==== 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 12-JUN-07 2Q9F . COMPND 2 MOLECULE: CYTOCHROME P450 46A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.WHITE,N.V.MAST,E.F.JOHNSON,C.D.STOUT,I.A.PIKULEVA . 433 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.6 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 2 0 3 0 0 1 1 2 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 2 1 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 . 3 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 59 A V >> 0 0 91 0, 0.0 4,-1.3 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 108.2 28.3 -12.2 24.7 2 60 A L H 3> + 0 0 23 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.860 360.0 59.9 -59.0 -42.2 25.2 -10.4 23.9 3 61 A Q H 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.843 102.8 53.5 -57.3 -33.1 25.3 -11.4 20.2 4 62 A D H <> S+ 0 0 54 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.848 105.0 53.3 -70.8 -33.9 25.2 -15.0 21.2 5 63 A V H X S+ 0 0 54 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.923 108.7 51.0 -62.5 -43.3 22.1 -14.4 23.2 6 64 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.895 108.7 51.5 -60.3 -43.0 20.5 -12.8 20.1 7 65 A L H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.940 108.9 50.4 -56.8 -49.9 21.5 -15.9 18.1 8 66 A D H X S+ 0 0 94 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 112.9 46.9 -52.2 -48.1 19.8 -18.2 20.7 9 67 A W H X S+ 0 0 86 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.869 109.2 52.1 -64.8 -41.6 16.7 -16.1 20.5 10 68 A A H X S+ 0 0 3 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.893 112.9 47.4 -60.9 -39.1 16.6 -16.0 16.7 11 69 A K H < S+ 0 0 110 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.906 121.0 34.5 -69.7 -39.4 16.9 -19.8 16.6 12 70 A K H < S+ 0 0 157 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.858 125.7 34.9 -86.1 -35.7 14.2 -20.4 19.2 13 71 A Y H < S- 0 0 137 -4,-3.1 3,-0.3 1,-0.3 -3,-0.2 0.336 105.5-107.8-113.8 2.1 11.7 -17.7 18.6 14 72 A G < - 0 0 28 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.321 49.6 -48.6 113.0 179.8 11.6 -17.1 14.9 15 73 A P S S+ 0 0 45 0, 0.0 15,-2.9 0, 0.0 2,-0.4 0.559 121.8 52.7 -72.4 -9.1 12.8 -14.4 12.4 16 74 A V E +A 29 0A 11 -3,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.929 66.8 172.0-130.3 110.6 11.3 -11.5 14.3 17 75 A V E -A 28 0A 14 11,-2.6 11,-3.4 -2,-0.4 2,-0.2 -0.956 27.6-135.4-130.6 126.2 12.1 -11.1 18.0 18 76 A R E -A 27 0A 130 -2,-0.5 2,-0.3 9,-0.2 9,-0.3 -0.492 27.9-166.3 -73.6 132.9 11.3 -8.2 20.3 19 77 A V E -A 26 0A 1 7,-3.0 7,-2.0 -2,-0.2 3,-0.0 -0.936 22.9-174.3-125.1 158.6 14.3 -7.2 22.4 20 78 A N + 0 0 116 -2,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.200 59.5 99.1-130.9 11.5 14.6 -5.0 25.5 21 79 A V S S+ 0 0 23 5,-0.1 149,-0.7 148,-0.0 2,-0.2 0.666 75.5 68.3 -82.5 -15.8 18.4 -4.7 26.2 22 80 A F S S- 0 0 30 2,-0.3 4,-0.1 147,-0.1 28,-0.0 -0.523 99.0-101.4-100.9 176.1 18.7 -1.3 24.5 23 81 A H S S+ 0 0 81 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.736 110.9 41.4 -72.8 -23.5 17.2 2.0 25.7 24 82 A K S S- 0 0 33 25,-0.0 -2,-0.3 308,-0.0 2,-0.1 -0.931 102.2-100.0-121.1 144.4 14.3 1.8 23.3 25 83 A T + 0 0 77 -2,-0.4 2,-0.3 -4,-0.1 -5,-0.2 -0.412 52.1 176.1 -58.5 136.7 12.4 -1.4 22.5 26 84 A S E -A 19 0A 0 -7,-2.0 -7,-3.0 305,-0.1 2,-0.4 -0.822 23.8-130.9-138.9 175.1 13.7 -2.8 19.3 27 85 A V E -Ab 18 333A 2 305,-2.3 307,-3.1 -2,-0.3 2,-0.5 -0.998 10.6-139.8-133.7 135.1 13.2 -5.9 17.2 28 86 A I E -Ab 17 334A 0 -11,-3.4 -11,-2.6 -2,-0.4 2,-0.5 -0.816 18.6-163.7 -96.8 127.2 15.7 -8.3 15.7 29 87 A V E +A 16 0A 0 305,-2.6 307,-0.4 -2,-0.5 -13,-0.2 -0.938 17.0 166.9-118.8 119.4 14.9 -9.4 12.2 30 88 A T + 0 0 1 -15,-2.9 -14,-0.1 -2,-0.5 -1,-0.1 0.097 34.5 109.4-128.9 22.2 16.6 -12.4 10.8 31 89 A S > - 0 0 5 -16,-0.4 4,-2.0 1,-0.1 3,-0.4 -0.803 66.6-130.9 -94.7 145.1 14.9 -13.7 7.6 32 90 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.841 106.6 58.6 -61.9 -29.5 16.9 -13.1 4.4 33 91 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.894 106.2 46.7 -71.2 -36.6 13.7 -11.6 2.8 34 92 A S H > S+ 0 0 8 -3,-0.4 4,-2.9 2,-0.2 5,-0.4 0.877 109.3 54.4 -67.7 -38.9 13.4 -8.9 5.4 35 93 A V H X>S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.6 0.968 111.4 46.5 -53.2 -52.0 17.1 -8.1 5.0 36 94 A K H X5S+ 0 0 110 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.955 113.6 48.3 -57.9 -49.6 16.5 -7.7 1.3 37 95 A K H <5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.921 120.8 32.0 -59.0 -48.3 13.5 -5.6 1.8 38 96 A F H <5S+ 0 0 1 -4,-2.9 3,-0.4 1,-0.1 6,-0.2 0.825 123.2 40.6 -84.3 -32.7 14.8 -3.2 4.4 39 97 A L H <5S+ 0 0 0 -4,-2.8 337,-0.5 -5,-0.4 338,-0.3 0.800 110.5 56.7 -86.6 -25.3 18.5 -2.8 3.5 40 98 A M S < - 0 0 34 -3,-0.4 3,-1.7 -4,-0.2 -1,-0.0 -0.986 67.5-144.8-127.9 136.9 15.8 0.3 -0.4 42 100 A T T 3 S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.3 31,-0.1 0.510 93.7 83.1 -72.3 -1.9 16.4 3.9 0.2 43 101 A K T 3 S+ 0 0 145 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.807 86.0 63.6 -66.7 -23.0 13.0 4.0 1.7 44 102 A Y < - 0 0 54 -3,-1.7 2,-0.2 -6,-0.2 -1,-0.1 -0.889 69.3-178.2-113.4 129.3 14.5 2.8 4.9 45 103 A N - 0 0 32 -2,-0.5 270,-3.0 270,-0.4 27,-0.1 -0.712 34.6 -77.3-122.5 161.1 17.0 4.8 6.8 46 104 A K B -C 314 0A 20 25,-0.3 2,-0.9 268,-0.3 268,-0.2 -0.239 47.9-111.5 -54.3 143.8 19.0 4.5 10.0 47 105 A D >> - 0 0 1 266,-0.5 4,-3.0 1,-0.2 3,-1.2 -0.700 22.4-159.7 -81.1 110.1 17.3 5.0 13.3 48 106 A S H 3> S+ 0 0 59 -2,-0.9 4,-1.0 1,-0.3 -1,-0.2 0.762 89.6 61.7 -61.6 -25.2 18.6 8.3 14.7 49 107 A K H 34 S+ 0 0 96 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.812 111.4 37.3 -76.3 -27.0 17.5 7.3 18.2 50 108 A M H X4 S+ 0 0 19 -3,-1.2 3,-1.9 1,-0.1 -2,-0.2 0.870 113.8 56.2 -82.1 -44.2 19.8 4.3 18.1 51 109 A Y H >X S+ 0 0 24 -4,-3.0 4,-2.3 1,-0.3 3,-1.8 0.656 84.6 82.7 -64.5 -12.3 22.6 6.1 16.2 52 110 A R H 3X S+ 0 0 84 -4,-1.0 4,-2.2 1,-0.3 -1,-0.3 0.785 78.9 69.9 -58.9 -27.6 22.7 8.8 18.9 53 111 A A H <4 S+ 0 0 22 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.749 107.9 34.5 -64.9 -25.6 24.9 6.3 20.8 54 112 A L H <4 S+ 0 0 39 -3,-1.8 9,-2.1 -4,-0.2 10,-0.4 0.786 112.8 62.3 -88.3 -38.1 27.7 7.0 18.2 55 113 A Q H < S+ 0 0 29 -4,-2.3 7,-2.5 8,-0.3 9,-2.1 0.881 122.5 5.9 -50.0 -45.9 26.7 10.7 17.8 56 114 A T E < -E 61 0B 59 -4,-2.2 2,-0.4 5,-0.3 5,-0.2 -0.990 66.8-160.0-147.3 137.6 27.5 11.5 21.3 57 115 A V E > S-E 60 0B 2 3,-2.2 3,-2.8 -2,-0.3 107,-0.1 -0.995 78.4 -16.9-128.2 123.5 29.1 9.4 24.1 58 116 A F T 3 S- 0 0 31 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.896 129.5 -52.8 45.9 46.0 28.6 10.3 27.8 59 117 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.283 114.4 117.0 82.2 -8.4 27.6 13.7 26.7 60 118 A E E < S-E 57 0B 48 -3,-2.8 -3,-2.2 1,-0.0 -1,-0.2 -0.809 70.2-118.7-104.4 120.1 30.7 14.3 24.5 61 119 A R E +E 56 0B 93 -2,-0.5 -5,-0.3 -5,-0.2 -6,-0.1 -0.343 50.3 149.1 -58.7 127.2 30.2 14.8 20.7 62 120 A L S S+ 0 0 0 -7,-2.5 177,-0.2 -8,-0.2 -7,-0.2 0.543 72.5 10.8-126.4 -86.3 32.1 12.0 18.9 63 121 A F S > S+ 0 0 12 -9,-2.1 3,-2.6 1,-0.2 6,-0.3 0.670 86.2 171.2 -74.6 -18.9 30.7 10.8 15.5 64 122 A G T 3 - 0 0 4 -9,-2.1 -1,-0.2 -10,-0.4 169,-0.1 -0.106 65.9 -29.0 51.8-135.8 28.3 13.7 15.4 65 123 A Q T 3 S+ 0 0 55 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 -0.086 99.3 136.8-104.5 36.2 26.6 14.0 12.1 66 124 A G S <> S- 0 0 1 -3,-2.6 4,-2.3 170,-0.1 171,-0.1 0.093 73.9 -75.1 -70.9-168.5 29.4 12.4 10.1 67 125 A L T 4 S+ 0 0 10 1,-0.2 -1,-0.1 2,-0.2 13,-0.1 0.796 128.2 39.9 -69.3 -28.2 29.0 9.9 7.3 68 126 A V T 4 S+ 0 0 42 -5,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.891 122.4 36.5 -82.6 -42.6 28.3 6.9 9.6 69 127 A S T 4 S+ 0 0 0 -6,-0.3 2,-0.4 -15,-0.1 -2,-0.2 0.561 86.1 100.3 -97.3 -13.2 26.0 8.5 12.2 70 128 A E < + 0 0 4 -4,-2.3 -24,-0.2 1,-0.2 -5,-0.1 -0.645 46.7 179.7 -67.2 126.3 24.0 11.0 10.1 71 129 A C + 0 0 10 -2,-0.4 2,-0.3 -26,-0.1 -25,-0.3 0.644 44.8 103.0-109.1 -20.3 20.7 9.1 9.6 72 130 A N > - 0 0 75 1,-0.1 4,-2.6 -27,-0.1 5,-0.2 -0.535 68.5-139.8 -66.6 126.0 18.7 11.6 7.5 73 131 A Y H > S+ 0 0 54 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.907 95.4 44.2 -56.7 -52.5 18.8 10.5 3.9 74 132 A E H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 116.2 46.1 -59.9 -46.3 19.3 13.8 2.1 75 133 A R H > S+ 0 0 135 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 116.5 46.8 -65.1 -36.8 21.9 15.1 4.5 76 134 A W H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.937 110.4 51.5 -66.0 -47.4 23.7 11.8 4.3 77 135 A H H X S+ 0 0 42 -4,-3.3 4,-2.5 -5,-0.2 5,-0.2 0.875 104.6 57.4 -63.8 -34.5 23.5 11.6 0.5 78 136 A K H X S+ 0 0 167 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.942 114.1 37.7 -62.9 -46.8 25.0 15.1 0.0 79 137 A Q H X S+ 0 0 27 -4,-1.4 4,-2.6 -5,-0.2 3,-0.4 0.903 112.1 58.4 -69.8 -36.8 28.1 14.2 1.9 80 138 A R H X S+ 0 0 41 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.887 103.6 54.3 -61.4 -41.4 28.3 10.6 0.5 81 139 A R H < S+ 0 0 163 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.854 111.8 43.0 -60.2 -34.4 28.4 12.0 -3.0 82 140 A V H >< S+ 0 0 39 -4,-1.0 3,-1.1 -3,-0.4 4,-0.3 0.936 115.1 47.1 -75.4 -48.8 31.4 14.2 -2.3 83 141 A I H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 4,-0.4 0.811 94.8 75.6 -70.6 -28.4 33.4 11.7 -0.3 84 142 A D G >< S+ 0 0 57 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.787 83.2 70.4 -47.4 -34.4 32.8 8.9 -2.9 85 143 A L G X S+ 0 0 107 -3,-1.1 3,-1.1 -4,-0.4 -1,-0.3 0.824 90.1 58.2 -56.8 -32.6 35.4 10.6 -5.0 86 144 A A G < S+ 0 0 12 -3,-2.0 -1,-0.3 -4,-0.3 131,-0.2 0.607 105.8 53.9 -74.5 -8.1 38.2 9.6 -2.6 87 145 A F G < S+ 0 0 29 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.207 75.6 128.5-113.6 22.0 37.1 6.0 -3.2 88 146 A S S <> S- 0 0 47 -3,-1.1 4,-2.5 1,-0.1 5,-0.2 -0.248 75.7-102.0 -67.3 163.5 37.3 5.8 -7.0 89 147 A R H > S+ 0 0 169 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 123.7 50.1 -53.8 -45.0 39.3 2.9 -8.5 90 148 A S H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 108.2 51.7 -63.0 -44.3 42.2 5.2 -9.3 91 149 A S H >> S+ 0 0 27 2,-0.2 4,-0.5 -6,-0.2 3,-0.5 0.972 113.4 45.2 -52.4 -53.1 42.3 6.6 -5.7 92 150 A L H >< S+ 0 0 8 -4,-2.5 3,-1.7 1,-0.3 4,-0.4 0.909 108.6 55.6 -65.7 -39.4 42.4 3.1 -4.3 93 151 A V H >< S+ 0 0 57 -4,-2.8 3,-1.2 1,-0.3 -1,-0.3 0.882 102.5 57.7 -59.9 -30.1 45.0 2.0 -6.7 94 152 A S H << S+ 0 0 84 -4,-1.8 3,-0.4 -3,-0.5 4,-0.3 0.637 95.6 65.1 -78.6 -7.6 47.2 4.9 -5.6 95 153 A L T S+ 0 0 13 -3,-1.2 4,-3.1 -4,-0.4 5,-0.2 0.827 82.0 55.1 -55.6 -35.9 49.0 0.4 -2.8 97 155 A E H > S+ 0 0 96 -3,-0.4 4,-2.8 -4,-0.2 -1,-0.2 0.935 109.6 45.9 -66.8 -43.5 52.3 2.0 -1.9 98 156 A T H > S+ 0 0 17 -4,-0.3 4,-2.7 -3,-0.2 5,-0.3 0.940 113.7 49.0 -65.5 -44.6 51.0 2.9 1.5 99 157 A F H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.958 114.7 46.0 -56.7 -50.8 49.6 -0.6 2.1 100 158 A N H X S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.893 112.0 51.3 -58.2 -42.5 52.8 -2.2 0.9 101 159 A E H X S+ 0 0 82 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.956 114.2 40.4 -61.2 -50.7 54.9 0.1 3.0 102 160 A K H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.905 114.3 52.5 -72.0 -36.4 53.1 -0.4 6.3 103 161 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.920 110.2 49.7 -64.1 -39.9 52.7 -4.1 5.8 104 162 A E H X S+ 0 0 11 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.938 109.5 51.0 -63.1 -43.0 56.4 -4.5 5.1 105 163 A Q H X S+ 0 0 59 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.937 109.7 50.3 -59.8 -43.2 57.3 -2.5 8.2 106 164 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.942 110.8 49.9 -58.4 -46.9 55.0 -4.8 10.3 107 165 A V H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.942 109.9 48.7 -63.1 -44.0 56.7 -7.9 8.9 108 166 A E H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.925 111.3 51.0 -61.2 -41.1 60.2 -6.7 9.5 109 167 A I H < S+ 0 0 33 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.901 113.1 45.5 -62.0 -41.0 59.2 -5.8 13.1 110 168 A L H >< S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.2 4,-0.4 0.927 109.2 54.0 -68.1 -45.2 57.7 -9.2 13.6 111 169 A E H >< S+ 0 0 66 -4,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.865 101.0 61.6 -58.5 -32.9 60.7 -11.1 12.0 112 170 A A T 3< S+ 0 0 88 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.639 111.2 39.0 -64.6 -13.1 63.0 -9.2 14.5 113 171 A K T < >S+ 0 0 88 -3,-2.3 2,-1.8 -4,-0.3 5,-0.5 0.282 84.0 116.7-117.3 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2,-0.3 2,-0.0 -1,-0.1 0.772 84.0 -5.9 -77.6 -27.7 29.9 28.0 10.1 230 288 A D S S- 0 0 93 -5,-0.1 3,-0.4 0, 0.0 4,-0.3 -0.861 80.5 -91.4-152.9-176.5 32.6 26.2 12.1 231 289 A D S > S+ 0 0 56 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.411 88.4 101.1 -90.0 2.3 34.7 23.0 12.0 232 290 A E H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.841 85.4 46.9 -56.4 -40.3 32.4 20.7 14.0 233 291 A G H > S+ 0 0 19 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.912 113.0 50.7 -63.9 -45.0 31.0 18.9 11.0 234 292 A L H > S+ 0 0 1 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.952 110.8 47.9 -55.5 -51.2 34.6 18.6 9.6 235 293 A L H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.804 105.2 59.3 -66.8 -29.6 35.8 17.1 12.9 236 294 A D H X S+ 0 0 1 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.947 110.1 43.9 -59.2 -50.8 32.8 14.7 13.0 237 295 A N H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.827 109.8 55.3 -60.0 -36.6 34.1 13.3 9.6 238 296 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.956 112.0 42.9 -57.5 -50.9 37.6 13.3 10.9 239 297 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 -177,-0.2 5,-0.4 0.921 113.0 55.0 -61.5 -39.8 36.5 11.1 13.8 240 298 A T H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.956 114.8 37.1 -59.2 -55.0 34.4 9.0 11.5 241 299 A F H X S+ 0 0 13 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.853 113.0 56.8 -63.7 -35.1 37.2 8.2 9.2 242 300 A F H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.919 120.0 29.0 -68.2 -42.3 39.8 7.8 11.8 243 301 A I H >X S+ 0 0 8 -4,-2.3 4,-3.0 -5,-0.2 3,-1.7 0.961 123.5 44.8 -82.2 -55.6 37.9 5.2 13.7 244 302 A A H 3< S+ 0 0 46 -4,-2.7 5,-0.3 -5,-0.4 4,-0.3 0.810 110.7 59.7 -60.2 -30.2 35.9 3.4 10.9 245 303 A G T 3< S+ 0 0 16 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.536 123.4 11.6 -83.8 -6.4 39.0 3.4 8.8 246 304 A H T <> S+ 0 0 4 -3,-1.7 4,-2.1 -4,-0.2 -2,-0.2 0.584 111.9 67.1-131.4 -27.0 41.2 1.4 11.1 247 305 A E H X S+ 0 0 19 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.969 105.1 42.6 -69.1 -48.3 39.3 -0.3 14.0 248 306 A T H > S+ 0 0 46 -5,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.911 114.7 50.4 -65.8 -39.4 37.2 -2.8 12.0 249 307 A S H > S+ 0 0 8 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.898 111.6 49.6 -64.1 -39.4 40.1 -3.7 9.7 250 308 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.918 111.4 48.0 -64.8 -46.1 42.3 -4.3 12.8 251 309 A N H X S+ 0 0 2 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.928 112.3 49.6 -54.2 -47.3 39.6 -6.4 14.4 252 310 A H H X S+ 0 0 12 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.906 111.7 48.3 -65.3 -42.6 39.2 -8.5 11.2 253 311 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.944 112.4 49.0 -57.5 -47.5 42.9 -9.0 10.9 254 312 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.945 111.5 48.5 -64.9 -50.0 43.2 -10.1 14.5 255 313 A F H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.888 112.3 50.3 -47.9 -42.7 40.3 -12.5 14.2 256 314 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.936 113.0 43.6 -71.8 -42.9 41.8 -14.0 11.0 257 315 A V H X S+ 0 0 7 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.922 113.7 52.0 -65.5 -42.2 45.2 -14.5 12.5 258 316 A M H < S+ 0 0 2 -4,-2.8 4,-0.3 -5,-0.2 3,-0.2 0.930 113.3 44.4 -57.8 -44.8 43.7 -15.9 15.7 259 317 A E H >< S+ 0 0 5 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.925 109.8 54.3 -72.5 -39.0 41.6 -18.4 13.8 260 318 A L H >< S+ 0 0 14 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.781 88.8 77.0 -63.4 -25.7 44.4 -19.5 11.5 261 319 A S T 3< S+ 0 0 39 -4,-1.6 -1,-0.3 1,-0.3 143,-0.2 0.732 105.0 38.1 -59.1 -17.9 46.7 -20.3 14.4 262 320 A R T < S+ 0 0 115 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.187 102.5 75.9-115.3 19.2 44.5 -23.5 14.6 263 321 A Q <> + 0 0 40 -3,-2.3 4,-2.5 1,-0.1 3,-0.4 -0.552 48.5 161.6-127.1 63.8 44.0 -24.1 10.9 264 322 A P H > S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.844 75.4 52.6 -56.5 -35.8 47.3 -25.6 9.7 265 323 A E H > S+ 0 0 141 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.886 110.7 46.6 -65.8 -41.4 45.8 -27.1 6.6 266 324 A I H > S+ 0 0 15 -3,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.923 111.7 53.1 -68.1 -42.4 44.3 -23.8 5.5 267 325 A V H X S+ 0 0 31 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.878 106.3 51.4 -56.0 -44.4 47.6 -22.1 6.3 268 326 A A H X S+ 0 0 53 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.919 112.4 47.2 -62.9 -43.4 49.6 -24.5 4.1 269 327 A R H X S+ 0 0 120 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.899 110.6 51.1 -69.4 -36.1 47.3 -23.8 1.3 270 328 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.931 109.9 51.7 -60.1 -42.9 47.4 -20.0 1.8 271 329 A Q H X S+ 0 0 21 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.889 107.8 50.9 -64.3 -36.9 51.2 -20.3 1.7 272 330 A A H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.945 110.4 49.5 -65.8 -47.5 51.2 -22.2 -1.5 273 331 A E H X S+ 0 0 19 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.930 109.8 50.5 -54.7 -52.1 48.9 -19.6 -3.1 274 332 A V H X>S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-1.3 0.944 111.9 47.8 -46.5 -52.6 51.1 -16.7 -2.0 275 333 A D H X5S+ 0 0 72 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.920 114.8 48.3 -60.4 -45.2 54.2 -18.4 -3.4 276 334 A E H <5S+ 0 0 163 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.908 119.9 31.5 -59.4 -47.3 52.4 -19.1 -6.6 277 335 A V H <5S+ 0 0 26 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.853 138.9 15.1 -93.3 -30.3 50.9 -15.6 -7.3 278 336 A I H ><5S- 0 0 6 -4,-2.8 3,-2.6 -5,-0.3 -3,-0.2 0.548 82.2-174.4-117.2 -9.6 53.4 -13.2 -5.8 279 337 A G T 3<> - 0 0 83 -2,-0.3 3,-0.9 1,-0.1 4,-0.9 -0.721 29.4-109.4 -96.2 157.7 50.9 -4.9 -7.2 286 344 A F H >> S+ 0 0 61 -2,-0.3 3,-0.8 1,-0.2 4,-0.7 0.855 118.7 56.9 -54.0 -36.5 47.2 -4.2 -7.5 287 345 A E H 3> S+ 0 0 116 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.813 98.3 64.0 -66.3 -28.9 46.8 -6.9 -10.1 288 346 A D H X> S+ 0 0 3 -3,-0.9 3,-0.6 1,-0.2 4,-0.6 0.859 91.4 64.1 -60.4 -33.8 48.2 -9.4 -7.7 289 347 A L H X< S+ 0 0 7 -4,-0.9 3,-1.6 -3,-0.8 -1,-0.2 0.886 95.5 56.4 -63.0 -43.7 45.4 -8.9 -5.2 290 348 A G H 3< S+ 0 0 62 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.797 103.9 55.4 -58.3 -30.0 42.8 -10.3 -7.6 291 349 A R H << S+ 0 0 134 -4,-0.8 2,-2.3 -3,-0.6 3,-0.3 0.617 79.3 89.1 -82.0 -8.6 44.7 -13.5 -7.9 292 350 A L + 0 0 107 -2,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.896 65.9 45.9 -60.9 -46.1 41.5 -16.1 -4.6 294 352 A Y H > S+ 0 0 12 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.869 111.4 52.3 -68.8 -37.2 41.9 -18.5 -1.7 295 353 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.936 106.8 55.6 -63.9 -41.9 43.0 -15.8 0.7 296 354 A S H X S+ 0 0 25 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.897 107.0 48.9 -54.8 -40.2 40.0 -13.9 -0.4 297 355 A Q H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.897 110.0 50.2 -64.1 -44.0 37.9 -17.0 0.6 298 356 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.882 110.5 50.3 -62.0 -43.7 39.5 -17.2 4.0 299 357 A L H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.922 111.7 48.7 -63.7 -43.5 38.9 -13.5 4.6 300 358 A K H X S+ 0 0 71 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.898 111.9 47.5 -59.8 -42.8 35.3 -13.9 3.7 301 359 A E H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.3 0.852 108.4 56.4 -70.2 -33.3 34.8 -16.9 6.0 302 360 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.907 107.7 48.2 -64.1 -40.4 36.6 -15.0 8.7 303 361 A L H < S+ 0 0 11 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.745 104.9 59.5 -72.4 -21.2 34.0 -12.2 8.4 304 362 A R H < S+ 0 0 0 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.956 119.5 27.1 -68.3 -51.5 31.1 -14.7 8.4 305 363 A L H < S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.782 135.3 31.5 -76.0 -31.9 32.0 -16.0 11.9 306 364 A Y < + 0 0 12 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 -0.545 68.6 169.6-133.4 62.5 33.7 -12.9 13.2 307 365 A P - 0 0 0 0, 0.0 111,-0.3 0, 0.0 -4,-0.1 -0.691 21.3-158.2 -76.2 117.9 32.2 -9.8 11.7 308 366 A P S S+ 0 0 6 0, 0.0 110,-2.0 0, 0.0 2,-1.1 0.895 91.5 54.8 -63.2 -39.1 33.5 -6.8 13.7 309 367 A A S S+ 0 0 50 62,-0.3 28,-0.2 108,-0.2 64,-0.2 -0.824 76.0 172.0 -93.5 98.4 30.6 -4.7 12.6 310 368 A W + 0 0 27 -2,-1.1 28,-1.1 27,-0.1 29,-0.4 0.553 49.8 16.4 -93.6 -11.1 27.9 -7.1 13.9 311 369 A G - 0 0 34 25,-0.2 2,-0.3 26,-0.1 25,-0.2 -0.993 49.5-165.0-155.9 162.5 24.7 -5.2 13.5 312 370 A T E - D 0 335A 12 23,-1.7 23,-2.7 -2,-0.3 2,-0.4 -0.981 16.3-140.7-148.1 152.6 22.9 -2.2 11.9 313 371 A F E - D 0 334A 25 -2,-0.3 -266,-0.5 21,-0.2 2,-0.4 -0.939 11.1-171.7-120.2 145.7 19.6 -0.5 12.6 314 372 A R E -CD 46 333A 0 19,-2.0 19,-2.9 -2,-0.4 2,-0.5 -0.969 29.2-116.8-124.9 147.2 16.8 0.9 10.4 315 373 A L E - D 0 332A 33 -270,-3.0 2,-0.9 -2,-0.4 -270,-0.4 -0.674 16.7-152.3 -79.1 125.9 13.8 2.9 11.6 316 374 A L E - D 0 331A 2 15,-2.5 15,-1.9 -2,-0.5 14,-1.6 -0.879 15.9-172.9 -94.2 108.0 10.5 1.2 10.9 317 375 A E + 0 0 149 -2,-0.9 2,-0.4 12,-0.2 -1,-0.2 0.864 60.2 30.5 -74.6 -38.0 8.3 4.3 10.6 318 376 A E S S- 0 0 139 11,-0.2 -1,-0.1 10,-0.1 9,-0.1 -0.941 96.9 -86.7-124.1 145.5 4.9 2.8 10.4 319 377 A E + 0 0 102 -2,-0.4 2,-0.3 7,-0.1 10,-0.1 -0.178 60.0 168.2 -45.7 135.5 3.3 -0.3 11.8 320 378 A T E -H 327 0D 25 7,-2.1 7,-2.9 5,-0.1 2,-0.5 -0.982 39.0-111.8-157.9 150.7 4.0 -3.1 9.3 321 379 A L E -H 326 0D 106 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.797 31.9-172.6 -95.4 129.0 3.8 -6.9 9.2 322 380 A I E > S-H 325 0D 3 3,-3.5 3,-2.9 -2,-0.5 -2,-0.0 -0.977 71.3 -25.3-129.2 117.7 7.3 -8.6 9.0 323 381 A D T 3 S- 0 0 66 -2,-0.5 -1,-0.1 1,-0.3 -307,-0.1 0.854 129.4 -47.6 44.2 39.7 7.4 -12.3 8.4 324 382 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.199 117.3 110.9 96.8 -17.8 4.0 -12.6 9.9 325 383 A V E < -H 322 0D 48 -3,-2.9 -3,-3.5 1,-0.0 2,-0.5 -0.752 65.6-130.3 -98.8 135.8 4.6 -10.5 13.0 326 384 A R E -H 321 0D 175 -2,-0.4 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