==== 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-AUG-08 3E5L . COMPND 2 MOLECULE: CYTOCHROME P450 (CYTOCHROME P450 HYDROXYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; . AUTHOR L.H.XU,S.FUSHINOBU,H.IKEDA,T.WAKAGI,H.SHOUN . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 0 2 1 0 2 0 0 1 0 0 2 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 3 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 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 7 A D 0 0 194 0, 0.0 31,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.5 -18.8 -28.5 -22.2 2 8 A A - 0 0 13 29,-0.2 29,-0.1 1,-0.1 30,-0.0 0.051 360.0 -89.6 -65.8 148.4 -19.7 -25.3 -24.0 3 9 A P - 0 0 98 0, 0.0 29,-2.6 0, 0.0 2,-0.2 -0.137 43.3-103.5 -57.8 146.7 -17.4 -23.8 -26.8 4 10 A T B -a 32 0A 108 27,-0.2 29,-0.2 1,-0.1 3,-0.1 -0.465 41.3-103.1 -75.2 135.5 -14.6 -21.3 -25.9 5 11 A V - 0 0 27 27,-2.4 -1,-0.1 -2,-0.2 14,-0.1 -0.415 43.1-104.8 -56.7 127.7 -15.4 -17.7 -26.7 6 12 A P + 0 0 32 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.331 50.7 160.9 -52.3 132.8 -13.6 -16.7 -29.9 7 13 A K + 0 0 69 8,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.453 36.6 103.2-130.9 -16.6 -10.6 -14.5 -29.0 8 14 A A - 0 0 79 8,-0.1 9,-1.5 2,-0.0 2,-0.4 -0.636 49.5-163.8 -88.5 135.0 -8.4 -14.6 -32.1 9 15 A R - 0 0 43 -2,-0.3 -1,-0.0 7,-0.3 -2,-0.0 -0.978 15.4-171.6-117.2 115.1 -8.3 -11.6 -34.4 10 16 A S S S+ 0 0 102 -2,-0.4 -1,-0.1 5,-0.3 -2,-0.0 0.741 92.1 43.2 -79.6 -25.4 -6.9 -11.9 -38.0 11 17 A C S > S- 0 0 47 4,-0.3 3,-1.5 3,-0.1 -1,-0.3 -0.990 81.9-150.1-118.1 121.7 -7.3 -8.2 -38.2 12 18 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.594 94.0 51.4 -69.5 -15.3 -6.1 -6.3 -35.0 13 19 A F T 3 S+ 0 0 5 2,-0.1 233,-0.0 232,-0.1 229,-0.0 0.521 105.9 66.2 -96.0 -9.6 -8.6 -3.4 -35.3 14 20 A L S < S- 0 0 50 -3,-1.5 3,-0.1 1,-0.2 -3,-0.1 -0.597 94.2 -86.7-112.8 163.6 -11.6 -5.6 -35.8 15 21 A P - 0 0 18 0, 0.0 -4,-0.3 0, 0.0 -5,-0.3 -0.153 62.1 -70.5 -63.0 165.2 -13.3 -8.1 -33.4 16 22 A P > - 0 0 10 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.405 54.2-120.7 -52.4 133.7 -12.3 -11.8 -32.9 17 23 A D T > S+ 0 0 90 -9,-1.5 3,-1.0 1,-0.3 4,-0.4 0.852 104.1 55.6 -46.7 -49.2 -13.3 -13.4 -36.2 18 24 A G T 3> S+ 0 0 31 -10,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.482 86.4 81.8 -67.6 -6.3 -15.8 -16.0 -34.8 19 25 A I H <> S+ 0 0 1 -3,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.833 80.7 59.9 -76.4 -31.3 -18.0 -13.6 -32.9 20 26 A A H <> S+ 0 0 41 -3,-1.0 4,-2.7 -4,-0.3 -1,-0.2 0.909 105.0 49.8 -64.1 -48.1 -20.2 -12.4 -35.7 21 27 A D H > S+ 0 0 132 -4,-0.4 4,-1.7 2,-0.2 5,-0.2 0.838 111.0 48.6 -59.8 -39.8 -21.5 -15.9 -36.5 22 28 A I H X S+ 0 0 48 -4,-1.1 4,-3.5 2,-0.2 -2,-0.2 0.958 112.8 49.0 -64.5 -49.3 -22.3 -16.5 -32.8 23 29 A R H < S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 110.3 50.6 -56.4 -45.6 -24.2 -13.1 -32.6 24 30 A A H < S+ 0 0 87 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.904 123.6 29.5 -62.9 -38.8 -26.2 -13.8 -35.7 25 31 A A H < S+ 0 0 85 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.894 136.1 10.7 -84.3 -46.7 -27.4 -17.2 -34.5 26 32 A A < + 0 0 32 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.683 53.6 178.1-145.8 80.3 -27.5 -17.0 -30.7 27 33 A P S S+ 0 0 36 0, 0.0 16,-2.1 0, 0.0 17,-1.1 0.578 87.9 40.2 -66.5 -14.1 -27.1 -13.6 -29.1 28 34 A V E S+ B 0 42A 13 14,-0.2 2,-0.2 265,-0.1 14,-0.2 -0.941 86.5 136.1-128.6 118.7 -27.6 -15.3 -25.7 29 35 A T E - B 0 41A 44 12,-2.0 12,-3.2 -2,-0.4 2,-0.3 -0.846 52.7 -94.9-150.1 175.0 -25.7 -18.5 -25.6 30 36 A R E + B 0 40A 65 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.800 45.0 168.0-101.6 147.8 -23.3 -20.6 -23.3 31 37 A A E - B 0 39A 2 8,-2.3 8,-2.2 -2,-0.3 2,-0.5 -0.976 36.8-115.6-151.5 163.6 -19.6 -20.4 -23.6 32 38 A T E -aB 4 38A 17 -29,-2.6 -27,-2.4 -2,-0.3 6,-0.2 -0.927 36.8-156.8-103.2 129.6 -16.3 -21.3 -22.0 33 39 A F > - 0 0 26 4,-2.9 3,-1.1 -2,-0.5 33,-0.1 -0.235 35.7 -85.2 -98.4-178.8 -14.3 -18.3 -21.0 34 40 A T T 3 S+ 0 0 55 1,-0.3 32,-0.2 31,-0.1 31,-0.1 0.795 123.5 57.6 -63.2 -29.9 -10.6 -17.7 -20.4 35 41 A S T 3 S- 0 0 18 30,-2.0 -1,-0.3 2,-0.1 35,-0.2 0.728 117.6-109.5 -69.9 -22.3 -10.8 -18.9 -16.7 36 42 A G S < S+ 0 0 53 -3,-1.1 2,-0.2 1,-0.4 -2,-0.1 0.363 80.6 125.5 103.1 -5.0 -12.1 -22.2 -17.8 37 43 A H - 0 0 59 28,-0.1 -4,-2.9 -5,-0.0 -1,-0.4 -0.586 57.9-129.8 -85.9 151.2 -15.6 -21.4 -16.4 38 44 A E E +B 32 0A 83 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.824 38.4 154.5-100.9 137.0 -18.7 -21.6 -18.5 39 45 A A E -B 31 0A 2 -8,-2.2 -8,-2.3 -2,-0.4 2,-0.4 -0.882 49.4 -72.8-146.3 175.1 -21.2 -18.6 -18.4 40 46 A W E -Bc 30 303A 33 262,-2.3 264,-2.7 -2,-0.3 2,-0.5 -0.710 41.8-153.5 -72.1 128.6 -23.8 -16.9 -20.5 41 47 A L E -Bc 29 304A 2 -12,-3.2 -12,-2.0 -2,-0.4 2,-0.5 -0.934 8.3-167.1-102.6 122.9 -22.3 -15.0 -23.5 42 48 A V E +Bc 28 305A 0 262,-2.8 264,-2.7 -2,-0.5 268,-0.2 -0.955 23.2 152.8-114.3 114.9 -24.5 -12.0 -24.6 43 49 A T + 0 0 0 -16,-2.1 2,-0.2 -2,-0.5 -15,-0.1 0.567 38.7 99.2-117.7 -17.8 -23.4 -10.6 -28.0 44 50 A G S > S- 0 0 1 -17,-1.1 4,-2.8 1,-0.1 5,-0.3 -0.571 71.0-131.6 -82.3 141.9 -26.5 -9.0 -29.5 45 51 A Y H > S+ 0 0 29 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 105.6 45.6 -54.6 -49.5 -26.9 -5.3 -29.1 46 52 A E H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 115.4 47.8 -66.5 -36.4 -30.5 -5.4 -27.8 47 53 A E H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 109.7 51.3 -70.9 -40.2 -29.7 -8.2 -25.4 48 54 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.910 112.5 47.3 -67.4 -39.2 -26.6 -6.5 -24.0 49 55 A R H X S+ 0 0 52 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.925 111.3 50.0 -63.8 -45.0 -28.5 -3.3 -23.4 50 56 A A H X S+ 0 0 34 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.896 112.9 48.2 -62.5 -37.7 -31.4 -5.1 -21.7 51 57 A L H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 6,-0.2 0.953 113.0 45.9 -63.7 -51.2 -28.8 -7.0 -19.5 52 58 A L H 3< S+ 0 0 14 -4,-2.7 287,-0.5 1,-0.3 288,-0.3 0.794 112.5 50.8 -68.3 -27.3 -26.9 -3.8 -18.5 53 59 A R H 3< S+ 0 0 135 -4,-2.2 2,-0.7 285,-0.2 -1,-0.3 0.627 89.5 97.3 -81.3 -15.4 -30.1 -1.8 -17.8 54 60 A D X< - 0 0 45 -3,-1.0 3,-1.4 -4,-0.6 -4,-0.0 -0.670 57.9-163.6 -85.4 113.9 -31.4 -4.7 -15.6 55 61 A S T 3 S+ 0 0 100 -2,-0.7 31,-0.2 1,-0.3 -1,-0.1 0.320 78.4 82.2 -87.1 8.8 -30.7 -3.9 -11.9 56 62 A S T 3 S+ 0 0 4 -5,-0.1 231,-1.4 2,-0.1 2,-0.5 0.594 77.0 87.3 -71.1 -28.1 -31.4 -7.6 -11.0 57 63 A F E < S-D 286 0A 16 -3,-1.4 2,-0.2 -6,-0.2 229,-0.2 -0.724 70.7-150.9 -83.4 128.7 -27.8 -8.3 -12.1 58 64 A S E -D 285 0A 11 227,-3.4 227,-2.2 -2,-0.5 27,-0.1 -0.636 13.5-147.3 -91.3 157.4 -25.1 -7.8 -9.5 59 65 A V S S+ 0 0 9 -2,-0.2 2,-1.8 225,-0.2 224,-0.1 0.535 79.3 95.9-102.6 -11.8 -21.6 -6.8 -10.4 60 66 A Q - 0 0 102 225,-0.1 -1,-0.1 23,-0.0 224,-0.1 -0.517 66.9-172.5 -84.6 72.0 -20.2 -8.8 -7.4 61 67 A V - 0 0 12 -2,-1.8 11,-0.1 222,-0.2 224,-0.1 -0.203 32.3-136.3 -73.7 148.3 -19.4 -11.9 -9.5 62 68 A P S S+ 0 0 68 0, 0.0 10,-0.4 0, 0.0 2,-0.4 0.855 89.4 34.5 -74.7 -30.7 -18.3 -15.4 -8.2 63 69 A H - 0 0 70 8,-0.1 2,-1.0 -26,-0.0 8,-0.2 -0.945 66.7-139.7-126.7 143.3 -15.6 -15.7 -11.0 64 70 A A > - 0 0 20 6,-1.7 3,-0.8 -2,-0.4 7,-0.1 -0.885 28.7-177.2 -90.7 102.1 -13.3 -13.4 -12.8 65 71 A L T 3 S+ 0 0 3 -2,-1.0 -30,-2.0 1,-0.2 -29,-0.3 0.782 73.3 62.0 -77.7 -27.8 -13.7 -15.1 -16.2 66 72 A A T 3 S+ 0 0 31 -32,-0.2 -1,-0.2 -33,-0.1 2,-0.2 0.356 97.9 81.9 -75.2 3.5 -11.2 -12.9 -18.2 67 73 A T S < S- 0 0 50 -3,-0.8 5,-0.0 2,-0.2 -34,-0.0 -0.648 89.1-114.5-117.2 158.3 -8.5 -14.3 -15.8 68 74 A Q S S+ 0 0 145 -2,-0.2 2,-0.3 3,-0.1 -1,-0.1 0.903 106.6 30.9 -63.6 -47.3 -6.4 -17.5 -15.7 69 75 A D S S- 0 0 95 2,-0.1 -2,-0.2 -33,-0.0 -5,-0.1 -0.720 96.1-111.6 -96.0 159.8 -7.9 -18.8 -12.4 70 76 A G S S+ 0 0 14 -2,-0.3 -6,-1.7 -35,-0.2 2,-0.6 0.299 71.8 142.1 -74.1 21.3 -11.6 -17.9 -11.7 71 77 A V - 0 0 84 -8,-0.2 2,-0.6 -7,-0.1 -2,-0.1 -0.505 44.8-153.7 -86.3 111.3 -10.2 -15.7 -8.9 72 78 A V - 0 0 37 -2,-0.6 3,-0.1 -10,-0.4 -1,-0.1 -0.710 29.0-134.6 -74.1 115.5 -11.9 -12.3 -8.2 73 79 A T - 0 0 86 -2,-0.6 -1,-0.1 1,-0.2 0, 0.0 -0.183 40.1 -53.5 -69.5 163.2 -9.1 -10.2 -6.6 74 80 A Q - 0 0 149 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.039 62.1-146.4 -21.5 118.3 -9.3 -8.0 -3.6 75 81 A K - 0 0 95 -3,-0.1 2,-0.1 8,-0.0 -1,-0.1 -0.812 5.6-124.2-105.9 144.6 -12.1 -5.5 -4.0 76 82 A P - 0 0 60 0, 0.0 7,-0.2 0, 0.0 3,-0.1 -0.463 26.5-138.3 -80.9 161.1 -12.3 -1.8 -2.8 77 83 A G > - 0 0 38 1,-0.2 3,-2.0 -2,-0.1 4,-0.4 0.234 54.4 -0.8 -94.8-145.7 -15.2 -0.5 -0.5 78 84 A R T 3 S+ 0 0 84 1,-0.2 145,-0.3 2,-0.1 -1,-0.2 -0.161 126.1 22.3 -46.9 126.9 -17.5 2.6 -0.2 79 85 A G T 3 S+ 0 0 1 144,-0.1 -1,-0.2 9,-0.1 148,-0.1 0.301 98.4 91.0 96.3 -11.2 -16.8 5.2 -2.9 80 86 A S < - 0 0 0 -3,-2.0 2,-2.7 1,-0.1 -2,-0.1 0.695 62.4-171.9 -92.4 -20.5 -15.1 2.9 -5.4 81 87 A L > + 0 0 14 -4,-0.4 3,-1.6 1,-0.2 -1,-0.1 -0.150 58.6 90.3 73.5 -50.6 -18.4 2.1 -7.2 82 88 A L T 3 S+ 0 0 96 -2,-2.7 -1,-0.2 1,-0.3 7,-0.0 0.827 99.6 28.2 -57.3 -41.1 -17.1 -0.6 -9.5 83 89 A W T 3 S+ 0 0 60 -6,-0.2 2,-0.4 -7,-0.2 -1,-0.3 0.147 98.9 109.9-108.3 19.8 -17.9 -3.5 -7.2 84 90 A Q < - 0 0 10 -3,-1.6 2,-0.3 -7,-0.1 -25,-0.1 -0.749 50.1-155.8 -95.3 139.0 -20.8 -1.9 -5.3 85 91 A D >> - 0 0 42 -2,-0.4 4,-2.3 1,-0.1 3,-0.6 -0.792 39.0 -57.7-101.4 155.3 -24.4 -3.0 -5.6 86 92 A E T 34 S+ 0 0 131 1,-0.3 4,-0.1 -2,-0.3 -1,-0.1 -0.293 115.0 36.9 -53.7 149.6 -27.5 -0.9 -4.9 87 93 A P T 3> S+ 0 0 86 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 -0.976 130.3 33.7 -78.2 -21.2 -28.4 0.6 -2.5 88 94 A E H <> S+ 0 0 94 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.907 114.8 58.3 -69.5 -46.1 -24.8 1.6 -1.5 89 95 A H H < S+ 0 0 5 -4,-2.3 2,-0.9 1,-0.2 251,-0.0 -0.554 110.9 39.8 -56.4 146.4 -23.6 1.9 -5.1 90 96 A T H > S+ 0 0 70 -2,-0.2 4,-2.5 1,-0.2 -2,-0.2 -0.380 115.6 49.0 109.0 -68.4 -26.2 4.5 -6.2 91 97 A S H X S+ 0 0 42 -4,-1.6 4,-2.1 -2,-0.9 -1,-0.2 0.876 117.9 41.9 -75.8 -38.1 -26.1 6.5 -3.0 92 98 A D H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -3,-0.2 0.877 116.8 47.9 -72.7 -36.3 -22.3 6.6 -3.1 93 99 A R H > S+ 0 0 52 -5,-0.3 4,-3.5 2,-0.2 5,-0.2 0.946 111.0 53.0 -64.1 -43.6 -22.4 7.2 -6.9 94 100 A K H X S+ 0 0 155 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.890 108.6 48.8 -54.0 -47.3 -25.0 9.9 -6.2 95 101 A L H >X S+ 0 0 19 -4,-2.1 3,-1.1 2,-0.2 4,-0.7 0.965 115.3 44.5 -58.1 -53.8 -22.6 11.6 -3.7 96 102 A L H >X S+ 0 0 3 -4,-2.5 4,-3.1 1,-0.3 3,-1.6 0.930 109.2 54.9 -54.0 -52.0 -19.8 11.4 -6.2 97 103 A A H 3< S+ 0 0 41 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.678 95.4 71.1 -59.2 -17.7 -21.9 12.6 -9.0 98 104 A K H << S+ 0 0 115 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.881 117.3 17.7 -69.5 -31.9 -22.8 15.7 -6.9 99 105 A E H << S+ 0 0 31 -3,-1.6 2,-1.6 -4,-0.7 -2,-0.2 0.736 116.7 66.6-107.5 -37.6 -19.3 17.1 -7.3 100 106 A F S < S+ 0 0 7 -4,-3.1 -1,-0.2 -5,-0.2 2,-0.2 -0.649 80.6 161.6 -84.1 73.6 -18.0 15.2 -10.3 101 107 A T > - 0 0 44 -2,-1.6 4,-1.7 -3,-0.1 5,-0.1 -0.485 58.7-114.4 -95.9 160.0 -20.5 16.9 -12.6 102 108 A V H > S+ 0 0 74 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.867 120.3 59.0 -59.6 -34.9 -20.6 17.3 -16.3 103 109 A R H > S+ 0 0 213 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.958 105.1 48.7 -54.4 -51.4 -20.2 21.1 -15.5 104 110 A R H 4 S+ 0 0 52 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.867 112.0 49.7 -59.7 -33.7 -16.9 20.3 -13.7 105 111 A M H >< S+ 0 0 5 -4,-1.7 3,-1.4 2,-0.2 -1,-0.2 0.931 110.8 47.4 -72.1 -48.0 -15.8 18.1 -16.7 106 112 A Q H >< S+ 0 0 93 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.911 104.0 63.3 -55.1 -42.1 -16.6 20.8 -19.3 107 113 A A T 3< S+ 0 0 68 -4,-3.0 4,-0.3 1,-0.3 -1,-0.3 0.683 94.0 64.3 -61.5 -14.2 -14.8 23.3 -17.0 108 114 A L T <> S+ 0 0 16 -3,-1.4 4,-2.7 -4,-0.4 -1,-0.3 0.500 71.4 98.3 -85.8 -5.6 -11.6 21.2 -17.6 109 115 A R H <> S+ 0 0 98 -3,-2.2 4,-3.0 1,-0.2 5,-0.3 0.928 84.0 46.9 -47.5 -54.3 -11.4 21.9 -21.4 110 116 A P H > S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.931 112.9 51.8 -58.1 -39.3 -8.8 24.7 -21.1 111 117 A N H > S+ 0 0 31 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.931 111.1 46.5 -54.8 -49.3 -6.8 22.4 -18.8 112 118 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.907 111.0 52.0 -65.1 -41.3 -6.9 19.5 -21.3 113 119 A Q H X S+ 0 0 56 -4,-3.0 4,-2.9 -5,-0.2 -1,-0.2 0.928 111.8 47.2 -58.4 -43.7 -5.9 21.8 -24.2 114 120 A R H X S+ 0 0 123 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.936 113.7 46.7 -61.7 -51.2 -2.9 23.0 -22.2 115 121 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.918 113.8 48.5 -62.5 -45.0 -1.9 19.5 -21.2 116 122 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.949 114.0 45.9 -62.1 -48.0 -2.2 18.2 -24.8 117 123 A D H X S+ 0 0 41 -4,-2.9 4,-3.5 -5,-0.3 -2,-0.2 0.896 109.9 54.9 -61.1 -38.5 -0.2 21.2 -26.1 118 124 A E H X S+ 0 0 85 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.925 110.7 45.4 -64.1 -42.0 2.5 20.8 -23.4 119 125 A H H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.909 114.2 47.5 -68.1 -41.8 3.0 17.2 -24.4 120 126 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.911 107.0 57.3 -65.5 -39.0 3.0 18.0 -28.1 121 127 A D H X S+ 0 0 83 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.935 110.3 45.7 -52.1 -46.2 5.5 20.8 -27.5 122 128 A A H X S+ 0 0 62 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.859 112.2 50.6 -66.8 -39.6 7.8 18.2 -25.9 123 129 A I H X S+ 0 0 2 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.918 111.8 45.6 -66.3 -42.5 7.3 15.7 -28.7 124 130 A E H < S+ 0 0 92 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.878 105.3 61.2 -77.4 -31.1 8.1 18.2 -31.4 125 131 A A H < S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.874 113.7 36.9 -53.2 -42.8 11.2 19.6 -29.6 126 132 A R H < S- 0 0 165 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.736 103.9-155.3 -79.1 -20.1 12.8 16.1 -29.7 127 133 A G < + 0 0 26 -4,-1.2 265,-0.1 -3,-0.3 -2,-0.0 0.023 30.1 19.3 55.1 170.7 11.6 14.9 -33.2 128 134 A G S S+ 0 0 44 2,-0.1 264,-0.2 265,-0.1 2,-0.1 0.196 93.5 29.6 111.2 90.2 11.0 12.2 -34.8 129 135 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 263,-0.2 0.746 70.0 162.0 -84.4 148.8 10.5 9.2 -34.4 130 136 A V E -F 391 0B 5 261,-2.0 261,-2.3 259,-0.1 2,-0.9 -0.927 45.3-113.8-127.8 154.9 8.7 8.9 -31.0 131 137 A D E > -F 390 0B 46 -2,-0.3 4,-2.1 259,-0.2 5,-0.1 -0.821 25.8-163.3 -83.0 106.9 6.6 6.3 -29.2 132 138 A L H >>S+ 0 0 3 257,-2.9 5,-3.2 -2,-0.9 4,-1.0 0.697 83.7 60.0 -64.8 -21.6 3.2 8.1 -29.0 133 139 A V H >4>S+ 0 0 9 3,-0.2 5,-3.1 4,-0.2 3,-0.9 0.995 111.2 34.7 -73.2 -63.1 2.1 5.7 -26.3 134 140 A K H 345S+ 0 0 142 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.865 126.7 40.2 -50.5 -45.7 4.8 6.5 -23.7 135 141 A T H 3<5S- 0 0 22 -4,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.509 136.5 -1.1 -90.9 -4.3 5.0 10.2 -24.6 136 142 A F T S+ 0 0 17 -6,-0.5 4,-1.6 2,-0.1 -2,-0.2 0.893 101.5 54.8 -88.0 -46.4 0.8 10.8 -20.1 140 146 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.935 104.4 51.6 -58.5 -52.9 -2.1 13.1 -21.0 141 147 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.846 110.2 47.2 -59.6 -37.4 -5.0 11.2 -19.2 142 148 A S H X S+ 0 0 2 -4,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.866 111.0 53.0 -72.8 -31.7 -3.3 10.9 -15.8 143 149 A M H X S+ 0 0 17 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.848 105.5 53.6 -70.3 -36.6 -2.4 14.6 -16.0 144 150 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.934 109.8 48.9 -55.6 -46.4 -6.0 15.5 -16.7 145 151 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 107.1 55.4 -63.4 -40.4 -7.0 13.5 -13.6 146 152 A S H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 -1,-0.2 0.910 108.4 47.9 -64.0 -35.3 -4.3 15.3 -11.5 147 153 A D H ><5S+ 0 0 26 -4,-2.0 3,-1.6 3,-0.2 -1,-0.2 0.894 108.0 55.2 -62.4 -43.0 -5.8 18.7 -12.5 148 154 A L H 3<5S+ 0 0 3 -4,-2.0 54,-3.1 1,-0.3 55,-0.4 0.881 110.7 47.3 -54.4 -36.1 -9.2 17.3 -11.5 149 155 A F T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 52,-0.2 -2,-0.2 0.322 118.0-112.6 -93.0 2.5 -7.7 16.5 -8.2 150 156 A G T < 5 + 0 0 31 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.647 52.1 169.4 80.7 15.1 -6.0 20.0 -7.7 151 157 A V < - 0 0 12 -5,-2.9 -1,-0.2 -6,-0.2 5,-0.1 -0.456 33.2-128.2 -65.4 121.5 -2.5 18.7 -8.0 152 158 A P >> - 0 0 50 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.364 23.1-107.9 -69.4 154.7 -0.2 21.8 -8.3 153 159 A V H >> S+ 0 0 106 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.812 118.1 61.4 -55.0 -32.5 2.3 21.7 -11.2 154 160 A E H 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.753 107.3 47.8 -59.8 -26.0 5.3 21.1 -8.9 155 161 A R H <> S+ 0 0 111 -3,-2.0 4,-1.8 1,-0.1 3,-0.3 0.567 88.0 88.4 -95.6 -6.5 3.6 17.9 -7.9 156 162 A R H S+ 0 0 83 -3,-0.3 4,-2.7 -4,-0.3 5,-0.2 0.923 114.8 48.7 -66.5 -44.6 5.6 12.6 -9.0 159 165 A F H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.918 111.5 50.0 -60.1 -47.6 2.0 12.0 -9.8 160 166 A Q H X S+ 0 0 29 -4,-3.6 4,-3.1 2,-0.2 -2,-0.2 0.931 113.1 46.3 -57.4 -48.8 2.7 11.1 -13.4 161 167 A D H X S+ 0 0 86 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.919 115.7 44.8 -63.9 -45.5 5.4 8.7 -12.5 162 168 A I H X S+ 0 0 9 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.925 115.3 48.4 -65.2 -41.7 3.3 7.0 -9.8 163 169 A A H X S+ 0 0 0 -4,-3.1 4,-0.7 -5,-0.2 -2,-0.2 0.955 113.2 47.7 -64.7 -45.9 0.2 6.9 -12.1 164 170 A E H >X S+ 0 0 45 -4,-3.1 4,-1.5 -5,-0.2 3,-1.3 0.900 108.7 52.1 -58.8 -45.6 2.3 5.4 -14.9 165 171 A A H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 108.6 54.2 -62.1 -31.0 4.0 2.7 -12.8 166 172 A M H 3< S+ 0 0 61 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.663 109.5 47.5 -71.6 -20.3 0.5 1.7 -11.7 167 173 A M H << S+ 0 0 18 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.831 88.8 96.5 -97.9 -32.9 -0.7 1.3 -15.2 168 174 A R < - 0 0 95 -4,-1.5 3,-0.0 1,-0.1 66,-0.0 -0.049 49.9-164.0 -72.2 157.5 2.1 -0.7 -16.7 169 175 A V + 0 0 101 1,-0.1 2,-0.7 212,-0.0 -1,-0.1 0.150 64.6 94.3-140.6 26.3 2.0 -4.5 -17.1 170 176 A D S S+ 0 0 131 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.876 74.9 106.5-100.2 88.5 5.4 -5.9 -17.8 171 177 A Q - 0 0 51 -2,-0.7 2,-0.1 -3,-0.0 0, 0.0 -0.938 68.3-123.0-168.1 132.7 5.7 -6.4 -14.0 172 178 A D > - 0 0 112 -2,-0.3 4,-2.4 1,-0.0 5,-0.2 -0.242 45.9 -89.7 -73.6 175.3 5.6 -9.3 -11.5 173 179 A A H > S+ 0 0 81 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.877 124.2 46.8 -59.7 -42.2 3.0 -9.5 -8.5 174 180 A A H > S+ 0 0 65 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.914 111.7 49.5 -69.7 -44.5 5.1 -7.7 -6.0 175 181 A A H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.913 112.7 50.0 -58.7 -42.4 6.1 -4.8 -8.3 176 182 A T H X S+ 0 0 65 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.974 113.2 45.0 -63.9 -51.2 2.4 -4.5 -9.2 177 183 A E H X S+ 0 0 106 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.889 110.9 53.4 -53.9 -47.4 1.5 -4.4 -5.5 178 184 A A H X S+ 0 0 45 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.913 106.9 52.5 -55.4 -45.7 4.3 -1.9 -4.7 179 185 A A H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.927 109.4 49.4 -60.7 -41.9 3.0 0.4 -7.4 180 186 A G H X S+ 0 0 26 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.860 111.4 48.3 -63.0 -37.4 -0.5 0.3 -5.9 181 187 A M H X S+ 0 0 126 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.837 108.6 53.0 -75.0 -34.8 0.8 1.0 -2.4 182 188 A R H X S+ 0 0 105 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.922 112.9 46.2 -62.1 -42.8 2.9 3.9 -3.7 183 189 A L H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.929 110.8 50.4 -63.0 -49.6 -0.4 5.3 -5.3 184 190 A G H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.914 110.6 51.3 -61.1 -41.7 -2.5 4.8 -2.3 185 191 A G H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.904 109.6 49.4 -56.6 -44.1 0.1 6.6 -0.2 186 192 A L H X S+ 0 0 17 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.883 112.8 47.1 -61.4 -41.8 0.1 9.5 -2.7 187 193 A L H X S+ 0 0 3 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.849 108.7 54.2 -75.9 -33.4 -3.7 9.8 -2.6 188 194 A Y H X S+ 0 0 92 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.933 112.2 44.0 -62.8 -44.4 -3.9 9.6 1.2 189 195 A Q H X S+ 0 0 117 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.913 111.6 54.7 -66.3 -36.6 -1.5 12.5 1.4 190 196 A L H X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.942 108.0 49.4 -63.4 -46.4 -3.4 14.3 -1.3 191 197 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 3,-0.4 0.949 112.0 47.5 -56.5 -49.7 -6.6 13.9 0.7 192 198 A Q H >X S+ 0 0 57 -4,-2.3 4,-2.2 1,-0.2 3,-0.5 0.943 110.5 52.3 -54.3 -52.6 -4.9 15.3 3.9 193 199 A E H 3X S+ 0 0 94 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.778 109.0 49.8 -57.1 -30.0 -3.4 18.2 2.0 194 200 A R H 3< S+ 0 0 22 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.758 107.9 53.8 -78.4 -29.3 -6.9 19.1 0.6 195 201 A R H << S+ 0 0 99 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.910 113.5 43.2 -66.9 -39.5 -8.4 18.9 4.0 196 202 A A H < S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.955 132.4 18.9 -68.5 -52.9 -5.7 21.4 5.3 197 203 A N S < S- 0 0 104 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.771 82.5-157.6-125.7 83.0 -5.9 23.8 2.2 198 204 A P + 0 0 89 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.150 16.4 176.6 -59.4 158.8 -9.2 23.3 0.3 199 205 A G - 0 0 34 2,-0.2 -49,-0.0 -5,-0.1 -5,-0.0 -0.603 47.5 -84.1-144.5-158.7 -9.2 24.4 -3.4 200 206 A D S S+ 0 0 165 -2,-0.2 -50,-0.1 4,-0.1 2,-0.0 0.265 87.9 113.2-108.0 19.0 -11.7 24.3 -6.2 201 207 A D S > S- 0 0 12 -52,-0.1 4,-2.3 -51,-0.1 -52,-0.2 -0.169 82.7 -99.0 -80.2 172.3 -10.8 20.7 -7.3 202 208 A L H > S+ 0 0 0 -54,-3.1 4,-2.4 2,-0.2 5,-0.2 0.880 119.6 50.8 -63.0 -39.9 -12.9 17.6 -7.1 203 209 A I H > S+ 0 0 1 -55,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.945 110.3 48.2 -70.3 -45.7 -11.4 16.3 -3.8 204 210 A S H > S+ 0 0 5 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.926 112.3 52.2 -55.3 -45.0 -11.9 19.6 -2.0 205 211 A A H X S+ 0 0 13 -4,-2.3 4,-0.5 1,-0.2 3,-0.5 0.921 109.8 47.3 -61.6 -37.3 -15.5 19.6 -3.3 206 212 A L H >< S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.914 105.3 61.0 -69.3 -40.4 -16.1 16.1 -2.0 207 213 A I H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.786 115.8 31.6 -52.4 -31.8 -14.6 17.0 1.4 208 214 A T H 3< S+ 0 0 102 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.340 90.3 124.5-113.7 8.7 -17.3 19.6 1.9 209 215 A T S << S- 0 0 13 -3,-1.0 2,-0.5 -4,-0.5 7,-0.1 -0.189 76.7 -90.0 -61.4 164.6 -20.1 18.0 0.0 210 216 A E + 0 0 120 -115,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.652 46.7 180.0 -80.8 127.4 -23.3 17.5 1.9 211 217 A D > + 0 0 45 -2,-0.5 3,-1.1 1,-0.1 5,-0.1 -0.695 9.6 170.2-138.9 78.4 -23.2 14.1 3.6 212 218 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.649 80.5 50.8 -33.3 -42.3 -26.5 13.4 5.6 213 219 A D T 3 S- 0 0 113 -3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.122 107.4-116.2-168.7 -35.4 -25.6 10.2 6.1 214 220 A G S < S+ 0 0 59 -3,-1.1 -3,-0.0 2,-0.1 0, 0.0 0.483 71.5 122.4 96.2 9.9 -22.0 10.1 7.4 215 221 A V + 0 0 23 1,-0.1 2,-1.4 5,-0.0 5,-0.2 0.666 39.7 87.8 -91.2 -20.4 -20.2 8.4 4.6 216 222 A V + 0 0 20 4,-0.1 2,-0.2 -7,-0.1 -1,-0.1 -0.594 52.0 141.4 -88.3 90.1 -17.5 10.6 3.3 217 223 A D S > S- 0 0 86 -2,-1.4 4,-2.5 1,-0.0 5,-0.2 -0.545 71.5 -83.4-109.7-178.3 -14.4 9.8 5.4 218 224 A D H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 129.7 53.6 -57.4 -38.8 -10.8 9.6 4.3 219 225 A M H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 108.6 47.7 -60.3 -46.7 -11.4 6.0 3.2 220 226 A F H > S+ 0 0 1 -5,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 114.1 48.4 -63.8 -40.9 -14.3 6.9 1.0 221 227 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.883 111.1 49.3 -65.9 -41.5 -12.3 9.7 -0.5 222 228 A M H X S+ 0 0 37 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.873 111.9 49.0 -65.2 -41.1 -9.3 7.5 -1.2 223 229 A N H X S+ 0 0 24 -4,-2.5 4,-2.4 -145,-0.3 5,-0.2 0.914 113.4 46.2 -63.7 -41.3 -11.4 4.9 -2.8 224 230 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.942 113.9 47.7 -69.4 -45.1 -13.2 7.4 -5.1 225 231 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 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