A R H << S+ 0 0 121 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.885 129.5 24.3 -82.9 -41.4 3.6 23.8 32.6 132 141 A Y H < S- 0 0 56 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.604 99.7-112.9-110.9 -12.8 7.0 22.1 31.6 133 142 A G S < S+ 0 0 69 -4,-2.9 -4,-0.1 -5,-0.3 -3,-0.1 0.095 91.0 51.8 105.5 -24.5 7.2 18.8 33.6 134 143 A R S S- 0 0 103 -6,-0.2 -2,-0.2 -5,-0.0 -3,-0.1 -0.979 92.0 -91.2-136.2 155.5 10.1 19.7 36.0 135 144 A P > - 0 0 59 0, 0.0 4,-2.9 0, 0.0 3,-0.2 -0.165 47.6 -97.9 -62.9 160.7 10.8 22.6 38.4 136 145 A F H > S+ 0 0 3 160,-0.6 4,-2.7 1,-0.2 5,-0.2 0.835 118.8 41.6 -53.9 -51.5 12.7 25.7 37.1 137 146 A W H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 115.4 50.6 -68.9 -36.4 16.3 24.9 38.4 138 147 A E H > S+ 0 0 108 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.925 111.6 50.3 -64.2 -39.8 16.0 21.2 37.4 139 148 A D H X S+ 0 0 14 -4,-2.9 4,-1.3 1,-0.2 3,-0.3 0.949 112.8 44.8 -62.7 -47.5 14.8 22.4 33.9 140 149 A L H < S+ 0 0 4 -4,-2.7 7,-0.5 1,-0.2 3,-0.3 0.892 107.7 59.4 -63.8 -42.5 17.8 24.8 33.6 141 150 A S H < S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 113.2 37.0 -49.1 -44.8 20.3 22.2 34.8 142 151 A A H < S+ 0 0 66 -4,-1.5 2,-0.6 -3,-0.3 -1,-0.2 0.644 113.9 57.9 -89.0 -19.4 19.4 19.8 32.0 143 152 A D >X - 0 0 67 -4,-1.3 4,-1.7 -3,-0.3 3,-0.6 -0.879 62.5-170.1-121.7 99.5 18.9 22.4 29.2 144 153 A V H 3> S+ 0 0 87 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.778 82.9 59.1 -63.8 -31.4 22.0 24.5 28.7 145 154 A A H 3> S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -39,-0.3 0.875 108.5 45.9 -66.8 -38.3 20.3 27.0 26.3 146 155 A L H <> S+ 0 0 12 -3,-0.6 4,-1.9 2,-0.2 -40,-0.4 0.888 114.2 48.5 -67.4 -40.0 17.8 27.9 29.0 147 156 A A H X S+ 0 0 1 -4,-1.7 4,-2.6 -7,-0.5 -2,-0.2 0.924 114.5 43.9 -73.2 -39.8 20.5 28.2 31.7 148 157 A D H X S+ 0 0 72 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.862 113.4 50.6 -74.1 -32.6 22.8 30.3 29.6 149 158 A S H X S+ 0 0 30 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.855 112.9 48.1 -70.8 -33.5 20.0 32.6 28.4 150 159 A F H >X S+ 0 0 27 -4,-1.9 3,-0.7 1,-0.2 4,-0.7 0.955 114.1 45.3 -67.0 -51.5 18.9 33.0 32.1 151 160 A D H >< S+ 0 0 34 -4,-2.6 3,-1.2 1,-0.2 6,-0.4 0.874 104.2 62.6 -57.5 -40.2 22.4 33.8 33.3 152 161 A A H 3< S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 103.6 49.4 -62.8 -28.5 23.2 36.2 30.5 153 162 A L H << S+ 0 0 20 -4,-0.7 2,-0.4 -3,-0.7 -1,-0.3 0.640 94.6 89.7 -85.6 -20.6 20.4 38.5 31.6 154 163 A M S X< S- 0 0 55 -3,-1.2 3,-1.5 -4,-0.7 4,-0.2 -0.698 71.0-144.2 -80.3 128.5 21.6 38.5 35.3 155 164 A S G > S+ 0 0 26 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.642 98.7 71.5 -62.2 -18.2 24.1 41.2 36.4 156 165 A C G 3 S+ 0 0 17 1,-0.2 -1,-0.3 -5,-0.1 5,-0.2 0.751 86.8 65.9 -69.3 -24.2 25.6 38.5 38.7 157 166 A D G < S+ 0 0 60 -3,-1.5 -1,-0.2 -6,-0.4 -2,-0.2 0.675 81.5 108.1 -66.3 -20.5 26.9 36.8 35.5 158 167 A E S X S- 0 0 111 -3,-0.9 3,-1.2 -4,-0.2 4,-0.2 -0.077 82.4-104.9 -68.2 166.7 29.3 39.8 34.8 159 168 A D T 3 S+ 0 0 143 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.839 112.6 23.4 -63.3 -47.3 33.0 39.6 35.2 160 169 A L T > S+ 0 0 111 1,-0.2 3,-1.1 2,-0.1 4,-0.5 -0.066 85.3 121.3-110.4 27.3 33.7 41.6 38.4 161 170 A A T < S+ 0 0 2 -3,-1.2 3,-0.2 1,-0.3 -1,-0.2 0.776 77.7 42.0 -70.3 -27.5 30.2 41.1 39.9 162 171 A Y T 3> S+ 0 0 15 -4,-0.2 4,-1.8 -3,-0.2 -1,-0.3 0.381 87.4 94.2 -99.9 3.5 31.4 39.3 43.0 163 172 A E H <> S+ 0 0 73 -3,-1.1 4,-1.0 1,-0.2 -1,-0.1 0.923 85.4 48.0 -63.8 -45.1 34.4 41.6 43.8 164 173 A A H > S+ 0 0 25 -4,-0.5 4,-1.5 2,-0.2 3,-0.4 0.916 113.7 42.6 -65.6 -51.8 32.5 43.9 46.1 165 174 A P H 4 S+ 0 0 2 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.912 113.2 55.1 -60.4 -39.1 30.8 41.3 48.4 166 175 A A H < S+ 0 0 1 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.769 109.7 48.0 -61.4 -26.5 34.1 39.4 48.4 167 176 A D H < S+ 0 0 109 -4,-1.0 -1,-0.2 -3,-0.4 -3,-0.1 0.732 99.9 66.0 -85.1 -27.8 35.7 42.6 49.7 168 177 A A S < S+ 0 0 31 -4,-1.5 2,-0.4 -3,-0.2 -1,-0.2 0.353 98.8 60.7 -76.4 4.4 33.1 43.3 52.4 169 178 A Y S S- 0 0 22 -3,-0.4 2,-0.8 -4,-0.2 -1,-0.1 -0.980 80.0-126.5-142.3 127.1 34.2 40.1 54.4 170 179 A D + 0 0 118 -2,-0.4 3,-0.3 1,-0.1 -3,-0.1 -0.596 31.5 169.0 -72.4 104.0 37.5 39.1 56.0 171 180 A W + 0 0 10 -2,-0.8 3,-0.3 -5,-0.2 -1,-0.1 0.180 44.6 107.3 -95.1 10.7 38.3 35.6 54.6 172 181 A S S S+ 0 0 89 1,-0.2 -1,-0.2 24,-0.0 25,-0.1 0.783 87.0 30.4 -73.2 -28.4 41.9 35.5 56.0 173 182 A A S S+ 0 0 80 -3,-0.3 2,-0.5 24,-0.0 -1,-0.2 0.413 90.4 114.7-107.6 -4.1 41.3 32.9 58.8 174 183 A V - 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