==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-JUN-08 3DBM . COMPND 2 MOLECULE: CYTOCHROME P450 74A2; . SOURCE 2 ORGANISM_SCIENTIFIC: PARTHENIUM ARGENTATUM; . AUTHOR L.LI,X.WANG . 467 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.6 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 . 1 0.2 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 . 14 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 0 0 1 0 1 0 0 3 2 0 1 3 2 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 0 4 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 . 0 2 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 K 0 0 97 0, 0.0 356,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 78.4 69.0 32.2 42.8 2 7 A P - 0 0 93 0, 0.0 356,-2.5 0, 0.0 2,-0.4 -0.057 360.0 -99.5 -56.0 147.1 71.0 35.5 43.2 3 8 A L E +a 358 0A 107 354,-0.2 2,-0.3 356,-0.0 356,-0.2 -0.572 52.9 173.2 -72.0 122.1 69.6 39.0 42.6 4 9 A R E -a 359 0A 98 354,-2.5 356,-0.5 -2,-0.4 2,-0.4 -0.887 36.9-105.8-130.7 159.3 70.8 40.0 39.2 5 10 A E - 0 0 171 -2,-0.3 354,-0.1 354,-0.1 353,-0.0 -0.726 47.3-103.5 -85.8 132.0 70.2 43.0 36.8 6 11 A I - 0 0 5 -2,-0.4 41,-0.1 354,-0.2 -1,-0.1 -0.400 40.9-136.1 -58.7 118.3 68.0 42.0 33.9 7 12 A P + 0 0 16 0, 0.0 41,-3.1 0, 0.0 -1,-0.1 -0.181 57.6 72.3 -71.1 167.4 70.3 41.6 30.8 8 13 A G - 0 0 21 39,-0.2 2,-0.3 56,-0.1 41,-0.2 -0.034 61.8-120.3 104.5 150.2 69.4 43.0 27.4 9 14 A S - 0 0 81 39,-0.4 41,-0.2 1,-0.1 38,-0.0 -0.871 7.8-151.3-127.9 159.9 69.3 46.5 25.9 10 15 A Y - 0 0 48 -2,-0.3 6,-0.1 1,-0.1 -1,-0.1 0.528 40.0-165.5-103.8 -10.8 66.7 48.7 24.2 11 16 A G - 0 0 37 5,-0.1 -1,-0.1 4,-0.1 0, 0.0 0.069 47.7 -3.6 56.1-166.0 69.2 50.6 22.0 12 17 A I S > S- 0 0 115 1,-0.1 4,-1.3 2,-0.0 0, 0.0 -0.364 78.2-116.8 -59.3 132.8 68.6 53.8 20.1 13 18 A P T 4 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.550 100.5 18.5 -46.3 -25.6 64.9 54.9 20.5 14 19 A F T > S+ 0 0 113 3,-0.1 4,-1.1 2,-0.1 5,-0.1 0.746 122.9 49.1-117.4 -47.5 63.7 54.7 16.9 15 20 A F H > S+ 0 0 121 2,-0.2 4,-3.2 1,-0.2 3,-0.5 0.949 108.4 52.4 -59.2 -54.9 66.1 52.6 14.9 16 21 A Q H X S+ 0 0 48 -4,-1.3 4,-3.4 1,-0.2 5,-0.5 0.941 105.6 50.1 -50.9 -63.4 66.3 49.6 17.3 17 22 A P H > S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.827 117.6 44.0 -48.1 -32.0 62.6 48.9 17.7 18 23 A I H X S+ 0 0 39 -4,-1.1 4,-2.1 -3,-0.5 -2,-0.2 0.939 115.1 46.8 -76.0 -50.6 62.3 48.9 13.9 19 24 A K H X S+ 0 0 109 -4,-3.2 4,-1.6 2,-0.2 -3,-0.2 0.910 114.2 46.7 -56.7 -48.4 65.5 46.9 13.4 20 25 A D H X S+ 0 0 8 -4,-3.4 4,-3.3 1,-0.2 3,-0.3 0.940 108.3 58.5 -58.6 -47.7 64.5 44.2 16.0 21 26 A R H X S+ 0 0 10 -4,-1.3 4,-2.2 -5,-0.5 -2,-0.2 0.903 104.9 48.5 -47.2 -50.7 61.1 44.1 14.4 22 27 A L H X S+ 0 0 60 -4,-2.1 4,-3.1 1,-0.2 5,-0.5 0.860 111.8 51.2 -60.3 -35.8 62.6 43.2 11.1 23 28 A E H X S+ 0 0 67 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.966 107.6 51.3 -65.4 -51.9 64.5 40.6 12.9 24 29 A Y H < S+ 0 0 16 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.853 121.2 35.1 -51.8 -38.6 61.4 39.2 14.6 25 30 A F H < S+ 0 0 8 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.822 133.8 15.6 -91.1 -33.7 59.7 39.0 11.2 26 31 A Y H < S+ 0 0 68 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.460 85.5 117.6-124.0 -2.2 62.3 38.0 8.7 27 32 A G S >< S- 0 0 29 -4,-2.3 3,-2.0 -5,-0.5 2,-0.2 -0.430 78.2 -97.5 -67.7 140.6 65.4 36.7 10.5 28 33 A T T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.401 113.0 38.4 -60.4 125.0 66.2 33.1 9.8 29 34 A G T 3> S- 0 0 54 -2,-0.2 4,-1.2 -3,-0.1 3,-0.5 0.187 106.1-121.5 117.4 -11.5 64.7 31.0 12.5 30 35 A G H X> - 0 0 35 -3,-2.0 4,-1.2 1,-0.2 3,-0.5 -0.132 54.5 -44.6 70.6-172.9 61.6 33.0 12.9 31 36 A R H 3> S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.724 135.5 65.8 -65.3 -23.0 60.4 34.7 16.1 32 37 A D H >> S+ 0 0 76 -3,-0.5 4,-2.8 1,-0.2 3,-0.5 0.921 104.0 46.2 -64.3 -42.4 61.3 31.5 18.0 33 38 A E H S+ 0 0 27 -4,-0.4 4,-1.8 -3,-0.4 6,-0.3 0.813 108.3 56.0 -79.1 -30.6 68.8 36.1 23.0 39 44 A M H <>S+ 0 0 52 -4,-2.4 5,-1.6 1,-0.2 4,-0.4 0.916 114.1 41.4 -63.7 -42.4 68.3 33.4 25.7 40 45 A Q H ><5S+ 0 0 107 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.895 108.5 58.7 -72.1 -44.3 71.7 32.1 24.6 41 46 A K H 3<5S+ 0 0 153 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 119.9 26.9 -53.1 -49.5 73.4 35.5 24.3 42 47 A Y T 3<5S- 0 0 50 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.346 100.6-126.1 -98.2 6.2 72.8 36.6 27.9 43 48 A Q T < 5S+ 0 0 147 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.923 76.7 112.4 46.4 47.6 72.7 33.0 29.4 44 49 A S < - 0 0 5 -5,-1.6 -2,-0.2 -6,-0.3 -1,-0.2 -0.994 63.8-153.1-149.0 141.1 69.3 34.1 30.8 45 50 A T S S+ 0 0 35 -2,-0.3 22,-1.6 1,-0.1 2,-0.4 0.347 92.3 58.4 -96.0 6.5 65.7 33.1 30.1 46 51 A V E S+C 66 0B 0 20,-0.2 2,-0.3 21,-0.1 20,-0.2 -0.986 73.3 141.2-135.1 119.2 64.5 36.6 31.3 47 52 A F E -C 65 0B 0 18,-1.2 18,-3.5 -2,-0.4 2,-0.3 -0.957 48.8 -89.5-153.8 171.0 65.9 39.6 29.4 48 53 A R E +C 64 0B 45 -41,-3.1 -39,-0.4 -2,-0.3 2,-0.3 -0.612 51.3 149.2 -87.5 145.7 65.2 43.0 28.0 49 54 A A E -C 63 0B 2 14,-2.0 14,-2.6 -2,-0.3 2,-0.3 -0.993 43.6-112.9-168.2 163.5 63.9 43.5 24.5 50 55 A N E -C 62 0B 3 -2,-0.3 12,-0.2 12,-0.2 -41,-0.0 -0.682 33.2-160.0 -96.6 156.2 61.8 45.4 21.9 51 56 A M > - 0 0 2 10,-0.9 3,-0.5 -2,-0.3 -30,-0.1 -0.974 23.7 -70.0-137.2 151.5 58.7 43.8 20.5 52 57 A P T 3 S+ 0 0 5 0, 0.0 38,-0.4 0, 0.0 152,-0.1 -0.212 99.7 45.5 -61.4 169.4 56.7 44.4 17.3 53 58 A P T 3 S+ 0 0 1 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.990 76.9 156.2 -82.8 -13.1 54.8 46.4 16.0 54 59 A G <> + 0 0 0 -3,-0.5 4,-2.7 1,-0.1 3,-0.4 -0.286 40.0 46.3 69.7-149.3 57.0 49.2 17.2 55 60 A P T 4 S- 0 0 18 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.441 118.8 -1.6 8.4-125.5 57.2 52.7 15.4 56 61 A F T 4 S+ 0 0 128 164,-0.2 165,-0.1 1,-0.2 164,-0.1 0.754 133.4 47.8 -63.1 -28.1 53.9 54.4 14.6 57 62 A V T 4 S+ 0 0 9 -3,-0.4 2,-0.4 162,-0.3 35,-0.3 0.802 116.7 43.9 -83.2 -25.0 51.4 51.8 15.7 58 63 A S < - 0 0 4 -4,-2.7 -1,-0.2 -3,-0.5 33,-0.1 -0.971 58.0-168.1-123.8 130.3 53.1 51.3 19.1 59 64 A S S S+ 0 0 129 -2,-0.4 -1,-0.1 1,-0.2 32,-0.1 0.469 83.9 37.4 -92.4 -2.7 54.4 54.1 21.4 60 65 A N + 0 0 62 30,-0.5 -1,-0.2 -6,-0.1 -6,-0.1 -0.709 53.5 167.0-152.7 95.2 56.4 51.8 23.7 61 66 A P + 0 0 18 0, 0.0 -10,-0.9 0, 0.0 2,-0.3 0.620 45.3 113.4 -82.3 -14.5 58.2 48.7 22.3 62 67 A K E +C 50 0B 94 -12,-0.2 304,-0.4 -14,-0.0 2,-0.3 -0.419 38.0 148.1 -68.9 125.1 60.2 48.1 25.5 63 68 A V E -C 49 0B 0 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.5 -0.848 45.8-115.6-143.9 179.1 59.4 44.9 27.4 64 69 A I E -Cd 48 367B 0 302,-1.5 304,-3.3 -2,-0.3 2,-0.4 -0.994 34.0-136.3-123.7 119.7 61.0 42.2 29.7 65 70 A V E -Cd 47 368B 0 -18,-3.5 -18,-1.2 -2,-0.5 2,-0.5 -0.661 13.6-163.6 -86.4 128.0 60.9 38.7 28.1 66 71 A L E +Cd 46 369B 0 302,-3.5 304,-1.9 -2,-0.4 308,-0.2 -0.932 21.7 157.2-108.4 127.2 59.9 35.6 30.2 67 72 A L + 0 0 8 -22,-1.6 2,-0.2 -2,-0.5 -21,-0.1 0.533 49.0 76.6-124.8 -12.3 60.8 32.3 28.7 68 73 A D S > S- 0 0 3 -23,-0.4 4,-2.1 1,-0.1 306,-0.2 -0.684 76.4-123.6-105.6 158.7 60.9 29.9 31.7 69 74 A A T 4 S+ 0 0 6 -2,-0.2 -1,-0.1 305,-0.2 305,-0.1 0.697 107.7 61.0 -68.0 -22.3 58.2 28.2 33.7 70 75 A K T 4 S+ 0 0 81 2,-0.1 283,-0.2 1,-0.1 -1,-0.2 0.939 116.2 26.0 -72.7 -49.0 59.5 29.7 36.9 71 76 A S T >4 S+ 0 0 3 1,-0.2 3,-2.1 2,-0.1 4,-0.3 0.891 104.0 78.4 -82.7 -43.4 59.1 33.4 36.0 72 77 A F G >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 4,-0.2 0.742 80.1 71.3 -36.3 -41.1 56.2 33.1 33.5 73 78 A P G >> S+ 0 0 46 0, 0.0 3,-3.3 0, 0.0 4,-0.9 0.800 76.6 77.2 -51.7 -36.0 53.5 32.7 36.3 74 79 A I G <4 S+ 0 0 18 -3,-2.1 3,-0.3 1,-0.3 7,-0.3 0.801 83.3 69.5 -46.8 -30.4 53.8 36.3 37.5 75 80 A L G <4 S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.3 -3,-0.1 0.742 97.1 50.0 -62.7 -23.4 51.7 37.2 34.4 76 81 A F T <4 S+ 0 0 30 -3,-3.3 2,-1.6 -4,-0.2 343,-0.3 0.807 85.6 94.8 -83.6 -31.4 48.7 35.5 35.9 77 82 A D >X - 0 0 58 -4,-0.9 3,-2.2 -3,-0.3 4,-2.2 -0.437 52.4-177.6 -64.3 84.7 49.0 37.3 39.2 78 83 A V T 34 S+ 0 0 33 -2,-1.6 -1,-0.2 1,-0.3 5,-0.1 0.610 76.0 72.4 -62.6 -11.3 46.6 40.2 38.6 79 84 A S T 34 S+ 0 0 85 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.700 114.1 24.2 -76.3 -17.2 47.6 41.6 42.0 80 85 A K T <4 S+ 0 0 55 -3,-2.2 267,-2.9 -6,-0.2 268,-0.6 0.687 120.0 53.4-118.0 -32.6 50.9 42.6 40.5 81 86 A V E < S-E 346 0B 0 -4,-2.2 2,-0.3 -7,-0.3 265,-0.2 -0.848 73.1-136.8-108.2 146.8 50.5 42.9 36.7 82 87 A E E -E 345 0B 52 263,-2.8 263,-2.0 -2,-0.4 -3,-0.1 -0.701 7.1-160.9 -95.2 151.4 47.8 45.1 35.2 83 88 A K + 0 0 17 -2,-0.3 2,-0.5 261,-0.2 3,-0.3 -0.212 38.1 139.6-127.3 43.9 45.9 43.8 32.2 84 89 A K S S- 0 0 91 1,-0.2 23,-0.2 2,-0.1 22,-0.1 -0.806 78.8 -24.0 -97.0 122.6 44.5 47.1 30.7 85 90 A D S S+ 0 0 50 21,-3.5 4,-0.2 -2,-0.5 -1,-0.2 0.781 106.5 104.9 49.9 38.0 44.5 47.4 26.9 86 91 A L + 0 0 5 -3,-0.3 257,-0.3 19,-0.2 -1,-0.1 0.083 28.3 120.9-130.5 23.4 47.3 44.8 26.3 87 92 A F S S+ 0 0 74 1,-0.2 3,-0.1 -4,-0.1 5,-0.1 0.871 94.4 27.8 -54.7 -37.4 45.2 41.9 25.0 88 93 A T S S- 0 0 19 3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.926 120.8-106.0 -90.6 -54.1 47.3 42.1 21.9 89 94 A G S S- 0 0 4 2,-1.0 2,-0.7 -4,-0.2 -1,-0.3 -0.851 78.6 -0.9 168.2-130.7 50.5 43.6 23.3 90 95 A T S S+ 0 0 19 -38,-0.4 -30,-0.5 -2,-0.3 2,-0.3 -0.156 127.0 42.9 -83.7 40.1 52.3 47.0 23.3 91 96 A Y S S- 0 0 14 -2,-0.7 -2,-1.0 -6,-0.2 -3,-0.3 -0.903 71.3-140.5-175.9 152.0 49.4 48.4 21.1 92 97 A M - 0 0 34 -35,-0.3 3,-0.1 -2,-0.3 -6,-0.0 -0.987 29.2-112.5-130.6 123.1 45.6 48.2 21.0 93 98 A P - 0 0 4 0, 0.0 107,-0.1 0, 0.0 108,-0.1 -0.191 52.2 -86.1 -50.6 136.4 43.6 47.8 17.7 94 99 A S > - 0 0 45 1,-0.2 3,-1.5 106,-0.1 6,-0.1 -0.130 30.4-129.9 -48.2 140.8 41.6 51.0 17.1 95 100 A T G > >S+ 0 0 48 1,-0.3 3,-2.7 2,-0.2 5,-2.2 0.680 101.7 79.4 -66.3 -20.5 38.2 50.9 18.8 96 101 A K G > 5S+ 0 0 149 1,-0.3 3,-0.6 3,-0.2 -1,-0.3 0.780 87.1 60.7 -58.6 -24.8 36.6 51.9 15.5 97 102 A L G < 5S+ 0 0 9 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.375 109.0 43.4 -83.5 5.0 37.0 48.2 14.7 98 103 A T G X 5S- 0 0 4 -3,-2.7 3,-1.4 3,-0.1 -1,-0.2 -0.221 126.2 -81.8-146.2 50.7 34.8 47.3 17.7 99 104 A G T < 5S- 0 0 32 -3,-0.6 -3,-0.2 1,-0.3 3,-0.1 0.498 79.5 -70.8 66.4 6.2 31.8 49.7 17.8 100 105 A G T 3 - 0 0 0 -2,-0.8 3,-1.7 159,-0.1 4,-0.3 -0.230 21.7 -94.6 -71.2 162.0 35.5 45.3 24.6 104 109 A L G > S+ 0 0 14 1,-0.3 3,-2.9 2,-0.2 14,-0.1 0.827 115.0 64.4 -39.8 -56.2 36.0 42.9 27.5 105 110 A S G 3 S+ 0 0 19 1,-0.3 -1,-0.3 158,-0.1 -19,-0.2 0.769 103.4 49.8 -45.1 -32.7 39.3 41.3 26.5 106 111 A Y G < S+ 0 0 4 -3,-1.7 -21,-3.5 -21,-0.1 -1,-0.3 0.412 92.6 103.8 -89.3 0.2 41.1 44.6 26.9 107 112 A L < - 0 0 2 -3,-2.9 -23,-0.1 -4,-0.3 -21,-0.0 -0.598 65.9-131.9 -92.9 145.9 39.7 45.4 30.3 108 113 A D > - 0 0 7 -2,-0.2 3,-2.9 1,-0.1 6,-0.3 -0.666 28.1-117.2 -87.3 143.7 41.4 45.1 33.7 109 114 A P T 3 S+ 0 0 30 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.712 114.1 70.4 -56.8 -12.8 39.4 43.3 36.4 110 115 A S T 3 S+ 0 0 91 4,-0.1 3,-0.1 307,-0.1 307,-0.1 0.409 81.8 89.6 -82.1 3.7 39.5 46.6 38.3 111 116 A E S X> S- 0 0 31 -3,-2.9 3,-3.0 1,-0.2 4,-0.8 -0.909 78.4-139.5-104.5 117.9 37.1 47.9 35.7 112 117 A P H 3> S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.863 102.5 59.6 -38.6 -53.3 33.4 47.3 36.5 113 118 A R H 3> S+ 0 0 73 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.729 95.3 66.5 -51.9 -24.9 32.6 46.3 32.9 114 119 A H H <> S+ 0 0 2 -3,-3.0 4,-2.3 -6,-0.3 -1,-0.2 0.988 106.6 37.0 -61.0 -58.4 35.1 43.5 33.2 115 120 A A H X S+ 0 0 31 -4,-0.8 4,-1.8 -3,-0.5 -2,-0.2 0.837 120.5 52.0 -61.4 -33.3 33.1 41.6 35.8 116 121 A Q H X S+ 0 0 44 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.936 113.7 38.5 -69.7 -51.2 29.9 42.7 33.9 117 122 A L H X S+ 0 0 1 -4,-3.5 4,-1.6 2,-0.2 -2,-0.2 0.768 114.6 55.7 -73.8 -25.6 30.9 41.6 30.4 118 123 A K H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.943 108.7 46.2 -72.1 -45.4 32.5 38.4 31.7 119 124 A N H X S+ 0 0 71 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.912 109.0 56.8 -60.7 -40.8 29.4 37.3 33.5 120 125 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.3 -1,-0.2 0.900 110.2 44.9 -56.3 -40.3 27.5 38.2 30.3 121 126 A L H X S+ 0 0 16 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.844 107.3 57.8 -72.7 -32.7 29.8 35.8 28.6 122 127 A F H X S+ 0 0 55 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.837 106.7 50.6 -65.2 -31.3 29.4 33.2 31.3 123 128 A F H X S+ 0 0 46 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.918 105.1 54.7 -70.9 -44.7 25.7 33.3 30.6 124 129 A M H < S+ 0 0 4 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.860 115.1 41.4 -57.0 -36.6 26.1 32.8 26.9 125 130 A L H >< S+ 0 0 28 -4,-1.7 3,-2.1 2,-0.2 4,-0.3 0.981 120.0 39.8 -74.0 -62.4 28.1 29.6 27.6 126 131 A K H >< S+ 0 0 147 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.931 112.5 57.8 -52.3 -49.1 26.1 28.1 30.4 127 132 A N T 3< S+ 0 0 64 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.558 115.7 37.5 -62.4 -6.1 22.9 29.1 28.6 128 133 A S T X> S+ 0 0 0 -3,-2.1 2,-2.2 -5,-0.2 3,-1.6 0.261 80.0 112.4-127.5 9.0 24.1 27.1 25.7 129 134 A S T <4 S+ 0 0 74 -3,-2.1 -3,-0.1 -4,-0.3 -4,-0.1 -0.340 75.8 56.6 -80.8 58.0 25.7 24.2 27.6 130 135 A N T 34 S+ 0 0 144 -2,-2.2 -1,-0.2 44,-0.1 -2,-0.1 0.275 102.8 48.6-158.8 -16.4 23.0 21.8 26.3 131 136 A R T <> S+ 0 0 59 -3,-1.6 4,-3.2 43,-0.1 5,-0.4 0.597 91.2 86.1-103.2 -20.2 23.4 22.2 22.6 132 137 A V H X S+ 0 0 7 -4,-1.1 4,-1.6 1,-0.2 5,-0.1 0.915 96.2 32.3 -46.0 -64.8 27.2 21.8 22.7 133 138 A I H > S+ 0 0 32 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.943 124.8 44.0 -64.6 -49.6 27.4 18.0 22.5 134 139 A P H > S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.985 118.4 43.3 -59.5 -56.3 24.3 17.5 20.3 135 140 A Q H X S+ 0 0 42 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.730 109.9 58.7 -62.4 -23.4 25.1 20.3 18.0 136 141 A F H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.4 5,-0.3 0.969 105.3 45.9 -72.4 -51.7 28.7 19.3 17.8 137 142 A E H X S+ 0 0 50 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.957 112.2 54.6 -52.3 -50.9 28.2 15.8 16.5 138 143 A T H < S+ 0 0 66 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.855 111.8 42.7 -49.8 -44.2 25.7 17.3 14.0 139 144 A T H X S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.2 -1,-0.2 0.826 117.7 41.7 -78.4 -33.0 28.3 19.7 12.6 140 145 A Y H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.693 107.0 60.9 -88.7 -15.8 31.3 17.5 12.4 141 146 A T H < S+ 0 0 46 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.592 107.4 49.0 -81.2 -8.9 29.4 14.6 11.0 142 147 A E H > S+ 0 0 63 -5,-0.3 4,-3.4 -4,-0.2 -2,-0.2 0.835 115.0 45.8 -87.3 -43.9 28.7 17.0 8.2 143 148 A L H X S+ 0 0 4 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.924 113.0 42.8 -64.0 -57.3 32.3 17.8 8.0 144 149 A F H X S+ 0 0 9 -4,-3.2 4,-2.4 2,-0.2 3,-0.3 0.971 117.8 51.5 -56.7 -51.3 34.0 14.4 8.1 145 150 A E H >> S+ 0 0 105 -5,-0.4 4,-1.7 -4,-0.3 3,-1.4 0.959 110.2 46.2 -46.0 -66.2 31.2 13.4 5.7 146 151 A G H 3X S+ 0 0 43 -4,-3.4 4,-1.3 1,-0.3 -1,-0.3 0.790 114.8 49.6 -47.8 -33.8 31.9 16.3 3.4 147 152 A L H 3X S+ 0 0 6 -4,-2.4 4,-1.1 -3,-0.3 -1,-0.3 0.768 103.2 59.9 -77.2 -30.1 35.6 15.5 3.7 148 153 A E H + 0 0 5 299,-3.2 4,-3.2 3,-0.1 5,-0.3 0.892 68.8 70.0 -95.2 -50.9 41.1 20.5 6.3 160 165 A N H > S+ 0 0 21 298,-0.8 4,-1.8 1,-0.2 5,-0.2 0.822 100.7 39.1 -34.4 -71.0 41.6 24.1 7.3 161 166 A D H > S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.915 121.2 42.6 -53.7 -52.6 39.0 26.0 5.3 162 167 A V H > S+ 0 0 50 -4,-0.2 4,-2.3 1,-0.2 3,-0.3 0.933 111.9 56.8 -59.0 -47.8 36.1 23.5 5.6 163 168 A G H X S+ 0 0 7 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.805 105.4 51.0 -54.5 -34.2 37.0 23.0 9.2 164 169 A E H X S+ 0 0 12 -4,-1.8 4,-2.6 -3,-0.3 -1,-0.2 0.867 107.7 51.4 -72.7 -38.6 36.6 26.7 9.9 165 170 A Q H X S+ 0 0 53 -4,-1.6 4,-1.5 -3,-0.3 -2,-0.2 0.888 112.8 46.2 -64.1 -39.9 33.1 26.8 8.2 166 171 A A H X S+ 0 0 0 -4,-2.3 4,-3.6 2,-0.2 5,-0.3 0.923 109.4 56.0 -66.5 -45.4 32.1 23.9 10.4 167 172 A A H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.3 -2,-0.2 0.921 112.6 40.3 -52.7 -49.4 33.6 25.7 13.4 168 173 A F H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.769 113.9 54.8 -73.4 -24.9 31.5 28.7 12.8 169 174 A R H X S+ 0 0 19 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.933 110.8 45.8 -70.2 -45.5 28.5 26.5 11.9 170 175 A F H X S+ 0 0 3 -4,-3.6 4,-2.4 1,-0.2 5,-0.3 0.859 111.4 52.2 -64.6 -38.0 28.9 24.7 15.3 171 176 A L H X>S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.3 5,-0.6 0.953 112.0 43.8 -65.9 -49.0 29.3 28.0 17.2 172 177 A G H X5S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 6,-1.6 0.961 113.5 53.6 -59.4 -49.4 26.1 29.6 15.8 173 178 A R H X5S+ 0 0 26 -4,-2.4 4,-1.7 4,-0.3 -2,-0.2 0.933 120.1 29.8 -47.7 -58.3 24.3 26.3 16.3 174 179 A A H <5S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.965 123.3 43.3 -72.4 -58.1 25.2 26.0 20.0 175 180 A Y H <5S+ 0 0 7 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.927 140.4 9.2 -56.8 -43.3 25.6 29.5 21.2 176 181 A F H < - 0 0 23 -2,-0.4 3,-1.9 -7,-0.2 -10,-0.1 -0.884 14.7-164.4-101.8 104.3 22.9 27.7 11.4 180 185 A P G > S+ 0 0 2 0, 0.0 3,-2.1 0, 0.0 6,-0.6 0.758 83.7 70.9 -59.0 -26.9 24.6 30.8 9.9 181 186 A E G 3 S+ 0 0 58 1,-0.3 6,-0.2 4,-0.1 -12,-0.0 0.416 92.3 60.3 -72.4 3.9 24.9 29.1 6.6 182 187 A E G < S+ 0 0 156 -3,-1.9 -1,-0.3 4,-0.1 2,-0.2 0.324 99.8 66.6-109.4 4.9 21.1 29.6 6.3 183 188 A T S X S- 0 0 52 -3,-2.1 3,-1.6 3,-0.1 55,-0.0 -0.485 110.3 -80.8-110.7-175.1 21.3 33.4 6.6 184 189 A K T 3 S+ 0 0 214 1,-0.3 -3,-0.1 -2,-0.2 50,-0.0 0.842 119.0 76.4 -57.6 -34.2 22.8 35.9 4.2 185 190 A L T > S- 0 0 15 -5,-0.2 3,-1.7 49,-0.2 -1,-0.3 0.739 77.3-176.3 -49.3 -27.9 26.3 35.1 5.5 186 191 A G T < - 0 0 24 -3,-1.6 -3,-0.1 -6,-0.6 -4,-0.1 -0.188 60.8 -41.4 58.2-157.0 26.4 31.9 3.6 187 192 A T T 3 S+ 0 0 77 1,-0.2 2,-0.4 -6,-0.2 -1,-0.2 0.158 120.4 97.0 -88.7 20.8 29.4 29.7 4.1 188 193 A S < + 0 0 56 -3,-1.7 4,-0.5 1,-0.2 -1,-0.2 -0.401 42.6 100.5-109.5 56.1 31.5 32.9 4.0 189 194 A A S > S+ 0 0 2 -2,-0.4 4,-3.1 2,-0.2 5,-0.3 0.803 75.0 59.9-100.6 -46.5 32.0 33.8 7.6 190 195 A P H > S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.855 109.6 47.3 -49.2 -35.3 35.6 32.5 8.1 191 196 A T H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.923 111.0 48.8 -73.7 -44.9 36.5 34.9 5.3 192 197 A L H > S+ 0 0 24 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.940 113.6 48.5 -57.2 -48.6 34.7 37.9 6.8 193 198 A I H X S+ 0 0 2 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.852 112.2 47.7 -60.9 -40.8 36.2 37.2 10.2 194 199 A S H X S+ 0 0 38 -4,-1.7 4,-3.6 -5,-0.3 5,-0.3 0.987 110.2 51.1 -64.8 -57.8 39.7 36.9 8.7 195 200 A S H X S+ 0 0 49 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.869 116.7 43.1 -44.9 -43.4 39.4 40.1 6.7 196 201 A W H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.879 113.9 47.7 -73.5 -42.9 38.2 41.8 10.0 197 202 A V H X S+ 0 0 26 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.894 106.3 60.2 -67.4 -36.5 40.8 40.3 12.3 198 203 A L H X S+ 0 0 54 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.936 101.2 53.2 -55.8 -48.2 43.5 41.1 9.8 199 204 A F H < S+ 0 0 32 -4,-1.4 24,-0.5 -5,-0.3 -1,-0.2 0.940 114.9 42.2 -52.6 -47.0 42.7 44.8 10.1 200 205 A N H < S+ 0 0 2 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.969 125.1 30.3 -62.4 -60.5 43.0 44.5 13.9 201 206 A L H >X S+ 0 0 34 -4,-2.9 3,-2.7 1,-0.2 4,-0.6 0.525 84.4 113.0 -82.1 -7.3 46.2 42.3 14.2 202 207 A A G >< S+ 0 0 1 -4,-2.4 3,-1.2 -5,-0.4 -1,-0.2 0.774 70.1 60.3 -34.0 -48.1 47.9 43.5 11.0 203 208 A P G 34 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.735 116.7 29.5 -59.6 -24.6 50.7 45.3 12.9 204 209 A T G <4 S+ 0 0 35 -3,-2.7 2,-0.4 -152,-0.1 -2,-0.2 0.213 98.3 105.5-121.7 16.8 52.0 42.1 14.6 205 210 A L << - 0 0 48 -3,-1.2 2,-0.6 -4,-0.6 13,-0.0 -0.818 53.9-154.5-100.5 132.9 51.0 39.6 12.0 206 211 A D + 0 0 42 -2,-0.4 -2,-0.0 247,-0.1 -4,-0.0 -0.936 12.3 179.2-103.5 118.6 53.5 37.9 9.7 207 212 A L - 0 0 62 -2,-0.6 -1,-0.1 2,-0.1 247,-0.1 0.343 54.1-108.3 -97.5 3.9 51.6 36.8 6.5 208 213 A G S S+ 0 0 62 1,-0.3 3,-0.1 -183,-0.1 -2,-0.1 0.760 74.7 142.2 75.7 23.2 54.8 35.4 5.1 209 214 A L - 0 0 81 1,-0.2 -1,-0.3 2,-0.0 4,-0.1 -0.618 62.0 -75.1 -96.0 156.8 55.0 38.3 2.6 210 215 A P >> - 0 0 52 0, 0.0 4,-2.8 0, 0.0 3,-1.8 -0.113 38.7-124.1 -48.5 143.5 58.1 40.1 1.5 211 216 A W H 3> S+ 0 0 150 1,-0.3 4,-1.9 2,-0.2 -2,-0.0 0.792 111.4 60.6 -62.0 -29.0 59.5 42.6 4.0 212 217 A F H 34 S+ 0 0 120 2,-0.2 -1,-0.3 1,-0.2 5,-0.0 0.270 113.7 36.9 -83.3 12.7 59.2 45.4 1.4 213 218 A L H <> S+ 0 0 72 -3,-1.8 4,-1.7 -4,-0.1 5,-0.4 0.585 118.8 45.3-122.7 -48.4 55.5 44.8 1.3 214 219 A Q H X>S+ 0 0 0 -4,-2.8 5,-2.2 3,-0.2 4,-2.0 0.879 109.4 55.2 -67.2 -42.2 54.7 43.9 4.9 215 220 A E H <5S+ 0 0 13 -4,-1.9 5,-0.3 -5,-0.3 4,-0.2 0.947 116.9 31.7 -62.8 -50.4 56.7 46.7 6.4 216 221 A P H 45S+ 0 0 69 0, 0.0 4,-0.4 0, 0.0 5,-0.3 0.978 129.5 36.0 -72.1 -49.0 55.1 49.7 4.6 217 222 A L H <5S+ 0 0 112 -4,-1.7 -3,-0.2 1,-0.1 -2,-0.2 0.877 134.3 12.2 -72.1 -42.0 51.6 48.3 4.2 218 223 A L T <5S+ 0 0 19 -4,-2.0 -3,-0.2 -5,-0.4 -13,-0.1 0.727 123.5 46.2-111.4 -25.6 51.0 46.3 7.4 219 224 A H S > - 0 0 61 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.329 32.5-150.8 -53.0 115.1 41.9 52.5 7.6 225 230 A A H >> S+ 0 0 21 1,-0.3 4,-1.9 2,-0.2 3,-1.0 0.870 89.0 70.4 -58.0 -40.0 39.0 51.1 9.6 226 231 A F H 34 S+ 0 0 154 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.776 90.9 63.2 -52.1 -26.7 36.4 52.4 7.2 227 232 A L H <4 S+ 0 0 96 -3,-1.4 3,-0.5 1,-0.2 4,-0.3 0.936 108.2 37.9 -65.3 -45.1 37.6 49.9 4.7 228 233 A I H XX S+ 0 0 4 -3,-1.0 4,-1.8 -4,-0.6 3,-1.2 0.785 91.6 96.6 -75.7 -27.4 36.5 46.9 6.8 229 234 A K H 3X S+ 0 0 88 -4,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.738 80.1 52.5 -29.0 -51.8 33.4 48.6 8.1 230 235 A S H 3> S+ 0 0 82 -4,-0.5 4,-1.1 -3,-0.5 3,-0.3 0.937 111.7 45.5 -56.6 -50.2 31.1 47.0 5.5 231 236 A T H <> S+ 0 0 26 -3,-1.2 4,-1.1 -4,-0.3 3,-0.2 0.847 107.6 58.3 -61.8 -39.5 32.3 43.5 6.3 232 237 A Y H X S+ 0 0 4 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.834 103.5 52.1 -63.0 -34.8 32.0 44.1 10.1 233 238 A N H X S+ 0 0 61 -4,-1.6 4,-3.3 -3,-0.3 -1,-0.2 0.816 99.3 63.2 -72.4 -29.8 28.3 44.9 9.8 234 239 A K H X S+ 0 0 106 -4,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.871 112.0 38.0 -60.5 -36.7 27.6 41.7 7.9 235 240 A L H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.827 113.5 56.6 -81.4 -36.0 28.7 39.9 11.0 236 241 A Y H X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.902 103.7 53.7 -62.6 -41.7 27.1 42.5 13.3 237 242 A D H X S+ 0 0 94 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.928 108.4 50.9 -58.7 -45.3 23.7 41.9 11.6 238 243 A Y H >< S+ 0 0 6 -4,-1.0 3,-0.6 -5,-0.2 4,-0.4 0.973 113.7 41.1 -57.2 -59.4 24.0 38.2 12.3 239 244 A F H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-1.1 0.859 109.3 59.9 -60.3 -36.8 24.8 38.4 16.0 240 245 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