==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-MAY-11 3RWL . COMPND 2 MOLECULE: CYTOCHROME P450 ALKANE HYDROXYLASE 1 CYP153A7; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOPYXIS MACROGOLTABIDA; . AUTHOR G.POMPIDOR . 404 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 72.0 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 . 31 7.7 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 . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 38.6 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 1 0 3 1 1 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 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 1 3 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 . 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 6 A Q 0 0 152 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.5 56.1 -16.4 7.8 2 7 A S - 0 0 71 1,-0.1 2,-0.6 9,-0.1 3,-0.1 -0.159 360.0 -97.5 -56.6 155.2 58.0 -18.1 4.9 3 8 A A >> - 0 0 61 1,-0.2 4,-2.1 2,-0.0 3,-1.2 -0.717 27.1-151.0 -80.0 116.5 58.2 -16.3 1.4 4 9 A A T 34 S+ 0 0 9 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.838 89.7 64.6 -56.1 -37.0 55.4 -17.8 -0.8 5 10 A A T 34 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.777 121.7 11.0 -65.1 -27.3 57.5 -17.2 -4.0 6 11 A T T <4 S+ 0 0 114 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.517 92.3 115.3-132.1 -7.7 60.3 -19.6 -3.1 7 12 A M S < S- 0 0 16 -4,-2.1 5,-0.1 1,-0.1 2,-0.0 -0.168 80.1 -77.6 -68.9 163.9 59.4 -21.8 -0.1 8 13 A P > - 0 0 91 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.327 37.5-132.3 -59.5 136.1 59.1 -25.5 -0.5 9 14 A L G > S+ 0 0 45 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.894 104.6 60.0 -57.6 -37.8 55.7 -26.4 -2.0 10 15 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 31,-0.1 32,-0.2 0.624 98.4 57.9 -74.2 -4.3 55.0 -29.0 0.6 11 16 A S G < S+ 0 0 73 -3,-1.7 2,-0.7 30,-0.1 -1,-0.3 0.296 78.9 109.3 -92.1 -2.9 55.2 -26.4 3.4 12 17 A I < + 0 0 2 -3,-1.9 2,-0.5 -4,-0.1 -3,-0.0 -0.760 39.2 174.4 -84.0 116.6 52.4 -24.3 2.0 13 18 A D > - 0 0 30 -2,-0.7 3,-1.0 1,-0.1 15,-0.0 -0.905 6.4-179.0-120.0 93.3 49.3 -24.5 4.1 14 19 A V T 3 + 0 0 1 -2,-0.5 -1,-0.1 1,-0.2 15,-0.1 0.497 70.0 76.9 -70.4 -5.9 46.7 -22.0 2.7 15 20 A S T 3 + 0 0 0 4,-0.0 -1,-0.2 64,-0.0 376,-0.1 0.500 59.7 119.6 -83.7 -6.6 44.1 -22.9 5.4 16 21 A I X> - 0 0 74 -3,-1.0 3,-1.4 1,-0.2 4,-0.6 -0.473 57.5-150.5 -65.7 114.4 45.8 -20.8 8.0 17 22 A P H >> S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 3,-1.5 0.850 91.4 67.4 -61.2 -32.5 43.2 -18.2 9.0 18 23 A E H 3> S+ 0 0 78 1,-0.3 4,-2.7 2,-0.2 6,-0.2 0.835 93.8 60.4 -52.7 -33.9 45.9 -15.7 10.0 19 24 A L H <4>S+ 0 0 10 -3,-1.4 6,-2.1 1,-0.2 5,-1.3 0.800 108.2 42.2 -67.8 -29.0 46.8 -15.5 6.3 20 25 A F H X<5S+ 0 0 8 -3,-1.5 3,-1.0 -4,-0.6 -2,-0.2 0.875 112.0 56.5 -76.8 -42.1 43.3 -14.3 5.4 21 26 A Y H 3<5S+ 0 0 52 -4,-2.4 366,-0.4 1,-0.3 -2,-0.2 0.898 116.9 33.3 -56.3 -45.3 43.4 -12.0 8.5 22 27 A N T 3<5S- 0 0 65 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.359 108.8-127.1 -96.8 7.3 46.6 -10.2 7.3 23 28 A D T < 5S+ 0 0 56 -3,-1.0 -3,-0.2 -5,-0.2 3,-0.1 0.720 76.6 117.4 50.7 35.0 45.5 -10.7 3.6 24 29 A S >>< + 0 0 24 -5,-1.3 3,-1.7 -6,-0.2 4,-0.7 0.455 45.1 93.5 -95.1 -11.5 48.8 -12.4 2.5 25 30 A V H >> S+ 0 0 0 -6,-2.1 4,-2.0 1,-0.3 3,-0.9 0.858 72.5 69.6 -58.6 -29.7 47.1 -15.6 1.5 26 31 A G H 3> S+ 0 0 14 1,-0.3 4,-2.2 -7,-0.2 -1,-0.3 0.808 93.1 57.3 -55.4 -34.1 46.8 -14.4 -2.1 27 32 A E H <> S+ 0 0 99 -3,-1.7 4,-1.6 2,-0.2 -1,-0.3 0.879 107.0 47.5 -64.8 -39.4 50.6 -14.7 -2.5 28 33 A Y H - 0 0 20 -2,-0.3 3,-1.6 -3,-0.1 -31,-0.0 -0.960 67.4 -86.0-154.0-178.4 47.0 -29.1 8.9 45 50 A A T 3 S+ 0 0 93 -2,-0.3 -1,-0.0 1,-0.3 -29,-0.0 0.679 131.7 43.3 -65.5 -18.0 44.8 -27.8 11.6 46 51 A F T 3 S- 0 0 35 1,-0.5 -1,-0.3 34,-0.1 35,-0.2 0.298 120.4-106.5-105.2 3.1 41.9 -29.3 9.6 47 52 A G < - 0 0 23 -3,-1.6 -1,-0.5 33,-0.1 -4,-0.2 -0.384 63.3 -30.4 92.8-175.7 43.6 -32.5 8.6 48 53 A P S S+ 0 0 62 0, 0.0 266,-0.4 0, 0.0 2,-0.3 -0.431 71.6 160.5 -74.2 149.3 45.0 -33.4 5.1 49 54 A Y E -A 41 0A 1 -8,-2.2 -8,-2.7 -2,-0.1 2,-0.4 -0.980 38.0-115.3-163.6 154.7 43.3 -31.8 2.1 50 55 A W E -Ab 40 315A 20 264,-2.9 266,-3.0 -2,-0.3 2,-0.6 -0.769 23.7-147.3 -90.9 139.5 43.6 -30.9 -1.6 51 56 A S E -Ab 39 316A 0 -12,-2.7 -12,-2.4 -2,-0.4 2,-0.7 -0.955 4.8-159.7-107.2 118.9 43.6 -27.3 -2.7 52 57 A I E +Ab 38 317A 0 264,-3.3 266,-2.3 -2,-0.6 270,-0.2 -0.911 19.9 167.8-101.5 117.1 42.0 -26.6 -6.0 53 58 A T + 0 0 0 -16,-1.8 2,-0.3 -2,-0.7 -20,-0.1 0.573 42.3 80.0-116.3 -12.0 43.4 -23.3 -7.1 54 59 A K S > S- 0 0 26 -17,-0.3 4,-2.1 1,-0.1 268,-0.2 -0.755 74.8-124.0-112.9 148.1 42.5 -22.8 -10.8 55 60 A Y H > S+ 0 0 11 267,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.901 107.5 42.6 -57.1 -52.2 39.2 -21.6 -12.3 56 61 A N H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 115.0 49.8 -69.3 -36.9 38.5 -24.5 -14.7 57 62 A D H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 110.0 51.2 -63.3 -43.9 39.6 -27.2 -12.2 58 63 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.936 109.7 50.0 -61.6 -47.6 37.3 -25.7 -9.5 59 64 A M H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.892 107.3 55.6 -54.8 -41.3 34.3 -25.7 -11.9 60 65 A H H X S+ 0 0 69 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.952 111.9 42.5 -57.2 -49.8 35.1 -29.4 -12.7 61 66 A V H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 7,-0.3 0.950 115.1 48.5 -59.2 -51.0 34.9 -30.2 -8.9 62 67 A D H 3< S+ 0 0 3 -4,-2.6 290,-0.3 1,-0.2 291,-0.3 0.865 114.9 45.3 -62.6 -39.3 31.8 -28.1 -8.2 63 68 A T H 3< S+ 0 0 60 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 0.470 101.0 72.1 -88.6 -2.3 29.9 -29.5 -11.3 64 69 A N XX + 0 0 50 -3,-0.9 4,-2.7 -4,-0.7 3,-1.5 -0.526 51.8 153.2-111.4 68.0 30.8 -33.2 -10.5 65 70 A H T 34 + 0 0 29 -2,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.704 65.6 67.0 -68.1 -24.0 28.7 -33.9 -7.5 66 71 A D T 34 S+ 0 0 121 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.663 116.1 28.3 -71.9 -13.9 28.6 -37.6 -8.2 67 72 A I T <4 S+ 0 0 41 -3,-1.5 232,-2.9 1,-0.2 2,-0.7 0.703 124.9 46.8-106.4 -39.1 32.4 -37.7 -7.5 68 73 A F E < S-C 298 0A 0 -4,-2.7 -1,-0.2 -7,-0.3 230,-0.2 -0.888 82.7-157.7-114.3 101.3 32.8 -34.8 -5.0 69 74 A S E -C 297 0A 0 228,-2.8 228,-1.8 -2,-0.7 -3,-0.1 -0.507 24.8-164.1 -88.6 149.2 30.1 -35.0 -2.4 70 75 A S + 0 0 0 226,-0.2 -1,-0.1 -2,-0.2 5,-0.1 0.348 43.1 142.7-101.0 -0.2 28.6 -32.2 -0.2 71 76 A D > > - 0 0 57 226,-0.1 5,-1.8 1,-0.1 3,-1.8 -0.151 54.9-137.5 -63.6 134.7 26.9 -34.7 2.3 72 77 A A G > 5S+ 0 0 63 20,-2.3 3,-1.4 1,-0.3 10,-0.2 0.784 101.7 70.4 -52.6 -29.4 27.0 -33.7 6.0 73 78 A G G 3 5S+ 0 0 68 1,-0.3 -1,-0.3 19,-0.2 -2,-0.1 0.751 100.0 45.7 -64.9 -26.3 27.8 -37.4 6.7 74 79 A Y G < 5S- 0 0 117 -3,-1.8 -1,-0.3 223,-0.1 -2,-0.2 0.418 139.2 -78.5 -95.4 -0.3 31.3 -36.9 5.2 75 80 A G T < 5 - 0 0 14 -3,-1.4 7,-1.4 -4,-0.3 3,-0.5 0.274 66.1-117.0 117.4 -4.8 31.9 -33.6 7.1 76 81 A G < - 0 0 8 -5,-1.8 -5,-0.1 1,-0.2 5,-0.1 -0.540 52.5 -40.7 80.8-141.7 29.8 -31.2 4.9 77 82 A I S S+ 0 0 19 -2,-0.2 218,-2.3 3,-0.1 2,-0.3 0.221 103.1 76.2-124.3 10.7 31.0 -28.3 3.0 78 83 A I S S- 0 0 40 -3,-0.5 4,-0.1 2,-0.3 216,-0.1 -0.888 83.0-114.7-115.2 158.3 33.7 -26.3 4.9 79 84 A I S S+ 0 0 0 -2,-0.3 2,-0.7 2,-0.1 -1,-0.1 0.840 105.0 74.5 -58.8 -33.2 37.3 -27.4 5.3 80 85 A D S S- 0 0 96 1,-0.1 -2,-0.3 -3,-0.0 -3,-0.1 -0.727 98.9-116.2 -83.4 110.8 36.6 -27.8 9.0 81 86 A D - 0 0 80 -2,-0.7 -5,-0.1 -35,-0.2 -6,-0.1 -0.200 33.7-118.8 -49.5 134.9 34.5 -31.0 9.5 82 87 A G 0 0 57 -7,-1.4 -1,-0.1 -10,-0.2 -6,-0.1 -0.175 360.0 360.0 -74.0 174.8 30.9 -30.2 10.9 83 88 A I 0 0 210 -8,-0.0 -1,-0.1 0, 0.0 -8,-0.0 0.734 360.0 360.0 -87.6 360.0 29.3 -31.5 14.3 84 ! 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 85 96 A L 0 0 74 0, 0.0 2,-0.8 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 104.3 18.0 -29.8 17.0 86 97 A D + 0 0 162 2,-0.0 146,-0.0 3,-0.0 3,-0.0 -0.850 360.0 169.6-116.5 93.3 18.5 -31.9 13.8 87 98 A L - 0 0 45 -2,-0.8 146,-0.1 148,-0.1 2,-0.1 -0.847 40.4-104.0-112.5 141.4 17.4 -29.8 10.9 88 99 A P - 0 0 18 0, 0.0 2,-0.6 0, 0.0 5,-0.1 -0.407 29.9-162.3 -63.2 136.3 17.9 -30.6 7.2 89 100 A N > - 0 0 70 3,-0.1 3,-1.0 1,-0.1 -17,-0.2 -0.922 0.9-165.6-121.9 99.4 20.7 -28.5 5.8 90 101 A F G > S+ 0 0 13 -2,-0.6 3,-0.7 1,-0.2 -1,-0.1 0.720 83.1 61.4 -69.0 -16.1 20.3 -28.6 2.0 91 102 A I G 3 S+ 0 0 45 1,-0.3 2,-0.3 -20,-0.0 -1,-0.2 0.828 105.3 52.1 -72.8 -30.5 23.7 -27.2 1.1 92 103 A A G < S+ 0 0 7 -3,-1.0 -20,-2.3 2,-0.0 2,-0.3 -0.270 100.0 85.9-101.1 55.5 25.2 -30.2 2.9 93 104 A M < - 0 0 17 -3,-0.7 2,-0.2 -2,-0.3 -22,-0.0 -0.978 61.4-145.2-154.3 140.5 23.2 -32.8 1.0 94 105 A D >> - 0 0 35 -2,-0.3 4,-1.2 1,-0.1 3,-0.6 -0.659 44.1 -32.8-103.3 168.9 23.5 -34.6 -2.3 95 106 A R T 34 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.2 257,-0.0 -0.280 112.4 25.8 -46.7 142.1 21.0 -35.8 -4.9 96 107 A P T 3> S+ 0 0 115 0, 0.0 4,-0.8 0, 0.0 3,-0.3 -0.983 125.2 41.9 -84.9 -16.5 18.1 -36.7 -4.8 97 108 A R H <> S+ 0 0 127 -3,-0.6 4,-1.7 1,-0.2 -2,-0.2 0.787 109.1 58.4 -62.7 -38.3 17.0 -34.9 -1.5 98 109 A H H X S+ 0 0 0 -4,-1.2 4,-3.8 1,-0.2 5,-0.3 0.950 99.1 59.1 -55.5 -48.0 18.8 -31.6 -2.2 99 110 A D H > S+ 0 0 26 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.841 106.0 44.4 -58.1 -39.5 16.9 -31.0 -5.4 100 111 A E H X S+ 0 0 135 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.921 115.1 49.2 -75.4 -38.0 13.4 -31.0 -3.9 101 112 A Q H X S+ 0 0 11 -4,-1.7 4,-0.9 1,-0.2 3,-0.3 0.939 115.2 44.7 -64.0 -43.5 14.5 -28.8 -1.0 102 113 A R H X S+ 0 0 32 -4,-3.8 4,-1.2 1,-0.2 -1,-0.2 0.867 108.3 57.1 -65.0 -39.8 16.2 -26.4 -3.5 103 114 A K H < S+ 0 0 128 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.816 98.7 62.2 -62.0 -31.4 13.2 -26.4 -5.9 104 115 A A H < S+ 0 0 15 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.984 112.0 36.6 -51.8 -49.2 10.9 -25.2 -3.1 105 116 A V H >< S+ 0 0 0 -4,-0.9 3,-2.0 1,-0.2 -2,-0.2 0.620 85.3 94.1 -87.0 -20.0 12.9 -22.0 -2.7 106 117 A S G >X + 0 0 38 -4,-1.2 3,-4.0 1,-0.3 4,-0.8 0.657 59.0 90.0 -67.4 -14.4 13.9 -21.0 -6.3 107 118 A P G >4 S+ 0 0 45 0, 0.0 3,-0.6 0, 0.0 6,-0.3 0.807 83.8 64.6 -28.3 -41.9 10.8 -18.7 -6.8 108 119 A I G <4 S+ 0 0 3 -3,-2.0 -2,-0.2 1,-0.2 252,-0.2 0.528 94.7 55.3 -55.0 -24.3 13.4 -16.3 -5.3 109 120 A V G <4 S+ 0 0 34 -3,-4.0 -1,-0.2 -4,-0.1 -3,-0.1 0.674 81.9 109.0 -82.9 -21.7 15.5 -16.8 -8.5 110 121 A A S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.897 95.2 61.5 -69.2 -32.5 13.4 -12.3 -12.0 112 123 A A H > S+ 0 0 83 1,-0.2 4,-1.0 2,-0.2 3,-0.1 0.919 106.7 43.8 -53.2 -49.5 9.6 -11.7 -12.2 113 124 A N H >> S+ 0 0 20 -6,-0.3 3,-0.6 1,-0.2 4,-0.5 0.930 111.8 50.7 -65.7 -46.0 9.4 -12.0 -8.5 114 125 A L H >X S+ 0 0 8 -4,-2.1 3,-1.2 1,-0.2 4,-0.5 0.804 100.6 64.6 -60.2 -32.8 12.4 -10.0 -7.6 115 126 A A H >< S+ 0 0 63 -4,-2.0 3,-1.1 1,-0.3 4,-0.3 0.892 96.8 57.3 -62.3 -36.0 11.2 -7.1 -9.8 116 127 A A H << S+ 0 0 48 -4,-1.0 4,-0.3 -3,-0.6 -1,-0.3 0.692 103.7 54.5 -63.9 -23.5 8.2 -6.7 -7.5 117 128 A L H S+ 0 0 49 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.909 112.7 48.0 -67.5 -42.1 10.5 -0.4 -4.7 120 131 A T H > S+ 0 0 49 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.928 112.8 49.6 -62.3 -46.9 10.6 -1.8 -1.1 121 132 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.960 112.8 47.2 -57.1 -48.6 14.4 -2.4 -1.4 122 133 A R H X S+ 0 0 57 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.906 110.6 49.3 -66.1 -42.0 15.0 1.1 -2.7 123 134 A E H X S+ 0 0 112 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.925 113.7 48.5 -64.0 -41.9 12.8 3.0 -0.1 124 135 A R H X S+ 0 0 28 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.919 114.0 44.6 -64.9 -42.5 14.6 1.0 2.7 125 136 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 3,-0.3 0.952 111.2 56.2 -63.5 -46.1 18.1 1.7 1.3 126 137 A S H X S+ 0 0 20 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.894 105.1 50.7 -50.1 -49.7 17.1 5.4 0.8 127 138 A K H X S+ 0 0 157 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.839 111.2 47.9 -59.1 -41.0 16.1 5.9 4.4 128 139 A T H >< S+ 0 0 22 -4,-1.4 3,-0.7 -3,-0.3 4,-0.3 0.926 113.5 46.1 -66.1 -43.3 19.4 4.5 5.7 129 140 A L H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.887 107.8 57.5 -69.8 -34.1 21.6 6.6 3.4 130 141 A D H 3< S+ 0 0 113 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.695 106.5 53.2 -64.1 -22.9 19.5 9.8 4.2 131 142 A G T << S+ 0 0 47 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.391 82.8 108.6 -92.5 -2.4 20.4 9.2 7.9 132 143 A L S < S- 0 0 9 -3,-1.2 6,-0.0 -4,-0.3 -3,-0.0 -0.585 75.7-108.0 -78.6 141.1 24.2 8.9 7.6 133 144 A P - 0 0 26 0, 0.0 270,-0.5 0, 0.0 2,-0.5 -0.323 29.3-137.4 -62.2 142.7 26.4 11.7 8.9 134 145 A V S S+ 0 0 83 1,-0.1 270,-0.2 268,-0.1 3,-0.1 -0.915 81.4 1.8-105.2 129.8 28.0 13.8 6.3 135 146 A G S S+ 0 0 44 268,-2.7 2,-0.3 -2,-0.5 -1,-0.1 0.519 108.9 104.3 76.3 8.3 31.7 14.8 6.8 136 147 A E S S- 0 0 128 267,-0.2 267,-0.5 -3,-0.1 -1,-0.2 -0.917 76.3-110.0-121.6 139.4 31.9 12.8 10.0 137 148 A E + 0 0 103 -2,-0.3 2,-0.3 265,-0.1 265,-0.2 -0.528 45.5 159.4 -67.3 137.7 33.6 9.4 10.5 138 149 A F E -E 401 0B 17 263,-2.1 263,-2.6 -2,-0.2 2,-1.0 -0.942 47.5 -91.6-149.9 168.9 31.4 6.3 11.1 139 150 A D E > -E 400 0B 30 -2,-0.3 4,-2.9 261,-0.2 5,-0.3 -0.748 28.5-165.3 -88.8 104.5 31.6 2.5 10.8 140 151 A W H >>S+ 0 0 0 259,-2.5 4,-2.3 -2,-1.0 5,-2.1 0.868 87.8 57.7 -51.5 -36.8 30.4 1.5 7.4 141 152 A V H 4>S+ 0 0 5 258,-0.4 5,-3.3 3,-0.2 6,-0.4 0.952 115.0 34.6 -63.1 -49.8 30.1 -2.1 8.5 142 153 A D H 4>S+ 0 0 90 3,-0.2 5,-0.8 1,-0.2 -2,-0.2 0.962 124.4 41.0 -69.5 -50.5 27.7 -1.2 11.4 143 154 A R H <5S+ 0 0 92 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.746 134.1 6.6 -74.5 -29.6 25.8 1.6 9.7 144 155 A V T X5S+ 0 0 0 -4,-2.3 4,-3.4 -5,-0.3 5,-0.4 0.716 124.4 46.9-120.9 -62.8 25.3 0.3 6.2 145 156 A S H >S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 4,-0.6 0.951 111.4 49.7 -62.6 -42.0 13.3 -8.7 6.1 155 166 A T H ><5S+ 0 0 8 -4,-3.0 3,-1.0 3,-0.2 -2,-0.2 0.921 107.5 53.4 -59.1 -47.7 12.3 -7.9 2.5 156 167 A L H 3<5S+ 0 0 10 -4,-2.5 60,-3.2 1,-0.2 61,-0.2 0.877 123.3 27.5 -53.6 -44.7 12.7 -11.5 1.4 157 168 A F H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 58,-0.2 -2,-0.2 0.288 102.2-126.0 -95.4 3.0 10.4 -12.8 4.2 158 169 A D T <<5 - 0 0 79 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.911 46.2-176.6 36.3 54.3 8.3 -9.6 4.5 159 170 A F < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.3 5,-0.1 -0.582 42.6 -83.0 -78.2 137.5 9.3 -9.9 8.1 160 171 A P > - 0 0 34 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.201 48.8-140.4 -41.0 110.9 7.8 -7.2 10.4 161 172 A F G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.764 93.9 55.2 -63.4 -42.6 10.3 -4.6 9.7 162 173 A E G 3 S+ 0 0 159 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.682 109.8 50.5 -57.6 -23.2 10.7 -3.1 13.1 163 174 A E G X S+ 0 0 73 -3,-2.1 3,-2.3 1,-0.2 4,-0.3 0.271 73.1 116.1 -98.6 12.9 11.6 -6.6 14.4 164 175 A R T X> + 0 0 42 -3,-1.5 3,-1.6 1,-0.3 4,-0.7 0.688 59.1 74.2 -63.2 -22.8 14.2 -7.4 11.7 165 176 A R H 3> S+ 0 0 96 -3,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.719 83.2 72.0 -61.5 -21.0 17.1 -7.6 14.3 166 177 A K H <> S+ 0 0 74 -3,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.851 90.5 57.8 -60.8 -34.6 15.6 -10.9 15.2 167 178 A L H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.2 0.885 107.6 44.3 -65.0 -43.8 16.8 -12.4 11.9 168 179 A T H X S+ 0 0 16 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.874 112.5 53.6 -72.1 -36.2 20.5 -11.5 12.6 169 180 A R H X S+ 0 0 78 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 110.6 46.0 -55.7 -47.7 20.1 -12.8 16.2 170 181 A W H X S+ 0 0 12 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.878 111.7 53.1 -67.3 -33.6 18.8 -16.1 14.8 171 182 A S H X S+ 0 0 7 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.944 109.8 47.6 -61.5 -43.1 21.6 -16.2 12.3 172 183 A D H < S+ 0 0 78 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.889 112.0 49.9 -66.2 -42.7 24.2 -15.7 15.1 173 184 A V H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.854 99.2 66.7 -66.0 -35.2 22.6 -18.5 17.2 174 185 A T H 3< S+ 0 0 29 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.7 30.4 -59.4 -38.5 22.6 -21.0 14.3 175 186 A T T 3< S+ 0 0 110 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.322 101.7 111.4-105.3 16.1 26.4 -21.2 14.2 176 187 A A < - 0 0 14 -3,-1.2 -3,-0.1 -4,-0.3 13,-0.0 -0.434 43.5-167.9 -90.4 160.2 27.1 -20.5 17.9 177 188 A A > - 0 0 45 -2,-0.1 3,-2.0 6,-0.1 5,-0.4 -0.989 38.0 -87.3-141.9 148.4 28.4 -22.8 20.7 178 189 A P T 3 S+ 0 0 49 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.202 113.2 38.9 -55.9 146.7 28.5 -22.4 24.4 179 190 A G T 3 S+ 0 0 82 4,-0.5 5,-0.1 -3,-0.0 6,-0.0 0.154 91.1 93.1 94.7 -16.6 31.6 -20.5 25.6 180 191 A G S < S- 0 0 60 -3,-2.0 4,-0.1 3,-0.4 -4,-0.0 0.548 96.0-117.4 -80.9 -9.2 31.5 -18.1 22.7 181 192 A G S S+ 0 0 80 2,-0.5 3,-0.1 -4,-0.2 -5,-0.0 0.485 98.6 86.8 78.1 5.4 29.5 -15.4 24.4 182 193 A V S S+ 0 0 55 1,-0.5 2,-0.4 -5,-0.4 -9,-0.1 0.842 102.4 10.0 -94.1 -53.4 26.6 -15.7 21.8 183 194 A V - 0 0 2 -6,-0.3 -4,-0.5 -11,-0.1 -2,-0.5 -0.978 62.8-151.3-122.7 144.5 24.7 -18.5 23.5 184 195 A E S S+ 0 0 164 -2,-0.4 2,-0.3 -6,-0.2 3,-0.1 0.579 77.2 4.9 -89.0 -12.2 25.4 -19.7 27.0 185 196 A S S > S- 0 0 33 1,-0.1 4,-1.9 -7,-0.1 -1,-0.2 -0.992 70.2-108.0-162.7 163.4 24.1 -23.3 26.4 186 197 A W H > S+ 0 0 124 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.832 118.7 57.5 -66.4 -32.2 22.8 -25.7 23.8 187 198 A D H > S+ 0 0 110 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.879 105.3 48.6 -63.0 -43.9 19.4 -25.3 25.5 188 199 A Q H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.892 112.4 49.1 -64.5 -42.5 19.3 -21.6 25.0 189 200 A R H X S+ 0 0 52 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.938 113.8 45.2 -59.5 -50.2 20.3 -22.1 21.3 190 201 A K H X S+ 0 0 82 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.952 112.4 52.7 -59.1 -49.7 17.6 -24.7 20.8 191 202 A T H X S+ 0 0 57 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.920 110.9 46.7 -51.5 -49.7 15.1 -22.5 22.7 192 203 A E H X S+ 0 0 25 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.896 111.3 49.7 -62.9 -40.9 15.9 -19.5 20.4 193 204 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.853 110.0 51.7 -70.1 -30.9 15.7 -21.5 17.2 194 205 A L H X S+ 0 0 93 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.862 107.4 53.6 -68.3 -34.7 12.3 -23.0 18.3 195 206 A E H X S+ 0 0 113 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.900 108.9 49.3 -61.4 -35.0 11.2 -19.3 18.9 196 207 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.935 110.7 48.5 -65.6 -49.9 12.3 -18.7 15.3 197 208 A A H X S+ 0 0 26 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.901 112.1 50.3 -56.4 -49.1 10.3 -21.7 14.0 198 209 A A H X S+ 0 0 59 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.907 111.6 48.3 -56.3 -44.7 7.2 -20.4 16.1 199 210 A Y H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.938 113.2 45.7 -60.7 -49.9 7.5 -16.9 14.6 200 211 A F H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.718 110.5 55.4 -67.0 -28.1 7.8 -18.2 11.0 201 212 A Q H X S+ 0 0 63 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.886 105.6 51.1 -70.3 -39.0 4.9 -20.5 11.7 202 213 A V H X S+ 0 0 76 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.959 111.7 49.0 -56.8 -48.2 2.8 -17.5 12.8 203 214 A L H X S+ 0 0 6 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.901 111.3 48.1 -58.7 -45.4 3.7 -15.8 9.6 204 215 A W H >X S+ 0 0 40 -4,-1.9 4,-2.7 2,-0.2 3,-0.8 0.927 111.4 51.0 -60.7 -45.8 2.9 -18.9 7.5 205 216 A N H 3X S+ 0 0 94 -4,-2.6 4,-0.6 1,-0.3 -2,-0.2 0.942 111.3 48.1 -64.8 -40.3 -0.5 -19.2 9.3 206 217 A E H 3< S+ 0 0 113 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.654 119.5 39.0 -67.1 -21.9 -1.4 -15.6 8.6 207 218 A R H X< S+ 0 0 29 -4,-0.9 3,-1.9 -3,-0.8 -2,-0.2 0.759 92.7 77.7-104.7 -25.7 -0.4 -15.9 5.0 208 219 A V H 3< S+ 0 0 40 -4,-2.7 -2,-0.1 1,-0.3 -3,-0.1 0.767 104.3 38.0 -61.7 -32.3 -1.6 -19.2 3.8 209 220 A N T 3< S+ 0 0 140 -4,-0.6 2,-0.3 2,-0.1 -1,-0.3 -0.022 105.4 78.6-105.6 28.6 -5.2 -18.0 3.5 210 221 A K S < S- 0 0 144 -3,-1.9 3,-0.1 8,-0.1 -3,-0.0 -0.858 100.8 -78.5-121.7 164.1 -4.6 -14.5 2.2 211 222 A D - 0 0 152 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.363 65.1 -99.9 -54.8 142.6 -3.7 -13.5 -1.3 212 223 A P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.421 34.7-148.3 -68.5 140.0 -0.0 -14.3 -1.7 213 224 A G - 0 0 30 2,-0.1 -3,-0.0 -2,-0.1 -6,-0.0 -0.117 33.3 -98.9 -78.1-169.1 2.5 -11.5 -1.3 214 225 A N S S+ 0 0 80 -98,-0.1 -97,-0.1 4,-0.1 2,-0.1 0.419 91.0 104.6 -91.7 5.5 5.8 -11.3 -3.2 215 226 A D S > S- 0 0 7 -58,-0.1 4,-2.2 1,-0.1 -58,-0.2 -0.366 82.0-112.0 -85.0 164.6 7.7 -12.6 -0.1 216 227 A L H > S+ 0 0 3 -60,-3.2 4,-2.7 1,-0.2 5,-0.2 0.837 111.7 54.1 -65.5 -38.5 9.0 -16.1 0.3 217 228 A I H > S+ 0 0 1 -61,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 111.0 46.2 -66.8 -47.0 6.7 -17.3 3.1 218 229 A S H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 114.5 49.1 -52.8 -50.1 3.6 -16.4 1.1 219 230 A M H X S+ 0 0 35 -4,-2.2 4,-0.7 1,-0.2 3,-0.2 0.929 112.0 46.3 -65.0 -41.4 5.0 -18.1 -2.0 220 231 A L H < S+ 0 0 4 -4,-2.7 3,-0.4 1,-0.2 6,-0.2 0.874 112.8 51.3 -63.0 -41.4 6.0 -21.2 -0.1 221 232 A A H < S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 115.8 40.6 -68.9 -27.5 2.5 -21.3 1.5 222 233 A H H < S+ 0 0 79 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.433 93.0 101.0 -99.9 0.7 0.7 -21.0 -1.9 223 234 A S >< - 0 0 31 -4,-0.7 3,-0.8 -3,-0.4 -119,-0.0 -0.705 64.2-148.9 -95.1 132.0 2.8 -23.2 -3.8 224 235 A P G > S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.848 93.4 69.8 -69.0 -28.0 1.6 -26.7 -4.5 225 236 A A G > S+ 0 0 68 1,-0.3 3,-0.5 2,-0.1 -121,-0.1 0.845 93.5 58.6 -54.4 -32.7 5.2 -28.1 -4.5 226 237 A T G X + 0 0 11 -3,-0.8 3,-2.1 -6,-0.2 -1,-0.3 0.352 69.4 110.4 -83.8 15.3 5.4 -27.4 -0.8 227 238 A R G < S+ 0 0 207 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.891 86.0 39.6 -54.3 -44.3 2.4 -29.7 0.2 228 239 A N G < S+ 0 0 131 -3,-0.5 2,-0.7 -4,-0.2 -1,-0.3 0.140 83.6 130.0 -93.4 16.5 4.7 -32.3 1.9 229 240 A M < - 0 0 31 -3,-2.1 -3,-0.0 4,-0.1 -128,-0.0 -0.632 48.1-147.9 -77.2 115.4 7.1 -29.7 3.5 230 241 A T > - 0 0 54 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