==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-11 3AWK . COMPND 2 MOLECULE: CHALCONE SYNTHASE-LIKE POLYKETIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUPERZIA SERRATA; . AUTHOR H.MORITA,S.KONDO,R.KATO,S.SUGIO,T.KOHNO,I.ABE . 380 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.7 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 . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 2 0 1 2 2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 1 1 2 1 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 0 0 0 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 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 20 A V 0 0 179 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.6 -41.2 35.5 29.1 2 21 A I - 0 0 127 171,-0.0 171,-0.5 0, 0.0 0, 0.0 -0.761 360.0-171.8 -88.4 117.2 -41.7 35.3 32.9 3 22 A K - 0 0 99 -2,-0.6 168,-0.1 169,-0.1 167,-0.1 -0.795 32.0 -97.3-104.3 148.7 -39.5 37.7 34.8 4 23 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 169,-0.0 -0.353 25.1-145.0 -69.9 149.8 -39.2 37.6 38.6 5 24 A D + 0 0 153 2,-0.1 165,-0.0 -2,-0.0 168,-0.0 0.899 68.1 65.2 -80.3 -46.9 -41.3 40.1 40.7 6 25 A G S S- 0 0 21 1,-0.1 3,-0.1 213,-0.0 211,-0.0 -0.248 85.9 -89.6 -83.2 167.6 -39.2 41.0 43.7 7 26 A P - 0 0 35 0, 0.0 211,-0.4 0, 0.0 2,-0.1 -0.276 55.4 -82.7 -71.2 157.1 -35.9 42.9 44.2 8 27 A A E -A 230 0A 0 222,-0.5 222,-3.5 209,-0.1 2,-0.4 -0.432 55.7-160.5 -60.7 124.5 -32.5 41.2 44.2 9 28 A T E -AB 229 216A 2 207,-1.8 207,-2.4 220,-0.2 2,-0.6 -0.961 21.0-127.1-119.6 136.9 -32.1 39.9 47.7 10 29 A I E +AB 228 215A 0 218,-3.3 217,-2.8 -2,-0.4 218,-1.0 -0.694 28.1 179.1 -79.3 116.1 -28.9 38.8 49.6 11 30 A L E - 0 0 3 203,-3.4 214,-0.5 -2,-0.6 2,-0.3 0.515 62.5 -0.4 -97.9 -11.2 -29.8 35.3 50.8 12 31 A A E - B 0 214A 0 202,-0.8 202,-1.6 212,-0.1 2,-0.4 -0.927 54.9-153.5-173.8 149.9 -26.5 34.5 52.5 13 32 A I E - B 0 213A 1 -2,-0.3 2,-0.4 200,-0.2 200,-0.2 -0.996 14.6-179.6-134.6 130.9 -23.1 36.0 53.3 14 33 A G E - B 0 212A 1 198,-3.4 198,-3.4 -2,-0.4 2,-0.3 -0.984 6.2-166.6-131.6 140.5 -19.9 34.0 53.9 15 34 A T E - B 0 211A 35 -2,-0.4 2,-0.3 196,-0.2 196,-0.2 -0.930 7.1-179.8-129.7 156.1 -16.4 35.3 54.7 16 35 A S E - B 0 210A 4 194,-2.8 194,-3.0 -2,-0.3 80,-0.1 -0.979 4.2-179.5-150.7 155.8 -12.8 34.0 54.8 17 36 A N - 0 0 20 -2,-0.3 192,-0.2 192,-0.2 44,-0.1 -0.962 41.0 -90.8-151.4 152.6 -9.3 35.3 55.6 18 37 A P - 0 0 15 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.350 37.3-120.5 -66.8 155.1 -5.9 33.5 55.5 19 38 A T S S+ 0 0 127 41,-0.1 2,-0.8 2,-0.1 43,-0.1 0.631 84.4 97.6 -73.4 -16.5 -4.8 32.0 58.9 20 39 A N E -I 61 0B 61 41,-0.5 41,-2.4 2,-0.0 2,-0.4 -0.670 61.5-159.1 -81.7 109.0 -1.6 34.0 59.4 21 40 A I E -I 60 0B 96 -2,-0.8 2,-0.5 39,-0.2 39,-0.2 -0.785 7.1-166.8 -93.7 128.8 -2.5 36.9 61.7 22 41 A F E -I 59 0B 34 37,-3.0 37,-1.9 -2,-0.4 2,-0.2 -0.968 17.2-137.3-119.3 112.7 -0.2 39.9 61.8 23 42 A E E -I 58 0B 114 -2,-0.5 35,-0.3 35,-0.2 4,-0.2 -0.481 8.1-141.6 -67.0 135.3 -0.7 42.4 64.7 24 43 A Q S > S+ 0 0 3 33,-2.7 3,-0.7 1,-0.2 34,-0.1 0.820 96.8 65.6 -69.9 -29.4 -0.6 46.0 63.5 25 44 A S T 3 S+ 0 0 65 32,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.897 116.6 26.3 -57.6 -44.0 1.3 47.1 66.6 26 45 A T T 3> S+ 0 0 63 -3,-0.2 4,-1.5 1,-0.2 3,-0.4 0.213 90.9 105.5-106.5 11.7 4.4 45.1 65.6 27 46 A Y H <> S+ 0 0 5 -3,-0.7 4,-3.2 -4,-0.2 5,-0.2 0.878 76.1 58.0 -60.7 -39.1 3.8 45.0 61.8 28 47 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.873 103.7 54.0 -59.7 -32.9 6.6 47.6 61.2 29 48 A D H > S+ 0 0 83 -3,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.944 115.6 37.8 -62.4 -50.1 9.1 45.1 62.9 30 49 A F H X S+ 0 0 39 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.922 117.0 52.1 -65.6 -51.1 8.1 42.3 60.6 31 50 A F H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.890 111.8 42.9 -55.7 -49.3 7.7 44.5 57.5 32 51 A F H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 6,-0.4 0.724 114.3 54.2 -73.6 -18.5 11.1 46.2 57.7 33 52 A D H ><5S+ 0 0 76 -4,-0.9 3,-0.9 -5,-0.2 -2,-0.2 0.906 108.9 44.2 -81.2 -45.3 12.8 42.9 58.5 34 53 A V H 3<5S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.726 115.6 48.2 -72.7 -22.6 11.4 40.9 55.5 35 54 A T T 3<5S- 0 0 9 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.336 111.7-122.6 -97.0 4.6 12.2 43.7 53.1 36 55 A N T < 5S+ 0 0 122 -3,-0.9 3,-0.2 1,-0.1 -3,-0.2 0.830 74.6 126.8 55.3 41.2 15.7 44.0 54.6 37 56 A C > < + 0 0 11 -5,-2.7 3,-1.9 -6,-0.2 -4,-0.2 -0.019 18.7 123.0-113.9 27.7 15.2 47.7 55.5 38 57 A N T 3 S+ 0 0 67 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.762 71.3 61.6 -59.8 -26.2 16.1 47.5 59.2 39 58 A D T 3 S+ 0 0 153 -3,-0.2 2,-1.4 1,-0.2 -1,-0.3 0.571 82.2 83.4 -77.6 -13.0 18.8 50.2 58.5 40 59 A K <> + 0 0 71 -3,-1.9 4,-1.6 1,-0.2 -1,-0.2 -0.560 54.0 159.2 -92.5 68.7 16.1 52.7 57.5 41 60 A T H > + 0 0 89 -2,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.804 68.5 51.9 -61.9 -35.1 15.3 53.7 61.1 42 61 A E H > S+ 0 0 106 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.874 109.3 48.9 -71.9 -38.1 13.7 57.0 60.2 43 62 A L H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.845 107.3 57.4 -70.6 -31.8 11.3 55.5 57.7 44 63 A K H X S+ 0 0 52 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.861 104.4 51.0 -66.8 -37.1 10.4 52.8 60.3 45 64 A K H X S+ 0 0 136 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.885 111.7 47.7 -66.5 -41.2 9.2 55.6 62.7 46 65 A K H X S+ 0 0 104 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.894 113.6 47.2 -67.6 -38.9 7.1 57.1 60.0 47 66 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.823 109.3 54.1 -72.4 -31.7 5.6 53.7 59.1 48 67 A Q H X S+ 0 0 52 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.912 108.6 49.7 -67.5 -40.1 5.0 53.0 62.8 49 68 A R H X S+ 0 0 163 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.862 111.0 48.9 -66.4 -38.7 3.0 56.3 63.1 50 69 A I H X S+ 0 0 42 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.922 113.8 46.7 -68.0 -41.7 1.0 55.4 60.0 51 70 A C H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 5,-0.5 0.881 111.2 51.1 -67.8 -38.9 0.2 51.9 61.4 52 71 A D H 3< S+ 0 0 94 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.750 117.7 39.4 -70.2 -26.0 -0.7 53.3 64.9 53 72 A K H 3< S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.386 90.9 91.8-104.2 1.6 -3.1 55.8 63.3 54 73 A S S << S- 0 0 3 -3,-0.6 -1,-0.1 -4,-0.6 -2,-0.1 0.583 90.9-126.9 -72.4 -14.8 -4.5 53.4 60.7 55 74 A G S S+ 0 0 33 1,-0.3 2,-0.4 -4,-0.2 271,-0.1 0.616 71.5 124.4 75.8 10.8 -7.4 52.3 62.9 56 75 A I + 0 0 5 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.888 36.0 176.4-106.5 134.5 -6.3 48.7 62.2 57 76 A K S S- 0 0 149 266,-2.4 -33,-2.7 1,-0.4 -32,-0.5 0.725 70.9 -0.4-104.9 -34.6 -5.4 46.3 65.0 58 77 A K E -I 23 0B 57 265,-1.9 -1,-0.4 -35,-0.3 2,-0.3 -0.981 56.7-161.6-154.2 156.7 -4.7 43.1 63.0 59 78 A R E -I 22 0B 1 -37,-1.9 -37,-3.0 -2,-0.3 2,-0.5 -0.972 17.9-132.5-139.9 149.1 -4.6 41.9 59.4 60 79 A H E -I 21 0B 21 265,-0.4 148,-2.2 148,-0.4 2,-0.4 -0.909 29.2-175.8-105.2 131.2 -4.7 38.4 57.9 61 80 A F E -I 20 0B 7 -41,-2.4 -41,-0.5 -2,-0.5 123,-0.1 -0.984 34.9-158.5-132.7 143.2 -2.1 37.7 55.2 62 81 A H S S+ 0 0 37 -2,-0.4 5,-0.2 -43,-0.1 -1,-0.1 0.880 82.3 85.5 -76.8 -42.6 -1.3 34.8 52.9 63 82 A L + 0 0 6 -3,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.344 61.0 172.0 -62.6 130.6 2.2 36.2 52.6 64 83 A T > - 0 0 22 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.779 50.4 -93.6-129.3 178.9 4.5 35.1 55.4 65 84 A D H > S+ 0 0 56 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.930 126.0 49.2 -61.6 -43.2 8.3 35.4 56.2 66 85 A E H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.892 110.6 46.8 -64.1 -47.5 8.8 32.0 54.5 67 86 A I H > S+ 0 0 37 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.903 114.1 48.6 -65.5 -38.6 6.9 32.8 51.3 68 87 A L H < S+ 0 0 3 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.789 108.9 53.9 -71.6 -26.7 8.7 36.1 50.9 69 88 A R H < S+ 0 0 177 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.4 48.0 -73.8 -35.7 12.1 34.4 51.5 70 89 A K H < S+ 0 0 147 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.573 118.7 41.7 -80.2 -13.5 11.3 32.0 48.7 71 90 A N S >< S+ 0 0 40 -4,-0.6 3,-1.4 -5,-0.1 4,-0.4 -0.601 70.3 168.9-133.0 71.7 10.3 34.9 46.4 72 91 A P G > + 0 0 80 0, 0.0 3,-0.9 0, 0.0 4,-0.1 0.693 67.8 69.1 -60.6 -23.3 12.9 37.6 47.1 73 92 A S G > S+ 0 0 17 1,-0.2 3,-1.2 2,-0.2 6,-0.2 0.771 89.8 63.3 -68.4 -24.4 11.9 39.9 44.2 74 93 A I G < S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.3 117,-0.2 0.751 99.5 55.4 -70.5 -23.1 8.6 40.8 46.0 75 94 A C G < S+ 0 0 12 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.3 0.385 92.7 89.4 -89.5 -0.3 10.7 42.3 48.8 76 95 A K S < S- 0 0 101 -3,-1.2 115,-0.2 1,-0.1 -40,-0.1 -0.832 76.9-133.8-100.6 140.0 12.5 44.6 46.3 77 96 A F S S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.2 114,-0.1 0.898 90.6 -1.5 -58.4 -55.6 11.0 48.0 45.5 78 97 A K S S+ 0 0 173 2,-0.1 -1,-0.2 112,-0.1 3,-0.1 0.393 95.1 121.4-124.2 3.0 11.2 48.3 41.7 79 98 A E S S- 0 0 97 -6,-0.2 2,-0.3 1,-0.2 -3,-0.1 -0.295 81.4 -79.9 -68.7 150.5 12.8 45.0 40.5 80 99 A A S S+ 0 0 72 1,-0.2 172,-0.3 2,-0.1 -1,-0.2 -0.363 72.7 140.7 -55.1 110.6 10.9 42.7 38.1 81 100 A S > + 0 0 0 170,-2.6 4,-1.4 -2,-0.3 171,-0.2 0.351 28.2 104.5-139.8 6.9 8.5 40.9 40.4 82 101 A L H > S+ 0 0 35 169,-2.5 4,-2.7 1,-0.2 5,-0.2 0.902 78.9 60.4 -60.2 -40.5 5.1 40.5 38.6 83 102 A D H > S+ 0 0 120 168,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 108.0 38.8 -56.7 -54.1 5.7 36.8 37.9 84 103 A P H > S+ 0 0 22 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.847 116.0 54.6 -70.2 -25.3 6.1 35.4 41.5 85 104 A R H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.919 111.4 44.4 -67.7 -43.4 3.3 37.8 42.7 86 105 A Q H X S+ 0 0 32 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.919 107.6 58.2 -66.3 -45.7 0.9 36.4 40.0 87 106 A D H X S+ 0 0 115 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.866 115.3 37.9 -52.4 -39.1 2.0 32.7 40.7 88 107 A I H X S+ 0 0 17 -4,-1.5 4,-2.5 -5,-0.1 3,-0.5 0.959 119.6 45.6 -76.7 -54.2 0.8 33.3 44.3 89 108 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.885 107.0 56.1 -58.8 -46.9 -2.3 35.5 43.5 90 109 A V H < S+ 0 0 39 -4,-3.2 -1,-0.2 1,-0.2 -3,-0.1 0.803 117.4 36.3 -57.3 -34.6 -3.7 33.4 40.7 91 110 A L H X S+ 0 0 118 -4,-0.6 4,-0.9 -3,-0.5 -2,-0.2 0.877 120.6 44.4 -87.4 -41.9 -3.8 30.3 43.0 92 111 A E H X S+ 0 0 33 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.764 101.2 64.9 -78.2 -28.7 -4.7 31.9 46.3 93 112 A V H X S+ 0 0 2 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.949 110.2 35.6 -63.3 -50.2 -7.5 34.3 45.2 94 113 A P H > S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.791 115.5 57.4 -76.4 -22.2 -10.0 31.6 44.1 95 114 A K H X S+ 0 0 115 -4,-0.9 4,-1.2 2,-0.2 -2,-0.2 0.899 110.2 43.3 -69.3 -41.5 -8.9 29.3 47.0 96 115 A L H X S+ 0 0 14 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.883 113.2 52.3 -71.4 -36.8 -9.8 32.0 49.5 97 116 A A H X S+ 0 0 1 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.818 102.4 61.2 -67.4 -31.6 -13.0 32.7 47.7 98 117 A K H X S+ 0 0 65 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.899 103.8 47.9 -60.6 -44.7 -13.8 29.0 47.8 99 118 A E H X S+ 0 0 103 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.880 114.3 46.5 -66.1 -38.8 -13.9 29.0 51.6 100 119 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 112,-0.3 0.910 114.5 48.2 -69.0 -41.1 -16.1 32.1 51.7 101 120 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.882 108.4 52.7 -67.0 -41.6 -18.4 30.6 49.0 102 121 A I H X S+ 0 0 81 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.915 111.8 47.3 -60.6 -42.6 -18.7 27.2 50.9 103 122 A S H X S+ 0 0 50 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.852 113.7 47.9 -67.4 -35.6 -19.7 29.2 54.0 104 123 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.924 113.0 47.0 -71.2 -44.2 -22.2 31.3 51.9 105 124 A I H X S+ 0 0 22 -4,-3.1 4,-1.6 2,-0.2 5,-0.4 0.864 111.6 52.1 -65.5 -37.3 -23.7 28.2 50.3 106 125 A K H < S+ 0 0 180 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.908 110.8 46.7 -65.5 -43.3 -23.9 26.4 53.7 107 126 A Q H < S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 109.6 55.5 -68.4 -31.7 -25.8 29.4 55.2 108 127 A W H < S- 0 0 4 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.846 93.5-151.6 -69.5 -37.9 -28.1 29.5 52.1 109 128 A G < + 0 0 59 -4,-1.6 -3,-0.1 1,-0.3 -4,-0.1 0.309 56.0 109.8 82.3 -7.8 -29.1 25.8 52.6 110 129 A Q S S- 0 0 17 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.669 77.5 -91.8 -99.1 153.1 -29.7 25.1 48.9 111 130 A P > - 0 0 70 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.342 27.9-122.4 -66.0 148.0 -27.5 22.9 46.7 112 131 A K G > S+ 0 0 93 1,-0.3 3,-1.2 2,-0.2 30,-0.4 0.622 106.2 75.8 -62.8 -14.1 -24.7 24.5 44.6 113 132 A S G 3 S+ 0 0 72 1,-0.3 -1,-0.3 28,-0.1 29,-0.1 0.676 85.4 64.1 -70.8 -20.2 -26.3 23.1 41.5 114 133 A K G < S+ 0 0 92 -3,-1.9 2,-0.6 61,-0.0 62,-0.4 0.487 74.7 107.2 -82.5 -6.0 -29.0 25.9 41.8 115 134 A I < + 0 0 0 -3,-1.2 27,-0.4 1,-0.2 62,-0.2 -0.671 39.3 170.3 -77.5 116.4 -26.3 28.6 41.3 116 135 A T + 0 0 18 60,-1.8 30,-2.7 -2,-0.6 2,-0.3 0.659 60.0 36.5 -99.2 -27.9 -26.9 30.0 37.8 117 136 A H E -cd 146 177A 6 59,-1.6 61,-3.0 28,-0.2 2,-0.4 -0.940 57.9-162.2-130.2 155.4 -24.6 33.0 37.8 118 137 A L E -cd 147 178A 0 28,-2.9 30,-2.5 -2,-0.3 2,-0.5 -0.973 3.1-173.1-140.3 119.1 -21.2 33.9 39.3 119 138 A V E -cd 148 179A 0 59,-2.9 61,-2.7 -2,-0.4 2,-0.4 -0.971 13.3-176.3-113.7 121.9 -19.9 37.4 39.7 120 139 A F E -cd 149 180A 0 28,-2.5 30,-3.6 -2,-0.5 2,-0.4 -0.976 6.6-172.7-124.0 135.1 -16.2 37.6 40.8 121 140 A A E +cd 150 181A 0 59,-2.5 61,-2.0 -2,-0.4 2,-0.3 -0.985 15.1 148.5-130.7 132.4 -14.1 40.6 41.7 122 141 A T E -c 151 0A 1 28,-2.0 30,-1.9 -2,-0.4 31,-0.3 -0.972 31.1-173.2-157.3 148.6 -10.5 40.9 42.5 123 142 A T + 0 0 20 -2,-0.3 2,-1.4 59,-0.3 60,-0.1 0.264 68.8 101.6-119.4 4.5 -7.6 43.4 42.1 124 143 A S S S- 0 0 9 58,-0.5 -31,-0.2 1,-0.1 62,-0.1 -0.644 96.7 -46.3 -95.5 77.8 -5.1 40.8 43.3 125 144 A G - 0 0 3 -2,-1.4 2,-0.3 -32,-0.0 27,-0.3 0.162 59.6-111.6 82.1 161.2 -3.6 39.7 40.0 126 145 A V + 0 0 43 25,-0.1 2,-0.3 -3,-0.1 -36,-0.1 -0.972 33.2 163.6-132.2 146.6 -5.0 38.7 36.6 127 146 A D - 0 0 64 -2,-0.3 4,-0.2 -37,-0.1 -2,-0.0 -0.982 35.0-104.3-158.5 158.7 -5.2 35.4 34.7 128 147 A M S S+ 0 0 177 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.990 112.4 39.2-130.5 114.8 -6.9 33.6 31.8 129 148 A P S S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.571 111.7-129.2 -64.2 147.7 -9.0 31.6 32.6 130 149 A G > - 0 0 9 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.065 19.6 -96.5 -69.2 175.4 -10.1 34.0 35.3 131 150 A A H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.737 122.9 63.1 -63.9 -21.3 -10.6 33.6 39.0 132 151 A D H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 105.7 43.0 -68.6 -45.3 -14.4 33.2 38.2 133 152 A F H > S+ 0 0 78 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.912 114.0 52.3 -64.5 -47.0 -13.6 30.0 36.2 134 153 A Q H X S+ 0 0 43 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.838 111.1 46.3 -61.4 -32.5 -11.2 28.8 38.9 135 154 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.902 112.4 50.5 -75.5 -42.3 -13.9 29.3 41.7 136 155 A A H X>S+ 0 0 10 -4,-2.3 5,-2.2 2,-0.2 4,-1.0 0.892 112.8 47.3 -60.7 -40.4 -16.5 27.6 39.5 137 156 A K H <5S+ 0 0 143 -4,-2.7 3,-0.2 2,-0.2 -2,-0.2 0.917 112.1 48.8 -68.0 -46.3 -14.1 24.6 39.0 138 157 A L H <5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 117.3 41.5 -64.2 -35.9 -13.2 24.4 42.7 139 158 A L H <5S- 0 0 13 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.602 106.3-127.6 -86.3 -16.3 -16.8 24.5 43.8 140 159 A G T <5 + 0 0 45 -4,-1.0 -3,-0.2 -3,-0.2 -4,-0.1 0.885 44.2 173.1 69.9 39.0 -18.0 22.1 41.0 141 160 A L < - 0 0 13 -5,-2.2 -28,-0.1 1,-0.2 -1,-0.1 -0.245 47.2 -68.0 -71.2 167.7 -20.7 24.5 39.9 142 161 A R > - 0 0 92 -27,-0.4 3,-1.8 -30,-0.4 -1,-0.2 -0.259 42.3-126.2 -56.9 138.5 -22.7 23.7 36.7 143 162 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.684 110.2 60.5 -63.5 -11.2 -20.4 24.0 33.5 144 163 A T T 3 S+ 0 0 100 2,-0.1 -2,-0.1 -27,-0.0 2,-0.0 0.182 72.4 141.3 -99.0 12.9 -23.1 26.4 32.2 145 164 A V < - 0 0 10 -3,-1.8 2,-0.7 1,-0.1 -28,-0.2 -0.361 54.9-125.1 -60.3 128.0 -22.7 29.0 35.1 146 165 A K E -c 117 0A 108 -30,-2.7 -28,-2.9 -2,-0.0 2,-0.3 -0.745 33.8-158.1 -81.9 116.1 -23.0 32.5 33.7 147 166 A R E -c 118 0A 110 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.761 25.0-173.1-107.2 142.6 -19.9 34.4 34.7 148 167 A V E -c 119 0A 43 -30,-2.5 -28,-2.5 -2,-0.3 2,-0.7 -0.951 16.3-163.0-129.4 105.3 -19.0 38.1 35.1 149 168 A M E -c 120 0A 47 -2,-0.4 2,-0.9 -30,-0.2 -28,-0.2 -0.848 3.2-167.6 -98.1 111.4 -15.3 38.5 35.9 150 169 A L E -c 121 0A 32 -30,-3.6 -28,-2.0 -2,-0.7 3,-0.4 -0.809 12.6-177.1-102.8 92.0 -14.4 41.9 37.4 151 170 A Y E -c 122 0A 52 -2,-0.9 -28,-0.2 -30,-0.2 -25,-0.1 -0.709 59.7 -2.1 -92.7 144.3 -10.7 42.3 37.3 152 171 A Q S S+ 0 0 54 -30,-1.9 -29,-0.2 -2,-0.3 -1,-0.2 0.755 78.6 133.6 49.2 41.4 -8.7 45.3 38.7 153 172 A Q > - 0 0 63 -3,-0.4 3,-1.0 -31,-0.3 4,-0.2 0.360 49.7-154.5 -96.6 3.6 -11.7 47.4 39.8 154 173 A G G > - 0 0 5 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 -0.125 51.8 -15.2 64.1-149.2 -10.2 48.2 43.2 155 174 A X G 3 S+ 0 0 35 1,-0.3 209,-0.8 174,-0.2 -1,-0.2 0.374 127.3 61.2 -74.6 -2.5 -12.1 49.1 46.3 156 175 A Y G X> S+ 0 0 23 -3,-1.0 4,-1.8 207,-0.3 3,-1.0 0.483 78.8 92.2 -98.5 -5.8 -15.5 49.9 44.7 157 176 A A H <> S+ 0 0 1 -3,-1.3 4,-2.4 1,-0.3 5,-0.2 0.684 73.4 64.1 -62.6 -22.7 -15.8 46.3 43.4 158 177 A G H 3> S+ 0 0 1 2,-0.2 4,-0.7 -3,-0.2 -1,-0.3 0.840 110.8 40.2 -69.9 -30.9 -17.7 45.0 46.5 159 178 A A H <> S+ 0 0 0 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.861 112.4 56.3 -83.1 -34.8 -20.4 47.4 45.5 160 179 A T H X S+ 0 0 6 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.888 102.6 54.8 -64.1 -42.4 -20.0 46.7 41.7 161 180 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.844 110.4 46.2 -61.0 -35.1 -20.5 42.9 42.2 162 181 A L H X S+ 0 0 0 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.821 110.3 53.1 -75.7 -33.2 -23.8 43.6 43.9 163 182 A R H X S+ 0 0 62 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.902 114.1 42.9 -68.2 -38.5 -24.8 46.1 41.2 164 183 A V H X S+ 0 0 27 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.935 113.0 51.5 -71.4 -45.8 -24.1 43.4 38.6 165 184 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.780 102.1 64.1 -61.0 -30.0 -25.9 40.7 40.7 166 185 A K H X S+ 0 0 34 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.957 108.5 37.4 -58.8 -53.6 -28.9 43.0 40.9 167 186 A D H X S+ 0 0 103 -4,-1.2 4,-1.3 -3,-0.2 -2,-0.2 0.823 116.7 51.7 -70.5 -34.1 -29.6 42.9 37.2 168 187 A L H < S+ 0 0 33 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.910 115.8 41.4 -69.5 -40.6 -28.7 39.2 36.8 169 188 A A H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 48,-0.4 0.912 117.2 46.3 -72.6 -44.7 -31.0 38.2 39.6 170 189 A E H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.674 113.8 47.8 -74.6 -18.7 -33.9 40.5 38.7 171 190 A N T 3< S+ 0 0 84 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.2 0.447 105.3 60.6-102.1 -2.6 -33.9 39.7 35.0 172 191 A N S X S- 0 0 57 -3,-0.6 3,-2.0 -4,-0.4 45,-0.3 -0.946 80.2-128.0-133.2 115.0 -33.8 35.9 35.1 173 192 A K T 3 S+ 0 0 141 -171,-0.5 3,-0.1 -2,-0.4 -3,-0.1 -0.360 95.8 8.5 -62.0 127.4 -36.4 33.7 36.8 174 193 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 43,-0.2 2,-0.2 0.403 91.0 155.3 82.2 0.5 -35.0 31.3 39.3 175 194 A A < - 0 0 3 -3,-2.0 42,-0.5 -6,-0.3 2,-0.5 -0.394 23.4-172.3 -67.5 127.7 -31.5 32.9 39.0 176 195 A R E - E 0 216A 13 -62,-0.4 -60,-1.8 -2,-0.2 -59,-1.6 -0.979 11.4-155.7-124.1 108.8 -29.3 32.5 42.0 177 196 A V E -dE 117 215A 0 38,-3.5 38,-2.7 -2,-0.5 2,-0.6 -0.800 6.6-151.9 -93.0 121.9 -26.1 34.5 41.8 178 197 A L E -dE 118 214A 0 -61,-3.0 -59,-2.9 -2,-0.5 2,-0.4 -0.840 17.3-164.6 -90.4 122.2 -22.9 33.6 43.6 179 198 A V E -dE 119 213A 0 34,-3.3 34,-2.2 -2,-0.6 2,-0.4 -0.920 9.2-179.8-108.4 135.0 -21.0 36.8 44.3 180 199 A A E -dE 120 212A 0 -61,-2.7 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