==== 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 3E5J . 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 . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 67.7 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 . 32 8.2 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 . 1 0.3 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 . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 39.5 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 1 2 2 0 0 3 0 0 3 0 0 0 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 . 1 3 2 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 . 2 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 0 182 0, 0.0 3,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 33.7 27.5 17.4 21.9 2 8 A A - 0 0 19 1,-0.1 30,-0.2 29,-0.1 29,-0.2 -0.371 360.0 -81.2 -62.4 153.3 24.8 19.5 23.6 3 9 A P - 0 0 97 0, 0.0 29,-2.4 0, 0.0 -1,-0.1 -0.241 49.2-105.5 -58.0 147.4 23.7 17.6 26.7 4 10 A T B -a 32 0A 108 27,-0.2 29,-0.2 1,-0.1 3,-0.0 -0.373 46.6 -89.8 -67.7 152.4 21.2 14.8 26.3 5 11 A V - 0 0 31 27,-1.3 -1,-0.1 1,-0.1 2,-0.1 -0.473 47.2-114.1 -64.0 128.9 17.6 15.6 27.4 6 12 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.393 32.8-106.0 -62.8 139.9 17.2 14.7 31.1 7 13 A K - 0 0 151 1,-0.2 3,-0.1 -2,-0.1 -3,-0.0 -0.524 27.1-154.1 -67.7 127.6 14.8 11.9 31.6 8 14 A A - 0 0 4 1,-0.3 10,-2.6 -2,-0.3 11,-0.4 0.884 66.2 -21.7 -71.3 -43.3 11.6 13.4 33.1 9 15 A R - 0 0 25 7,-0.2 -1,-0.3 8,-0.2 0, 0.0 -0.966 46.2-128.9-166.1 157.9 10.3 10.3 34.9 10 16 A S S S+ 0 0 79 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.506 99.1 25.7 -89.3 -6.2 10.6 6.6 34.9 11 17 A C S > S- 0 0 25 4,-0.1 3,-1.5 3,-0.1 -1,-0.2 -0.970 76.1-126.0-159.5 136.6 6.9 6.0 34.8 12 18 A P T 3 S+ 0 0 3 0, 0.0 231,-0.0 0, 0.0 -2,-0.0 0.594 107.0 65.2 -65.2 -11.0 4.0 8.2 33.5 13 19 A F T 3 S+ 0 0 16 2,-0.1 307,-0.1 259,-0.0 259,-0.0 0.522 92.2 75.5 -91.8 -6.9 2.3 8.1 36.9 14 20 A L S < S- 0 0 82 -3,-1.5 -3,-0.1 1,-0.1 0, 0.0 -0.672 96.3 -92.3 -98.6 157.8 5.1 10.0 38.7 15 21 A P - 0 0 35 0, 0.0 2,-1.8 0, 0.0 3,-0.3 -0.403 37.0-117.2 -65.1 146.7 5.7 13.7 38.5 16 22 A P > + 0 0 3 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.261 57.9 151.7 -80.4 55.1 8.2 14.6 35.7 17 23 A D G >> + 0 0 95 -2,-1.8 3,-0.9 1,-0.3 4,-0.5 0.715 56.2 73.9 -57.7 -24.4 10.7 15.9 38.3 18 24 A G G 34 S+ 0 0 39 -10,-2.6 -1,-0.3 -3,-0.3 4,-0.2 0.661 99.9 42.5 -64.4 -20.1 13.7 15.1 36.1 19 25 A I G <> S+ 0 0 0 -3,-1.7 4,-2.1 -11,-0.4 -1,-0.2 0.498 90.6 89.9-102.5 -5.7 13.0 18.0 33.7 20 26 A A H <> S+ 0 0 20 -3,-0.9 4,-2.6 -4,-0.4 5,-0.2 0.878 83.2 52.0 -59.9 -46.9 12.1 20.6 36.4 21 27 A D H X S+ 0 0 138 -4,-0.5 4,-2.2 1,-0.2 5,-0.3 0.929 111.8 46.1 -63.2 -43.1 15.7 22.0 37.0 22 28 A I H > S+ 0 0 44 -4,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.913 112.7 50.8 -63.9 -43.4 16.2 22.6 33.2 23 29 A R H < S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 111.4 48.0 -60.9 -41.7 12.9 24.3 32.9 24 30 A A H < S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.905 124.2 30.0 -67.8 -39.8 13.5 26.5 35.9 25 31 A A H < S+ 0 0 87 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.899 136.1 13.3 -86.2 -44.6 17.0 27.6 34.7 26 32 A A < + 0 0 30 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 -0.633 54.7 173.9-143.4 75.0 16.9 27.5 30.9 27 33 A P S S+ 0 0 34 0, 0.0 16,-1.9 0, 0.0 17,-1.0 0.591 86.4 41.4 -64.5 -11.8 13.3 27.1 29.4 28 34 A V E S+ B 0 42A 14 14,-0.2 2,-0.3 262,-0.1 14,-0.2 -0.964 86.0 135.3-131.3 118.3 15.0 27.6 25.9 29 35 A T E - B 0 41A 40 12,-2.1 12,-3.4 -2,-0.4 2,-0.4 -0.905 53.1 -94.6-152.5 172.8 18.3 25.6 25.6 30 36 A R E + B 0 40A 77 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.833 45.0 164.7 -98.7 139.4 20.3 23.3 23.3 31 37 A A E - B 0 39A 3 8,-2.3 8,-2.0 -2,-0.4 2,-0.5 -0.972 37.3-118.6-147.3 158.0 20.1 19.6 23.7 32 38 A T E -aB 4 38A 21 -29,-2.4 -27,-1.3 -2,-0.3 6,-0.3 -0.888 34.4-151.8 -98.4 129.9 21.0 16.4 21.9 33 39 A F > - 0 0 25 4,-3.0 3,-2.7 -2,-0.5 4,-0.1 -0.470 33.2 -87.7 -99.7 168.8 17.9 14.2 21.2 34 40 A T T 3 S+ 0 0 107 1,-0.3 344,-0.0 -2,-0.2 -1,-0.0 0.790 123.0 60.4 -49.4 -35.4 17.6 10.4 20.7 35 41 A S T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.617 119.6-108.5 -69.1 -10.2 18.4 10.5 17.0 36 42 A G S < S+ 0 0 55 -3,-2.7 2,-0.3 1,-0.4 -2,-0.1 0.347 81.8 121.0 98.3 -4.5 21.7 12.0 17.9 37 43 A H - 0 0 57 -5,-0.1 -4,-3.0 -4,-0.1 -1,-0.4 -0.667 58.0-126.9 -95.9 151.8 20.9 15.4 16.5 38 44 A E E +B 32 0A 63 -2,-0.3 2,-0.3 -6,-0.3 261,-0.2 -0.614 35.2 155.7 -91.8 149.9 20.8 18.7 18.4 39 45 A A E -B 31 0A 0 -8,-2.0 -8,-2.3 -2,-0.2 2,-0.5 -0.944 50.7 -77.5-158.9 169.3 17.9 21.1 18.5 40 46 A W E -Bc 30 300A 34 259,-2.5 261,-3.5 -2,-0.3 2,-0.5 -0.711 42.9-150.8 -75.4 123.7 16.5 23.8 20.7 41 47 A L E -Bc 29 301A 0 -12,-3.4 -12,-2.1 -2,-0.5 2,-0.5 -0.893 11.2-167.3 -98.0 121.4 14.7 22.2 23.7 42 48 A V E +Bc 28 302A 0 259,-2.5 261,-3.4 -2,-0.5 -14,-0.2 -0.960 22.3 153.7-120.2 120.6 11.8 24.4 24.9 43 49 A T + 0 0 0 -16,-1.9 2,-0.1 -2,-0.5 -15,-0.1 0.575 37.3 100.7-123.4 -18.6 10.3 23.5 28.3 44 50 A G > - 0 0 1 -17,-1.0 4,-2.8 1,-0.1 5,-0.3 -0.490 70.0-131.1 -76.2 146.4 8.8 26.6 29.9 45 51 A Y H > S+ 0 0 27 262,-0.2 4,-2.8 1,-0.2 5,-0.2 0.943 106.7 49.0 -61.0 -47.7 5.0 26.9 29.6 46 52 A E H > S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 115.6 43.1 -59.5 -43.3 5.2 30.5 28.3 47 53 A E H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 112.6 51.0 -75.0 -38.6 7.8 29.7 25.7 48 54 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.943 112.8 48.0 -59.5 -46.1 6.2 26.4 24.5 49 55 A R H X S+ 0 0 60 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.931 112.3 48.5 -59.8 -43.5 2.9 28.3 24.1 50 56 A A H X S+ 0 0 40 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.871 112.2 50.0 -65.4 -37.2 4.7 31.1 22.2 51 57 A L H >< S+ 0 0 0 -4,-2.4 3,-0.7 2,-0.2 6,-0.2 0.937 111.5 46.1 -62.4 -52.2 6.5 28.5 19.9 52 58 A L H 3< S+ 0 0 10 -4,-2.6 284,-0.5 1,-0.2 285,-0.3 0.858 112.1 53.0 -63.5 -35.4 3.3 26.6 19.0 53 59 A R H 3< S+ 0 0 154 -4,-2.0 2,-0.7 -5,-0.3 -1,-0.2 0.736 92.2 87.4 -67.8 -25.0 1.5 29.9 18.3 54 60 A D X< - 0 0 45 -4,-0.9 3,-1.9 -3,-0.7 -1,-0.1 -0.693 61.0-159.8 -92.4 111.5 4.1 31.2 15.9 55 61 A S T 3 S+ 0 0 107 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.1 0.528 82.3 85.2 -66.4 -4.2 3.7 30.1 12.3 56 62 A S T 3 S+ 0 0 6 1,-0.1 228,-3.5 -5,-0.1 2,-0.6 0.558 82.6 67.5 -68.4 -13.8 7.5 30.9 11.8 57 63 A F E < S-D 283 0A 6 -3,-1.9 2,-0.3 -6,-0.2 226,-0.2 -0.956 76.4-163.3-111.5 112.3 8.1 27.4 13.1 58 64 A S E -D 282 0A 42 224,-2.6 224,-2.5 -2,-0.6 2,-0.3 -0.750 25.0-109.5 -96.2 143.9 6.8 24.8 10.6 59 65 A V E +D 281 0A 25 -2,-0.3 222,-0.3 222,-0.2 221,-0.1 -0.526 37.5 169.6 -71.3 128.5 6.3 21.1 11.7 60 66 A Q E S+ 0 0 101 220,-3.5 221,-0.2 1,-0.3 -1,-0.2 0.744 73.9 26.6-104.8 -37.8 8.8 18.7 10.2 61 67 A V E S-D 280 0A 77 219,-1.7 219,-1.0 19,-0.0 -1,-0.3 -0.975 88.3-129.6-129.7 116.3 8.1 15.5 12.1 62 68 A P - 0 0 10 0, 0.0 218,-0.2 0, 0.0 5,-0.1 -0.157 44.1 -65.2 -69.6 163.8 4.5 15.1 13.5 63 69 A H > - 0 0 40 1,-0.1 3,-1.7 216,-0.1 4,-0.3 -0.122 52.5-126.8 -44.7 128.3 3.5 14.3 17.0 64 70 A A G > S+ 0 0 37 213,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.817 103.9 52.1 -60.2 -37.1 4.8 10.7 17.6 65 71 A L G 3 S+ 0 0 0 1,-0.2 167,-0.3 209,-0.1 -1,-0.3 0.619 101.6 62.6 -77.4 -10.2 1.6 9.1 18.8 66 72 A H G < S+ 0 0 39 -3,-1.7 2,-0.3 165,-0.1 -1,-0.2 0.472 99.2 61.4 -92.8 -2.4 -0.4 10.4 15.7 67 73 A T < - 0 0 33 -3,-1.0 2,-0.3 -4,-0.3 3,-0.0 -0.903 63.8-153.6-124.8 150.5 1.6 8.5 13.1 68 74 A Q > - 0 0 23 -2,-0.3 3,-1.6 1,-0.0 96,-0.1 -0.952 24.7-122.1-122.9 149.7 2.3 4.7 12.5 69 75 A D T 3 S+ 0 0 142 -2,-0.3 105,-0.1 1,-0.3 -1,-0.0 0.617 107.1 53.9 -23.5 -69.6 5.4 3.3 10.8 70 76 A G T 3 S+ 0 0 14 103,-0.1 -1,-0.3 93,-0.1 107,-0.2 -0.421 78.6 138.0 139.6 -68.3 3.4 2.1 8.7 71 77 A V < 0 0 62 -3,-1.6 107,-0.1 1,-0.3 106,-0.1 -0.537 360.0 360.0 -79.2 151.7 0.9 4.2 6.8 72 78 A V 0 0 113 105,-0.2 -1,-0.3 -2,-0.2 109,-0.2 -0.893 360.0 360.0 -67.9 360.0 -0.4 4.6 4.1 73 ! 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 74 83 A G > 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-150.9 -0.1 14.6 0.7 75 84 A R T 3 + 0 0 95 1,-0.3 145,-0.2 2,-0.1 146,-0.2 -0.183 360.0 15.6 -50.7 123.6 -3.2 16.8 0.3 76 85 A G T 3 S+ 0 0 1 9,-0.2 -1,-0.3 144,-0.1 148,-0.1 0.335 97.6 96.3 94.7 -5.5 -5.7 16.2 3.1 77 86 A S < - 0 0 6 -3,-2.2 2,-3.1 1,-0.1 -2,-0.1 0.734 58.0-170.0 -87.7 -21.6 -3.3 14.5 5.6 78 87 A L S > S+ 0 0 13 -4,-0.4 3,-0.9 1,-0.2 -1,-0.1 -0.254 75.5 67.4 69.7 -55.2 -2.5 17.7 7.5 79 88 A L T 3 S+ 0 0 43 -2,-3.1 2,-0.4 1,-0.3 -1,-0.2 0.893 105.7 38.5 -59.8 -48.9 0.3 15.9 9.5 80 89 A W T 3 S+ 0 0 147 -6,-0.2 2,-0.5 -19,-0.1 -1,-0.3 -0.309 96.8 119.6-102.1 46.9 2.5 15.4 6.5 81 90 A Q < - 0 0 16 -3,-0.9 -22,-0.2 -2,-0.4 2,-0.1 -0.927 49.7-151.7-130.6 117.8 1.8 18.8 4.9 82 91 A D >> - 0 0 122 -2,-0.5 4,-1.2 1,-0.1 3,-0.5 -0.344 46.2 -60.8 -71.1 152.6 3.9 21.7 4.0 83 92 A E T 34 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.2 -25,-0.0 -0.523 109.9 21.7 -73.4 147.4 2.4 25.2 4.0 84 93 A P T 3> S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 -0.972 121.4 56.4 -94.3 4.5 0.2 26.8 2.5 85 94 A E H <> S+ 0 0 73 -3,-0.5 4,-2.9 1,-0.2 5,-0.4 0.841 100.9 61.9 -62.9 -36.8 -1.6 23.6 1.6 86 95 A H H X S+ 0 0 5 -4,-1.2 4,-2.8 1,-0.2 5,-0.2 0.957 105.5 46.1 -52.3 -52.7 -1.8 22.7 5.3 87 96 A T H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 117.3 40.7 -58.8 -48.2 -3.9 25.8 6.0 88 97 A S H X S+ 0 0 51 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.864 116.4 49.1 -74.7 -34.7 -6.3 25.4 3.1 89 98 A D H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.890 111.5 50.1 -70.9 -39.6 -6.6 21.6 3.5 90 99 A R H X S+ 0 0 45 -4,-2.8 4,-3.1 -5,-0.4 -2,-0.2 0.921 109.3 51.8 -59.1 -43.4 -7.2 21.9 7.2 91 100 A K H X S+ 0 0 158 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.923 110.9 48.5 -61.8 -42.7 -9.9 24.6 6.5 92 101 A L H >X S+ 0 0 18 -4,-2.1 3,-0.9 2,-0.2 4,-0.6 0.955 115.0 43.3 -58.5 -54.5 -11.6 22.2 4.0 93 102 A L H >X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.2 3,-1.4 0.898 110.7 55.5 -58.7 -46.1 -11.5 19.2 6.5 94 103 A A H 3< S+ 0 0 39 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.664 94.0 71.0 -64.1 -15.7 -12.7 21.4 9.4 95 104 A K H << S+ 0 0 115 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.820 118.4 17.4 -68.4 -30.2 -15.7 22.5 7.3 96 105 A E H << S+ 0 0 28 -3,-1.4 2,-1.5 -4,-0.6 -2,-0.2 0.699 117.4 65.5-114.5 -34.0 -17.1 19.0 7.8 97 106 A F S < S+ 0 0 6 -4,-3.2 2,-0.2 -5,-0.2 -1,-0.2 -0.615 81.3 158.6 -88.1 76.3 -15.2 17.6 10.7 98 107 A T > - 0 0 42 -2,-1.5 4,-1.8 -3,-0.2 5,-0.1 -0.489 60.6-111.9-100.8 164.1 -16.7 20.1 13.0 99 108 A V H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.882 120.8 59.8 -62.3 -37.1 -17.1 20.3 16.8 100 109 A R H > S+ 0 0 213 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 104.4 48.2 -54.3 -47.9 -20.9 20.0 16.0 101 110 A R H 4 S+ 0 0 54 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.863 111.8 50.7 -60.7 -39.1 -20.2 16.6 14.3 102 111 A M H >< S+ 0 0 3 -4,-1.8 3,-1.4 2,-0.2 -2,-0.2 0.945 111.0 46.4 -65.2 -48.5 -18.1 15.4 17.3 103 112 A Q H >< S+ 0 0 93 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.886 104.9 63.3 -58.9 -37.6 -20.9 16.4 19.8 104 113 A A T 3< S+ 0 0 65 -4,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.704 93.9 64.2 -62.9 -18.3 -23.4 14.6 17.5 105 114 A L T <> S+ 0 0 12 -3,-1.4 4,-2.9 -4,-0.5 -1,-0.3 0.439 70.4 100.3 -85.5 0.8 -21.4 11.4 18.2 106 115 A R H <> S+ 0 0 97 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 0.919 83.5 46.4 -55.0 -49.4 -22.2 11.2 21.9 107 116 A P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.903 113.6 50.4 -61.2 -36.3 -25.0 8.7 21.6 108 117 A N H > S+ 0 0 30 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.926 111.8 47.9 -60.9 -46.9 -22.8 6.6 19.2 109 118 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.914 111.0 50.1 -63.0 -44.4 -19.9 6.7 21.8 110 119 A Q H X S+ 0 0 55 -4,-2.9 4,-3.1 -5,-0.2 5,-0.2 0.932 112.0 48.7 -58.1 -48.4 -22.2 5.8 24.7 111 120 A R H X S+ 0 0 125 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.941 113.5 46.2 -53.8 -53.3 -23.5 2.8 22.6 112 121 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.938 114.1 47.2 -59.4 -48.7 -20.0 1.7 21.7 113 122 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.944 114.1 47.7 -59.6 -47.9 -18.7 2.0 25.3 114 123 A D H X S+ 0 0 44 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.890 109.4 53.9 -60.8 -39.8 -21.7 0.2 26.7 115 124 A E H X S+ 0 0 80 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.927 110.2 46.7 -61.0 -45.4 -21.3 -2.6 24.1 116 125 A H H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.894 112.7 49.2 -65.8 -39.7 -17.7 -3.2 25.1 117 126 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.812 106.2 57.2 -70.0 -29.6 -18.6 -3.2 28.8 118 127 A D H X S+ 0 0 87 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.950 108.8 46.4 -60.1 -50.1 -21.4 -5.7 28.1 119 128 A A H X S+ 0 0 64 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.914 113.3 50.7 -57.6 -45.4 -18.9 -8.1 26.6 120 129 A I H >X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 3,-0.6 0.945 114.6 39.4 -60.2 -53.3 -16.5 -7.5 29.5 121 130 A E H 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 107.9 64.1 -78.7 -16.4 -18.9 -8.2 32.3 122 131 A A H 3< S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.837 116.2 30.8 -63.6 -35.1 -20.5 -11.1 30.4 123 132 A R H << S- 0 0 161 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.757 107.9-149.5 -94.5 -24.5 -17.2 -12.8 30.7 124 133 A G < + 0 0 22 -4,-2.0 265,-0.1 -5,-0.1 -3,-0.1 0.151 27.0 12.9 66.1 159.4 -15.7 -11.6 34.0 125 134 A G S S+ 0 0 40 2,-0.1 264,-0.1 265,-0.1 2,-0.1 -0.031 91.9 32.5 110.6 76.0 -13.3 -10.9 35.7 126 135 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 263,-0.2 0.517 71.8 165.6 -82.4 158.1 -10.3 -10.4 35.5 127 136 A V E -F 388 0B 5 261,-1.8 261,-2.3 259,-0.1 2,-0.9 -0.953 43.9-111.9-134.6 155.1 -9.9 -8.9 32.0 128 137 A D E > -F 387 0B 40 -2,-0.3 4,-1.9 259,-0.2 5,-0.2 -0.799 25.5-161.6 -82.9 108.3 -7.2 -7.0 30.1 129 138 A L H >>S+ 0 0 2 257,-2.9 5,-3.1 -2,-0.9 4,-0.7 0.710 83.9 61.5 -64.2 -20.6 -8.7 -3.5 29.7 130 139 A V H >4>S+ 0 0 12 3,-0.2 5,-2.7 4,-0.2 3,-0.6 0.989 111.1 33.2 -69.1 -57.8 -6.3 -2.7 26.9 131 140 A K H 345S+ 0 0 152 1,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.911 126.0 41.3 -65.1 -41.8 -7.4 -5.4 24.4 132 141 A T H 3<5S- 0 0 31 -4,-1.9 -1,-0.2 3,-0.1 -2,-0.2 0.530 136.3 -4.5 -85.2 -10.2 -11.1 -5.5 25.3 133 142 A F T S+ 0 0 15 -6,-0.4 4,-1.4 -3,-0.2 -2,-0.2 0.880 101.1 58.0 -91.5 -45.2 -11.2 -1.2 20.7 137 146 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.917 100.5 53.6 -53.7 -53.1 -13.4 1.8 21.5 138 147 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.861 108.6 47.6 -61.8 -37.0 -11.5 4.5 19.6 139 148 A S H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.839 110.8 52.9 -72.8 -30.3 -11.4 2.8 16.2 140 149 A M H X S+ 0 0 19 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.842 105.0 54.2 -73.2 -31.0 -15.1 1.9 16.5 141 150 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.947 111.2 46.3 -61.8 -44.9 -16.0 5.6 17.2 142 151 A I H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.902 106.1 58.7 -63.6 -41.0 -14.1 6.4 13.9 143 152 A S H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.941 109.8 44.7 -51.0 -46.4 -15.9 3.6 12.1 144 153 A D H ><5S+ 0 0 26 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.920 108.7 55.2 -67.2 -43.0 -19.2 5.4 13.1 145 154 A L H 3<5S+ 0 0 3 -4,-2.3 54,-2.6 1,-0.3 55,-0.4 0.834 110.3 48.1 -53.0 -35.6 -17.8 8.8 12.0 146 155 A F T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 52,-0.2 -2,-0.2 0.314 117.1-114.6 -92.5 6.2 -17.0 7.2 8.6 147 156 A G T < 5 + 0 0 30 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.692 51.1 171.0 71.1 20.9 -20.5 5.7 8.3 148 157 A V < - 0 0 12 -5,-2.6 -1,-0.2 -6,-0.2 5,-0.1 -0.497 33.9-121.4 -65.8 123.9 -19.3 2.1 8.4 149 158 A P > - 0 0 45 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.266 23.3-110.1 -64.0 154.6 -22.4 -0.3 8.7 150 159 A V G > S+ 0 0 113 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.813 114.7 69.3 -55.6 -25.7 -22.5 -2.6 11.8 151 160 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.599 104.4 37.1 -25.0 -57.5 -21.8 -5.4 9.1 152 161 A R G <> S+ 0 0 95 -3,-0.8 4,-1.7 2,-0.1 -1,-0.3 -0.280 84.1 97.4 152.4 -39.1 -18.7 -4.4 8.5 153 162 A R H <> S+ 0 0 28 -3,-1.2 4,-3.4 -4,-0.3 5,-0.3 0.854 80.5 63.1 -63.4 -41.3 -17.3 -3.3 11.8 154 163 A A H > S+ 0 0 66 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.929 108.2 41.5 -53.3 -47.6 -15.6 -6.6 12.4 155 164 A E H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 114.6 50.8 -65.9 -47.5 -13.4 -6.0 9.3 156 165 A F H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.927 111.3 48.8 -57.0 -46.3 -12.8 -2.4 10.1 157 166 A Q H X S+ 0 0 26 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.919 111.7 48.6 -63.4 -45.7 -11.7 -3.2 13.7 158 167 A D H X S+ 0 0 105 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.949 113.3 45.7 -58.3 -52.2 -9.3 -6.0 12.7 159 168 A I H X S+ 0 0 6 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.910 115.9 45.9 -61.1 -45.2 -7.6 -3.9 10.0 160 169 A A H X S+ 0 0 2 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.891 112.2 52.6 -63.6 -41.6 -7.3 -0.9 12.3 161 170 A E H >X S+ 0 0 49 -4,-2.7 4,-1.2 -5,-0.3 3,-1.1 0.939 106.4 51.3 -59.2 -48.7 -6.1 -3.1 15.1 162 171 A A H 3< S+ 0 0 11 -4,-2.8 4,-0.3 1,-0.3 -1,-0.2 0.803 105.3 59.9 -59.9 -27.4 -3.3 -4.7 12.9 163 172 A M H 3< S+ 0 0 11 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.789 110.2 38.8 -70.5 -34.0 -2.2 -1.1 12.2 164 173 A M H << S+ 0 0 6 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.648 90.1 108.8 -83.3 -19.0 -1.6 -0.4 15.8 165 174 A R < - 0 0 115 -4,-1.2 -2,-0.1 -5,-0.1 -1,-0.1 0.653 51.3-177.4 -40.7 -55.8 -0.1 -3.8 16.5 166 175 A V + 0 0 62 -4,-0.3 3,-0.0 -3,-0.2 -3,-0.0 0.668 62.6 72.8 8.1 113.6 3.7 -3.3 17.0 167 176 A D S S+ 0 0 152 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.096 73.7 122.6 -85.2 118.8 5.6 -5.5 17.4 168 177 A Q - 0 0 59 -2,-0.0 -2,-0.1 3,-0.0 0, 0.0 -0.968 64.6-105.2-135.5 143.8 5.2 -6.4 13.7 169 178 A D > - 0 0 111 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.232 39.7 -93.0 -70.2 158.7 8.3 -6.6 11.4 170 179 A A H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.857 127.7 40.3 -30.1 -62.1 9.0 -3.9 8.7 171 180 A A H > S+ 0 0 66 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.978 114.1 50.2 -48.8 -70.3 7.0 -6.1 6.0 172 181 A A H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 111.4 53.3 -41.1 -40.1 4.1 -7.1 8.2 173 182 A T H X S+ 0 0 17 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.946 110.7 43.2 -63.9 -47.5 3.9 -3.5 9.1 174 183 A E H X S+ 0 0 128 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.888 111.1 55.8 -65.8 -40.2 3.6 -2.4 5.4 175 184 A A H X S+ 0 0 48 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.867 106.2 51.2 -60.7 -37.7 1.2 -5.2 4.7 176 185 A A H X S+ 0 0 9 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.922 110.7 49.3 -63.3 -43.3 -1.1 -3.9 7.4 177 186 A G H X S+ 0 0 1 -4,-1.8 4,-2.8 -107,-0.2 -2,-0.2 0.900 109.0 51.7 -61.3 -42.2 -0.9 -0.4 5.9 178 187 A M H X S+ 0 0 128 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.863 109.1 50.5 -66.4 -35.0 -1.7 -1.7 2.4 179 188 A R H X S+ 0 0 145 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 110.8 48.9 -67.7 -39.2 -4.8 -3.5 3.8 180 189 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.951 109.7 52.9 -64.3 -47.3 -6.0 -0.4 5.5 181 190 A G H X S+ 0 0 16 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.888 108.9 48.9 -49.5 -46.9 -5.4 1.6 2.3 182 191 A G H X S+ 0 0 33 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.910 111.4 49.9 -61.1 -44.6 -7.6 -0.9 0.3 183 192 A L H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.948 113.3 45.6 -59.7 -50.2 -10.4 -0.7 2.9 184 193 A L H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.891 110.2 53.4 -65.5 -40.7 -10.4 3.1 2.9 185 194 A Y H X S+ 0 0 113 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.939 112.7 44.5 -55.3 -48.6 -10.3 3.3 -0.9 186 195 A Q H X S+ 0 0 117 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.870 110.3 56.2 -64.3 -36.3 -13.3 1.0 -1.1 187 196 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.947 106.7 48.9 -61.1 -47.3 -15.0 3.0 1.7 188 197 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 110.8 50.6 -59.7 -44.7 -14.7 6.2 -0.3 189 198 A Q H X S+ 0 0 62 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.915 110.6 49.6 -58.7 -43.4 -16.1 4.5 -3.4 190 199 A E H X S+ 0 0 83 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.861 108.9 50.8 -65.5 -39.7 -19.1 3.2 -1.5 191 200 A R H < S+ 0 0 20 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.855 111.4 49.2 -67.9 -35.0 -19.9 6.6 0.1 192 201 A R H < S+ 0 0 98 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.945 113.1 47.3 -61.5 -49.0 -19.8 8.1 -3.4 193 202 A A H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.890 134.2 13.1 -61.9 -45.8 -22.1 5.3 -4.6 194 203 A N S < S- 0 0 93 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.711 81.7-155.9-133.9 97.8 -24.5 5.8 -1.7 195 204 A P + 0 0 94 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.204 18.3 173.0 -63.4 151.3 -23.9 9.0 0.3 196 205 A G - 0 0 40 2,-0.1 -49,-0.0 -5,-0.0 -5,-0.0 -0.563 49.6 -77.1-137.2-156.2 -25.1 9.2 4.0 197 206 A D S S+ 0 0 158 -2,-0.2 -50,-0.1 4,-0.1 2,-0.0 0.227 90.0 111.0 -95.7 9.4 -24.8 11.5 7.0 198 207 A D S > S- 0 0 15 -52,-0.1 4,-1.9 -51,-0.1 -52,-0.2 -0.241 82.5-102.1 -84.9 174.7 -21.2 10.6 7.8 199 208 A L H > S+ 0 0 1 -54,-2.6 4,-2.4 2,-0.2 5,-0.2 0.864 118.1 51.2 -63.5 -40.9 -18.0 12.6 7.5 200 209 A I H > S+ 0 0 0 -55,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.946 111.4 47.5 -66.3 -46.6 -16.8 11.0 4.2 201 210 A S H > S+ 0 0 6 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.906 111.5 52.8 -53.8 -44.4 -20.1 11.6 2.5 202 211 A A H < S+ 0 0 13 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.893 109.8 47.1 -65.5 -41.2 -20.0 15.2 3.8 203 212 A L H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.890 105.1 59.4 -65.6 -38.7 -16.5 15.8 2.4 204 213 A I H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 116.0 36.5 -56.8 -27.1 -17.4 14.3 -1.0 205 214 A T T 3< S+ 0 0 117 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.348 91.5 122.9-112.8 4.7 -20.0 17.0 -1.2 206 215 A T S < S- 0 0 13 -3,-1.3 2,-0.4 -4,-0.3 7,-0.1 -0.174 76.3 -85.4 -71.5 159.2 -18.3 20.0 0.5 207 216 A E + 0 0 152 -115,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.529 56.3 164.4 -67.0 122.0 -17.7 23.4 -1.1 208 217 A D > + 0 0 31 -2,-0.4 3,-2.6 1,-0.2 5,-0.1 -0.579 9.2 172.2-148.1 70.1 -14.5 22.9 -3.1 209 218 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.579 83.8 45.4 -26.4 -67.1 -14.0 25.8 -5.7 210 219 A D T 3 S- 0 0 124 -3,-0.1 -3,-0.0 0, 0.0 -2,-0.0 -0.436 107.3-121.0 120.6 -49.1 -10.9 24.7 -6.4 211 220 A G < + 0 0 54 -3,-2.6 -3,-0.0 1,-0.1 3,-0.0 0.700 64.0 132.5 64.7 30.7 -11.2 21.0 -6.8 212 221 A V + 0 0 20 1,-0.2 2,-1.9 2,-0.0 5,-0.3 0.744 47.3 87.7 -84.2 -22.2 -8.8 19.7 -4.2 213 222 A V + 0 0 13 4,-0.1 -1,-0.2 -5,-0.1 2,-0.1 -0.487 57.0 141.4 -85.5 80.2 -11.1 17.1 -2.7 214 223 A D S > S- 0 0 84 -2,-1.9 4,-2.4 -3,-0.0 5,-0.2 -0.410 71.6 -82.9-101.7-176.3 -10.5 14.0 -4.8 215 224 A D H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 130.8 53.6 -57.6 -37.0 -10.3 10.3 -3.8 216 225 A M H > S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.955 108.7 48.2 -60.7 -51.2 -6.6 10.9 -2.9 217 226 A F H > S+ 0 0 0 -5,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.920 113.1 48.8 -52.0 -46.8 -7.6 13.8 -0.6 218 227 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.883 111.8 47.5 -68.1 -39.2 -10.3 11.7 1.0 219 228 A M H X S+ 0 0 27 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.897 112.5 50.5 -64.9 -40.9 -8.1 8.6 1.6 220 229 A N H X S+ 0 0 25 -4,-2.7 4,-2.3 -145,-0.2 -2,-0.2 0.945 114.1 43.9 -63.1 -44.2 -5.4 10.9 3.1 221 230 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.912 115.4 47.2 -66.2 -45.1 -8.0 12.5 5.4 222 231 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.918 113.9 47.4 -64.3 -46.5 -9.7 9.3 6.5 223 232 A G H X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.922 113.0 50.0 -57.8 -47.2 -6.3 7.5 7.1 224 233 A T H X S+ 0 0 21 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.913 112.0 45.5 -61.2 -45.8 -5.0 10.5 9.1 225 234 A L H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.913 115.5 46.1 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