==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-SEP-09 3JUV . COMPND 2 MOLECULE: LANOSTEROL 14-ALPHA DEMETHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.STRUSHKEVICH,F.MACKENZIE,C.H.ARROWSMITH,A.M.EDWARDS,C.BOUN . 448 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 9.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 27 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 41.1 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+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 3 0 2 1 0 1 1 0 1 1 1 1 0 0 2 0 1 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 55 A P 0 0 174 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.6 -61.8 28.2 -41.2 2 56 A A - 0 0 100 1,-0.1 2,-0.4 3,-0.0 3,-0.0 0.596 360.0-113.4-139.3 -31.0 -64.1 31.0 -42.7 3 57 A G S S+ 0 0 59 2,-0.0 2,-0.8 0, 0.0 -1,-0.1 -0.797 94.7 49.4 127.3 -92.3 -65.2 33.8 -40.3 4 58 A V + 0 0 143 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.809 59.9 128.8 -85.9 103.6 -69.0 33.7 -39.6 5 59 A K + 0 0 87 -2,-0.8 335,-1.9 335,-0.2 -1,-0.1 -0.395 36.7 135.1-148.2 51.5 -69.9 30.1 -38.7 6 60 A S - 0 0 39 333,-0.2 335,-0.1 1,-0.2 3,-0.1 -0.444 64.8 -71.6 -98.7 172.5 -71.7 30.9 -35.5 7 61 A P - 0 0 8 0, 0.0 -1,-0.2 0, 0.0 35,-0.2 -0.284 66.1 -78.5 -68.0 157.1 -75.0 29.4 -34.4 8 62 A P - 0 0 39 0, 0.0 35,-3.2 0, 0.0 2,-0.5 -0.277 48.7-137.9 -51.5 133.9 -78.2 30.5 -36.2 9 63 A Y E -a 43 0A 84 33,-0.2 2,-0.6 -3,-0.1 35,-0.2 -0.883 4.1-142.3-105.3 124.9 -79.4 33.9 -35.0 10 64 A I E -a 44 0A 16 33,-3.0 35,-0.6 -2,-0.5 2,-0.2 -0.779 22.4-137.8 -83.4 122.0 -83.1 34.5 -34.3 11 65 A F - 0 0 168 -2,-0.6 -1,-0.0 33,-0.1 33,-0.0 -0.506 14.3-160.2 -81.5 146.5 -84.0 38.0 -35.3 12 66 A S - 0 0 33 -2,-0.2 7,-0.1 3,-0.1 6,-0.0 -0.968 19.0-145.0-121.0 144.4 -86.2 40.3 -33.3 13 67 A P S S+ 0 0 119 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.427 82.0 88.1 -82.9 1.9 -88.1 43.3 -34.5 14 68 A I S > S- 0 0 72 1,-0.1 4,-1.7 2,-0.1 -2,-0.0 -0.873 75.7-144.4-106.4 105.4 -87.6 45.1 -31.2 15 69 A P T 4 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 0.695 82.3 4.6 -42.5 -46.2 -84.3 47.0 -31.4 16 70 A F T 4 S+ 0 0 92 2,-0.1 32,-2.2 31,-0.1 3,-0.1 0.848 130.7 47.8-110.1 -51.2 -82.9 46.6 -27.9 17 71 A L T >4 S+ 0 0 76 30,-0.2 30,-2.1 1,-0.2 3,-1.7 0.879 79.1 169.0 -55.5 -41.4 -85.2 44.5 -25.8 18 72 A G B >< S-B 46 0A 5 -4,-1.7 3,-0.7 1,-0.3 4,-0.3 -0.456 70.3 -9.7 63.3-127.5 -85.2 41.9 -28.6 19 73 A H T 3> S+ 0 0 20 26,-2.9 4,-2.9 1,-0.2 5,-0.4 0.410 102.4 110.6 -83.6 3.9 -86.8 38.7 -27.3 20 74 A A H <> S+ 0 0 6 -3,-1.7 4,-1.8 25,-0.2 -1,-0.2 0.791 81.0 47.6 -48.8 -32.4 -86.8 39.9 -23.7 21 75 A I H <> S+ 0 0 73 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.959 113.0 43.9 -76.5 -52.7 -90.6 40.1 -23.9 22 76 A A H > S+ 0 0 44 -4,-0.3 4,-2.2 2,-0.2 8,-0.2 0.938 120.2 43.4 -58.5 -47.3 -91.4 36.8 -25.5 23 77 A F H < S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.929 113.2 52.2 -62.0 -47.5 -88.9 35.1 -23.2 24 78 A G H < S+ 0 0 30 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.857 109.1 51.4 -56.7 -37.2 -90.2 37.1 -20.2 25 79 A K H < S- 0 0 159 -4,-2.7 405,-0.2 1,-0.2 -2,-0.2 0.937 139.8 -16.1 -70.2 -49.9 -93.7 36.0 -21.0 26 80 A S X - 0 0 23 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 -0.572 63.6-178.0-159.7 95.7 -93.0 32.3 -21.1 27 81 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.771 80.8 52.9 -68.6 -33.4 -89.4 31.2 -21.5 28 82 A I H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 111.6 45.5 -74.8 -44.3 -89.8 27.4 -21.7 29 83 A E H > S+ 0 0 114 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 113.5 51.3 -60.0 -47.2 -92.3 27.7 -24.5 30 84 A F H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.934 112.2 46.0 -53.1 -50.0 -90.0 30.2 -26.3 31 85 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.799 111.3 51.7 -69.9 -32.1 -87.0 27.9 -26.0 32 86 A E H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.948 109.5 48.6 -68.1 -49.2 -88.9 24.9 -27.1 33 87 A N H X S+ 0 0 64 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.832 111.0 52.7 -57.5 -33.8 -90.2 26.6 -30.2 34 88 A A H X S+ 0 0 4 -4,-1.7 4,-2.7 -5,-0.2 5,-0.3 0.872 105.7 52.9 -70.2 -38.6 -86.7 27.8 -30.9 35 89 A Y H X S+ 0 0 52 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.882 107.3 53.6 -62.4 -39.9 -85.4 24.2 -30.7 36 90 A E H < S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 118.5 33.3 -65.6 -37.0 -87.9 23.1 -33.2 37 91 A K H < S+ 0 0 153 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.764 133.3 23.4 -90.6 -28.0 -86.9 25.7 -35.8 38 92 A Y H < S- 0 0 82 -4,-2.7 3,-0.5 1,-0.3 -3,-0.2 0.422 97.2-128.0-124.8 -3.3 -83.1 26.1 -35.2 39 93 A G < - 0 0 22 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.398 55.8 -33.4 84.4-161.9 -81.9 22.8 -33.5 40 94 A P S S+ 0 0 48 0, 0.0 15,-3.6 0, 0.0 2,-0.4 0.625 125.2 43.6 -75.9 -18.0 -79.9 22.3 -30.3 41 95 A V E + C 0 54A 0 -3,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.992 67.6 141.9-137.0 126.2 -77.7 25.5 -30.6 42 96 A F E - C 0 53A 0 11,-1.0 11,-2.4 -2,-0.4 2,-0.3 -0.988 32.4-132.9-159.4 154.1 -78.9 29.0 -31.5 43 97 A S E +aC 9 52A 2 -35,-3.2 -33,-3.0 -2,-0.3 2,-0.3 -0.785 24.2 161.7-111.6 155.5 -78.4 32.7 -30.6 44 98 A F E -aC 10 51A 0 7,-1.9 7,-3.0 -2,-0.3 2,-0.4 -0.966 33.4-106.7-163.2 161.7 -80.7 35.6 -29.9 45 99 A T E + C 0 50A 21 -35,-0.6 -26,-2.9 -2,-0.3 2,-0.4 -0.761 29.1 171.6 -97.9 137.1 -80.8 39.1 -28.4 46 100 A M E > S-BC 18 49A 0 3,-2.1 3,-1.8 -2,-0.4 -28,-0.2 -0.957 74.2 -18.7-139.1 121.5 -82.3 40.1 -25.1 47 101 A V T 3 S- 0 0 11 -30,-2.1 -30,-0.2 -2,-0.4 2,-0.1 0.908 127.1 -49.7 52.6 50.9 -81.8 43.5 -23.5 48 102 A G T 3 S+ 0 0 45 -32,-2.2 -1,-0.3 1,-0.2 2,-0.2 0.106 117.2 104.6 80.7 -25.8 -78.8 44.3 -25.6 49 103 A K E < -C 46 0A 37 -3,-1.8 -3,-2.1 136,-0.2 2,-0.6 -0.571 67.0-128.0 -88.7 153.2 -76.9 41.0 -24.9 50 104 A T E -C 45 0A 44 294,-0.2 296,-2.8 -5,-0.2 2,-0.4 -0.906 24.3-164.5-100.6 122.0 -76.5 38.0 -27.2 51 105 A F E -Cd 44 346A 0 -7,-3.0 -7,-1.9 -2,-0.6 2,-0.5 -0.841 6.9-163.8-104.5 134.8 -77.5 34.6 -25.7 52 106 A T E -Cd 43 347A 0 294,-2.6 296,-3.0 -2,-0.4 2,-0.3 -0.986 14.5-152.0-118.5 122.4 -76.5 31.3 -27.1 53 107 A Y E -Cd 42 348A 0 -11,-2.4 -11,-1.0 -2,-0.5 2,-0.6 -0.651 8.3-152.8 -95.4 144.5 -78.5 28.4 -25.8 54 108 A L E -Cd 41 349A 0 294,-2.6 296,-0.6 -2,-0.3 2,-0.4 -0.955 20.8-174.0-114.6 106.0 -77.3 24.8 -25.5 55 109 A L + 0 0 2 -15,-3.6 4,-0.5 -2,-0.6 5,-0.1 -0.856 46.6 18.1-108.7 141.9 -80.3 22.4 -25.8 56 110 A G S > S- 0 0 11 -2,-0.4 4,-2.4 3,-0.1 3,-0.3 0.112 94.0 -79.2 80.5 160.0 -80.2 18.7 -25.3 57 111 A S H > S+ 0 0 10 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.905 122.0 59.0 -65.5 -45.9 -77.4 16.7 -23.5 58 112 A D H 4 S+ 0 0 147 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.869 117.1 31.8 -50.9 -46.4 -74.9 16.6 -26.4 59 113 A A H >4 S+ 0 0 4 -4,-0.5 3,-1.8 -3,-0.3 4,-0.4 0.863 108.2 66.9 -83.2 -38.8 -74.6 20.4 -26.6 60 114 A A H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 3,-0.8 0.725 85.8 79.6 -51.5 -25.9 -75.2 21.1 -22.9 61 115 A A H 3X S+ 0 0 21 -4,-1.4 4,-2.3 1,-0.2 5,-0.3 0.891 78.2 66.0 -44.8 -50.4 -71.9 19.3 -22.5 62 116 A L H <> S+ 0 0 29 -3,-1.8 4,-0.5 -4,-0.3 -1,-0.2 0.845 109.0 37.1 -49.6 -41.3 -69.9 22.5 -23.5 63 117 A L H X4 S+ 0 0 0 -3,-0.8 3,-0.8 -4,-0.4 -1,-0.2 0.923 113.9 53.8 -77.3 -47.0 -71.1 24.3 -20.4 64 118 A F H 3< S+ 0 0 0 -4,-1.9 328,-2.0 1,-0.3 329,-0.6 0.770 116.6 38.5 -64.0 -25.3 -71.0 21.4 -17.9 65 119 A N H 3< S+ 0 0 92 -4,-2.3 -1,-0.3 326,-0.2 -2,-0.2 0.523 95.6 117.6 -98.3 -9.4 -67.4 20.6 -18.8 66 120 A S << - 0 0 11 -3,-0.8 2,-0.4 -4,-0.5 326,-0.1 0.018 61.2-126.0 -61.0 161.5 -66.2 24.2 -19.1 67 121 A K >> - 0 0 106 1,-0.1 3,-2.6 325,-0.0 4,-2.3 -0.905 24.4-119.2-107.8 142.2 -63.6 26.1 -17.1 68 122 A N T 34 S+ 0 0 14 -2,-0.4 5,-0.2 1,-0.3 6,-0.2 0.578 112.0 59.9 -61.4 -9.1 -64.6 29.4 -15.5 69 123 A E T 34 S+ 0 0 131 3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.614 113.8 34.8 -93.2 -15.8 -61.9 31.2 -17.5 70 124 A D T <4 S+ 0 0 53 -3,-2.6 261,-3.2 1,-0.3 262,-0.9 0.801 132.9 27.8 -96.6 -48.5 -63.4 30.2 -20.8 71 125 A L E < S-E 330 0A 0 -4,-2.3 -1,-0.3 259,-0.2 2,-0.3 -0.930 91.8-150.0-115.3 102.5 -67.1 30.3 -19.7 72 126 A N E -E 329 0A 0 257,-3.0 257,-3.0 -2,-0.6 4,-0.1 -0.533 22.5-172.4 -89.5 136.3 -67.3 32.8 -16.9 73 127 A A S > S+ 0 0 6 -2,-0.3 3,-1.2 -5,-0.2 4,-0.2 0.875 86.1 51.0 -88.8 -42.8 -69.8 32.8 -14.0 74 128 A E G > S+ 0 0 57 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.766 99.1 67.5 -67.4 -28.7 -69.0 36.2 -12.3 75 129 A D G 3 S+ 0 0 60 1,-0.2 -1,-0.3 254,-0.1 114,-0.2 0.702 89.9 65.7 -62.5 -20.3 -69.4 38.0 -15.7 76 130 A V G < S+ 0 0 4 -3,-1.2 2,-0.3 251,-0.2 -1,-0.2 0.662 93.0 80.4 -79.3 -15.2 -73.1 37.2 -15.7 77 131 A Y < - 0 0 53 -3,-1.4 2,-0.2 -4,-0.2 104,-0.0 -0.667 55.6-156.6-112.5 151.6 -73.9 39.3 -12.6 78 132 A S > - 0 0 8 -2,-0.3 4,-2.7 109,-0.1 111,-0.1 -0.615 46.8 -98.0-103.4 164.4 -74.6 42.9 -11.6 79 133 A R T 4 S+ 0 0 139 110,-0.2 -1,-0.0 -2,-0.2 110,-0.0 0.780 131.7 42.8 -48.3 -29.0 -74.2 44.4 -8.2 80 134 A L T 4 S+ 0 0 19 1,-0.1 -1,-0.2 109,-0.1 100,-0.1 0.871 116.4 42.9 -86.2 -42.9 -77.9 43.7 -8.0 81 135 A T T 4 S+ 0 0 1 106,-0.1 103,-0.2 100,-0.1 -2,-0.2 0.642 83.3 117.6 -86.5 -13.3 -78.1 40.3 -9.6 82 136 A T S < S- 0 0 43 -4,-2.7 2,-0.1 1,-0.1 99,-0.1 -0.267 76.8-107.8 -51.5 130.1 -75.0 38.8 -7.7 83 137 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 8,-0.3 -0.464 41.6-108.8 -61.1 133.9 -76.0 35.9 -5.5 84 138 A V + 0 0 21 1,-0.1 173,-0.2 -2,-0.1 172,-0.1 -0.529 67.6 122.0 -75.4 121.9 -75.9 37.1 -1.8 85 139 A F - 0 0 31 -2,-0.4 2,-0.3 4,-0.2 -1,-0.1 0.261 62.3 -93.5-131.9 -84.8 -73.1 35.7 0.3 86 140 A G B > -G 89 0B 14 3,-0.7 3,-1.8 166,-0.1 6,-0.3 -0.962 47.5 -48.8 174.3 173.3 -70.8 38.3 1.8 87 141 A K T 3 S+ 0 0 145 -2,-0.3 162,-0.2 1,-0.3 3,-0.1 -0.389 122.3 11.8 -63.9 134.9 -67.7 40.4 1.5 88 142 A G T 3 S+ 0 0 24 1,-0.2 2,-0.4 4,-0.1 -1,-0.3 0.527 113.0 96.4 75.5 6.7 -64.6 38.3 0.7 89 143 A V B X S-G 86 0B 2 -3,-1.8 3,-1.2 160,-0.1 -3,-0.7 -0.985 84.4 -23.8-131.3 141.1 -66.8 35.3 -0.1 90 144 A A G > S+ 0 0 1 -2,-0.4 3,-0.7 1,-0.3 8,-0.2 -0.518 129.8 8.0 76.1-107.3 -68.2 33.8 -3.3 91 145 A Y G 3 S+ 0 0 55 -2,-0.6 -1,-0.3 -8,-0.3 4,-0.1 0.583 120.5 71.1 -88.4 -9.4 -68.6 36.2 -6.2 92 146 A D G < S+ 0 0 83 -3,-1.2 -1,-0.2 -6,-0.3 -2,-0.2 0.550 104.1 45.8 -79.2 -9.2 -66.8 38.9 -4.3 93 147 A V S < S- 0 0 27 -3,-0.7 -4,-0.0 1,-0.1 5,-0.0 -0.818 101.7 -75.3-125.9 167.3 -63.5 36.9 -4.8 94 148 A P > - 0 0 86 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.226 47.7-111.0 -57.1 152.6 -61.7 35.0 -7.6 95 149 A N H > S+ 0 0 37 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.938 113.1 57.2 -56.7 -58.0 -63.2 31.7 -8.7 96 150 A P H > S+ 0 0 83 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.840 111.9 45.9 -41.2 -41.5 -60.4 29.4 -7.5 97 151 A V H > S+ 0 0 42 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.932 111.1 50.3 -68.6 -48.7 -61.0 30.9 -4.0 98 152 A F H X S+ 0 0 16 -4,-2.1 4,-2.0 -8,-0.2 3,-0.3 0.925 107.8 55.0 -55.6 -46.0 -64.7 30.5 -4.2 99 153 A L H X S+ 0 0 83 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.885 106.7 51.1 -53.3 -43.3 -64.3 26.9 -5.3 100 154 A E H X S+ 0 0 63 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.839 108.1 51.1 -63.3 -37.8 -62.2 26.3 -2.1 101 155 A Q H X S+ 0 0 2 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.833 108.1 52.0 -70.0 -33.7 -64.9 27.8 0.1 102 156 A K H X S+ 0 0 62 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.918 108.4 52.7 -66.6 -44.5 -67.5 25.6 -1.6 103 157 A K H X S+ 0 0 159 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.947 108.3 49.5 -48.5 -58.6 -65.2 22.6 -0.8 104 158 A M H X S+ 0 0 14 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.926 114.2 45.9 -49.5 -49.8 -65.1 23.7 2.9 105 159 A L H X S+ 0 0 5 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.806 109.6 54.9 -63.9 -32.0 -68.9 23.9 2.9 106 160 A K H >< S+ 0 0 99 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.945 104.6 51.3 -70.4 -49.1 -69.3 20.6 1.1 107 161 A S H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.681 106.0 60.5 -56.6 -22.0 -67.2 18.7 3.7 108 162 A G H 3< S+ 0 0 1 -4,-0.7 2,-1.3 -5,-0.3 -1,-0.3 0.820 95.5 62.6 -72.2 -33.0 -69.6 20.4 6.2 109 163 A L S << S+ 0 0 12 -3,-1.1 2,-0.2 -4,-0.9 -1,-0.2 -0.658 81.3 140.6 -98.2 79.6 -72.6 18.7 4.6 110 164 A N > - 0 0 50 -2,-1.3 4,-2.6 -3,-0.2 3,-0.2 -0.730 68.6 -96.3-123.7 170.2 -71.8 15.1 5.3 111 165 A I H > S+ 0 0 103 -2,-0.2 4,-1.7 1,-0.2 189,-0.1 0.824 119.6 58.1 -54.4 -37.9 -73.5 11.9 6.4 112 166 A A H > S+ 0 0 56 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.967 112.0 38.4 -54.5 -59.7 -72.5 12.5 10.0 113 167 A H H >> S+ 0 0 4 1,-0.2 4,-2.1 -3,-0.2 3,-0.6 0.871 108.2 63.2 -61.2 -41.1 -74.2 15.8 10.2 114 168 A F H 3X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.883 97.3 58.7 -54.3 -40.1 -77.2 14.7 8.1 115 169 A K H 3X S+ 0 0 110 -4,-1.7 4,-0.6 -3,-0.4 -1,-0.2 0.872 107.8 45.3 -57.1 -42.5 -78.1 12.1 10.8 116 170 A Q H X S+ 0 0 100 -4,-3.0 3,-0.6 2,-0.2 4,-0.5 0.910 113.3 51.1 -62.4 -46.8 -94.1 21.9 15.7 128 182 A Y H >< S+ 0 0 37 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.958 110.4 45.8 -55.7 -57.7 -94.8 24.3 12.8 129 183 A F H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.528 89.9 84.9 -71.7 -6.5 -97.8 22.4 11.3 130 184 A E H X< S+ 0 0 147 -4,-0.6 3,-1.7 -3,-0.6 -1,-0.3 0.903 83.7 60.9 -56.8 -40.6 -99.4 22.0 14.8 131 185 A S T << S+ 0 0 91 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.506 87.5 75.7 -65.6 -5.3 -100.8 25.5 14.2 132 186 A W T < S- 0 0 15 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.532 87.9-154.9 -84.9 -7.4 -102.7 24.1 11.1 133 187 A G < - 0 0 32 -3,-1.7 -1,-0.2 1,-0.2 3,-0.1 -0.207 44.0 -45.3 66.3-155.0 -105.3 22.4 13.3 134 188 A E S S- 0 0 117 1,-0.3 312,-1.5 311,-0.1 2,-0.3 0.868 114.4 -20.7 -84.4 -39.8 -107.3 19.3 12.1 135 189 A S E S+H 445 0C 79 310,-0.2 2,-0.3 -3,-0.2 -1,-0.3 -0.975 70.8 118.4-158.1 170.6 -108.2 20.6 8.6 136 190 A G E -H 444 0C 27 308,-1.5 308,-1.7 -2,-0.3 2,-0.4 -0.980 57.9 -78.7 164.9-158.7 -108.6 23.6 6.4 137 191 A E E +H 443 0C 101 -2,-0.3 2,-0.3 306,-0.2 306,-0.2 -0.953 54.2 158.7-138.3 115.2 -107.3 25.2 3.3 138 192 A K E -H 442 0C 90 304,-2.1 304,-3.6 -2,-0.4 2,-0.9 -0.918 48.2 -91.1-138.8 162.8 -103.9 27.0 3.5 139 193 A N E > -H 441 0C 37 -2,-0.3 4,-1.9 302,-0.3 302,-0.3 -0.629 33.1-174.6 -75.5 102.7 -101.0 28.2 1.4 140 194 A V H > S+ 0 0 0 300,-1.6 4,-3.5 -2,-0.9 5,-0.2 0.858 81.9 56.8 -66.3 -36.4 -98.5 25.4 1.4 141 195 A F H > S+ 0 0 40 299,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.914 110.4 43.9 -60.4 -44.3 -95.8 27.4 -0.5 142 196 A E H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 116.5 47.5 -69.6 -40.3 -95.9 30.2 2.1 143 197 A A H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.964 110.9 50.7 -59.8 -55.4 -95.9 27.6 4.9 144 198 A L H X S+ 0 0 0 -4,-3.5 4,-2.7 1,-0.2 -2,-0.2 0.827 113.6 44.3 -56.8 -35.9 -93.0 25.6 3.4 145 199 A S H X S+ 0 0 22 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.845 112.0 51.6 -82.5 -32.3 -90.8 28.6 2.9 146 200 A E H X S+ 0 0 103 -4,-1.8 4,-0.5 -5,-0.2 -2,-0.2 0.877 117.2 42.0 -63.4 -39.7 -91.6 30.0 6.4 147 201 A L H >X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 3,-1.4 0.921 107.9 56.8 -71.5 -51.4 -90.6 26.5 7.7 148 202 A I H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 5,-0.3 0.755 101.6 58.8 -58.7 -25.4 -87.6 25.9 5.6 149 203 A I H 3X S+ 0 0 20 -4,-1.1 4,-0.8 2,-0.2 -1,-0.3 0.836 111.9 41.5 -71.7 -30.4 -86.0 29.1 6.9 150 204 A L H S+ 0 0 0 -4,-0.8 4,-2.9 -5,-0.3 5,-0.7 0.981 111.6 44.8 -59.7 -53.2 -81.3 27.8 9.9 154 208 A H H X5S+ 0 0 45 -4,-2.7 4,-1.7 3,-0.2 -2,-0.2 0.931 118.4 40.6 -54.2 -57.9 -81.1 25.1 12.6 155 209 A C H <5S+ 0 0 3 -4,-2.5 72,-0.6 1,-0.2 -1,-0.2 0.901 126.0 32.7 -60.7 -46.1 -79.2 22.5 10.5 156 210 A L H <5S+ 0 0 6 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.785 130.2 30.4 -89.9 -28.1 -76.8 24.8 8.8 157 211 A H H <5S- 0 0 1 -4,-2.9 4,-0.3 -5,-0.4 -3,-0.2 0.691 104.3-120.0-104.2 -24.2 -76.3 27.6 11.4 158 212 A G >X< - 0 0 5 -4,-1.7 4,-2.3 -5,-0.7 3,-0.7 0.001 33.8 -73.3 95.6 157.7 -76.7 25.7 14.7 159 213 A K H 3> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.707 123.0 66.2 -63.3 -24.0 -79.1 26.1 17.6 160 214 A E H 3> S+ 0 0 44 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.955 112.0 34.1 -58.8 -50.3 -77.4 29.3 18.9 161 215 A I H X> S+ 0 0 4 -3,-0.7 4,-0.6 -4,-0.3 3,-0.6 0.914 114.7 57.5 -71.2 -43.8 -78.4 31.2 15.8 162 216 A R H 3< S+ 0 0 47 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.787 103.8 54.6 -59.3 -30.2 -81.8 29.3 15.4 163 217 A S H 3< S+ 0 0 90 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.834 105.0 52.9 -70.0 -36.9 -82.8 30.4 18.9 164 218 A Q H << S+ 0 0 89 -4,-0.9 2,-1.6 -3,-0.6 -1,-0.2 0.575 85.8 102.8 -72.3 -10.9 -82.2 34.1 17.9 165 219 A L < + 0 0 10 -4,-0.6 2,-0.2 -3,-0.4 -1,-0.1 -0.559 42.8 154.9 -85.0 80.4 -84.4 33.7 14.9 166 220 A N >> - 0 0 82 -2,-1.6 4,-2.2 1,-0.0 3,-1.2 -0.495 64.2 -89.3 -91.2 175.9 -87.7 35.3 15.7 167 221 A E H 3> S+ 0 0 135 1,-0.3 4,-1.5 2,-0.2 -2,-0.1 0.628 126.9 63.6 -68.1 -10.5 -90.0 36.6 13.0 168 222 A K H 3> S+ 0 0 131 2,-0.2 4,-0.8 1,-0.1 -1,-0.3 0.876 109.0 40.2 -73.5 -38.9 -88.3 40.0 13.2 169 223 A V H <> S+ 0 0 14 -3,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.850 111.7 56.3 -75.0 -36.0 -85.1 38.2 12.0 170 224 A A H >X S+ 0 0 29 -4,-2.2 4,-1.5 1,-0.2 3,-0.7 0.919 103.7 55.2 -59.2 -43.2 -87.0 36.1 9.5 171 225 A Q H 3X S+ 0 0 122 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.821 102.9 56.9 -56.7 -35.4 -88.3 39.3 8.0 172 226 A L H 3X S+ 0 0 21 -4,-0.8 4,-0.5 1,-0.2 -1,-0.2 0.785 101.8 54.0 -70.8 -28.9 -84.7 40.4 7.6 173 227 A Y H XX S+ 0 0 8 -4,-1.2 4,-1.2 -3,-0.7 3,-0.7 0.860 103.9 56.6 -70.3 -35.3 -83.9 37.4 5.5 174 228 A A H 3< S+ 0 0 63 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.880 105.4 52.1 -59.3 -41.0 -86.8 38.3 3.3 175 229 A D H 3< S+ 0 0 55 -4,-1.4 3,-0.3 1,-0.1 -1,-0.3 0.698 101.5 66.0 -62.5 -24.2 -85.1 41.7 2.8 176 230 A L H << S+ 0 0 2 -3,-0.7 2,-0.6 -4,-0.5 -2,-0.2 0.991 110.3 18.7 -76.2 -62.7 -81.9 39.9 1.8 177 231 A D < - 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