==== 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 BIOSYNTHETIC PROTEIN 02-DEC-03 1RP0 . COMPND 2 MOLECULE: THIAZOLE BIOSYNTHETIC ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR P.H.C.GODOI,M.A.VAN SLUYS,C.F.M.MENCK,G.OLIVA . 556 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 10.4 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 39 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 2 0 0 4 2 0 0 4 0 2 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 0 2 2 4 0 0 0 2 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 2 0 0 0 0 2 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 Y 0 0 234 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 160.2 33.3 57.0 42.8 2 8 A D > - 0 0 83 3,-0.4 3,-1.8 1,-0.1 5,-0.0 -0.936 360.0-157.1-111.8 116.5 34.7 59.6 40.4 3 9 A L T 3 S+ 0 0 142 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.689 96.1 56.6 -64.5 -16.9 37.8 58.6 38.4 4 10 A N T 3 S+ 0 0 150 1,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.520 121.1 22.4 -89.1 -9.3 38.5 62.3 38.1 5 11 A A S < S+ 0 0 73 -3,-1.8 2,-0.4 2,-0.0 -3,-0.4 -0.554 86.0 170.3-158.6 77.1 38.5 63.1 41.8 6 12 A F + 0 0 83 -3,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.838 12.4 178.2-112.2 131.7 39.3 59.9 43.6 7 13 A T - 0 0 125 -2,-0.4 2,-0.2 -5,-0.0 -5,-0.1 -0.994 18.3-143.1-130.7 128.7 40.1 59.4 47.3 8 14 A F - 0 0 169 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.604 31.6-103.3 -80.2 148.3 40.8 56.1 49.0 9 15 A D - 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.379 54.5 -88.5 -63.4 152.7 39.6 55.5 52.6 10 16 A P - 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.158 48.2-176.4 -68.3 160.1 42.5 55.8 55.1 11 17 A I - 0 0 114 -3,-0.1 2,-0.4 4,-0.0 3,-0.1 -0.939 22.3-134.2-145.2 162.8 44.8 52.9 56.0 12 18 A K >> - 0 0 66 -2,-0.3 4,-1.2 1,-0.1 3,-0.9 -0.995 19.9-134.1-118.1 134.9 47.7 52.1 58.4 13 19 A E H 3> S+ 0 0 55 -2,-0.4 4,-1.8 1,-0.2 3,-0.4 0.892 104.3 58.0 -51.1 -45.7 50.6 50.1 57.0 14 20 A S H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.809 100.2 58.4 -59.6 -31.2 50.8 47.8 60.0 15 21 A I H <> S+ 0 0 77 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.916 104.2 51.0 -63.2 -41.8 47.1 46.8 59.4 16 22 A V H X S+ 0 0 63 -4,-1.2 4,-2.3 -3,-0.4 5,-0.2 0.950 112.2 46.6 -61.5 -48.7 48.0 45.5 55.9 17 23 A S H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.949 113.6 48.4 -55.9 -52.0 50.9 43.5 57.3 18 24 A R H X S+ 0 0 61 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.895 109.9 51.4 -62.4 -39.1 48.8 42.0 60.1 19 25 A E H X S+ 0 0 77 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.952 113.4 44.4 -61.3 -48.3 45.9 41.1 57.8 20 26 A M H X S+ 0 0 94 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.908 116.8 46.5 -62.2 -42.7 48.2 39.2 55.4 21 27 A T H X S+ 0 0 5 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.939 111.8 47.9 -66.5 -49.4 50.1 37.5 58.2 22 28 A R H X S+ 0 0 113 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.930 114.7 47.1 -60.8 -44.8 47.2 36.4 60.2 23 29 A R H X S+ 0 0 154 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.911 113.4 46.0 -66.1 -41.9 45.4 35.0 57.2 24 30 A Y H X S+ 0 0 53 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.926 112.0 54.3 -68.5 -38.8 48.5 33.2 55.8 25 31 A M H X S+ 0 0 19 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.928 108.3 47.0 -53.7 -54.0 49.2 31.8 59.3 26 32 A T H X S+ 0 0 66 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.898 112.1 51.1 -63.3 -35.8 45.7 30.4 59.7 27 33 A D H X S+ 0 0 45 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.932 110.9 48.0 -63.8 -47.5 45.9 28.8 56.3 28 34 A M H X S+ 0 0 36 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.886 111.5 50.3 -64.5 -34.7 49.3 27.2 57.1 29 35 A I H >< S+ 0 0 32 -4,-2.6 3,-0.6 -5,-0.2 4,-0.3 0.953 113.5 45.9 -63.6 -46.3 48.0 25.9 60.4 30 36 A T H >< S+ 0 0 63 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.936 116.6 43.4 -59.0 -48.2 44.9 24.4 58.7 31 37 A Y H 3< S+ 0 0 15 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.474 82.7 93.9 -88.1 2.8 46.8 22.8 55.8 32 38 A A T << S+ 0 0 3 -4,-0.9 141,-2.6 -3,-0.6 2,-0.4 0.724 103.1 30.0 -63.2 -22.9 49.7 21.4 57.8 33 39 A E E < S+a 173 0A 82 -3,-0.9 -1,-0.3 -4,-0.3 2,-0.3 -0.925 93.6 166.8-131.8 104.5 47.6 18.2 57.9 34 40 A T E -a 174 0A 0 139,-2.8 141,-1.5 -2,-0.4 142,-0.2 -0.762 44.4-129.5-121.6 161.1 45.5 18.2 54.7 35 41 A D E S+ 0 0 29 1,-0.3 141,-1.9 -2,-0.3 140,-0.5 0.967 93.7 10.7 -71.8 -55.7 43.4 15.7 52.8 36 42 A V E -ab 176 60A 0 23,-2.2 25,-2.8 139,-0.2 2,-0.5 -0.982 59.2-166.1-125.3 135.2 45.0 16.2 49.4 37 43 A V E -ab 177 61A 0 139,-2.1 141,-2.9 -2,-0.4 2,-0.6 -0.996 9.6-159.6-113.1 127.2 48.1 18.1 48.3 38 44 A V E -ab 178 62A 0 23,-3.1 25,-3.1 -2,-0.5 2,-0.7 -0.928 6.8-154.2-101.2 120.8 48.4 18.8 44.6 39 45 A V E +ab 179 63A 14 139,-2.8 141,-2.7 -2,-0.6 25,-0.2 -0.866 66.4 26.0 -98.1 112.3 52.0 19.5 43.7 40 46 A G - 0 0 10 23,-3.2 24,-0.2 -2,-0.7 23,-0.1 0.341 61.2-142.6 104.3 121.1 52.1 21.6 40.5 41 47 A A + 0 0 0 4,-0.1 29,-2.7 27,-0.1 -1,-0.1 -0.279 58.5 121.2-110.0 43.5 49.5 24.0 39.2 42 48 A G S > S- 0 0 14 138,-0.5 4,-2.7 28,-0.2 5,-0.3 -0.085 87.9 -71.8 -81.9-169.3 49.9 23.3 35.4 43 49 A S H > S+ 0 0 10 27,-0.3 4,-1.8 1,-0.2 5,-0.1 0.884 135.1 46.3 -59.4 -38.5 47.0 22.1 33.3 44 50 A A H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 115.0 44.5 -70.0 -48.1 47.0 18.6 34.9 45 51 A G H > S+ 0 0 2 135,-0.3 4,-2.6 2,-0.2 5,-0.2 0.885 114.0 49.5 -63.3 -40.8 47.3 19.8 38.5 46 52 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.910 111.5 49.8 -61.7 -43.4 44.6 22.5 38.1 47 53 A S H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.880 112.1 48.0 -62.7 -40.4 42.3 19.9 36.5 48 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.947 113.4 46.5 -66.3 -47.3 42.9 17.5 39.3 49 55 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.895 112.1 51.6 -61.2 -40.7 42.3 20.1 42.0 50 56 A Y H X S+ 0 0 4 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.909 112.5 46.2 -59.9 -45.8 39.2 21.3 40.2 51 57 A E H >< S+ 0 0 11 -4,-2.1 3,-0.8 1,-0.2 4,-0.2 0.936 115.1 45.0 -65.9 -46.0 37.8 17.8 40.0 52 58 A I H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 6,-0.2 0.900 107.8 57.1 -63.9 -43.2 38.6 16.9 43.7 53 59 A S H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.518 79.9 85.7 -80.4 -3.0 37.2 20.2 45.1 54 60 A K T << S+ 0 0 77 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.741 80.9 73.6 -59.6 -24.1 33.8 19.6 43.5 55 61 A N S X S- 0 0 32 -3,-2.0 3,-1.5 -4,-0.2 -1,-0.1 -0.867 79.5-159.0 -85.9 110.1 33.4 17.7 46.8 56 62 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.647 85.0 63.5 -69.7 -12.2 33.1 20.5 49.3 57 63 A N T 3 S+ 0 0 135 2,-0.1 2,-0.5 -3,-0.0 -4,-0.1 0.414 85.8 89.6 -90.0 -6.4 34.1 18.3 52.2 58 64 A V S < S- 0 0 3 -3,-1.5 2,-0.4 -6,-0.2 -3,-0.0 -0.839 70.6-139.8-103.1 124.0 37.6 17.7 50.8 59 65 A Q - 0 0 54 -2,-0.5 -23,-2.2 70,-0.1 2,-0.5 -0.714 20.0-168.2 -83.2 127.0 40.5 19.9 51.7 60 66 A V E -bc 36 129A 0 68,-2.8 70,-2.6 -2,-0.4 2,-0.4 -0.948 9.5-172.7-123.0 113.7 42.8 20.7 48.8 61 67 A A E -bc 37 130A 0 -25,-2.8 -23,-3.1 -2,-0.5 2,-0.5 -0.859 9.8-158.0 -98.0 135.7 46.2 22.4 49.1 62 68 A I E -bc 38 131A 1 68,-2.7 70,-3.3 -2,-0.4 2,-0.6 -0.973 3.4-162.4-113.6 123.8 48.0 23.3 45.8 63 69 A I E +bc 39 132A 3 -25,-3.1 -23,-3.2 -2,-0.5 2,-0.4 -0.907 14.8 172.8-106.4 120.0 51.8 23.7 46.1 64 70 A E E - c 0 133A 16 68,-2.3 71,-1.9 -2,-0.6 70,-1.0 -0.969 24.2-157.8-134.9 123.7 53.3 25.6 43.1 65 71 A Q S S+ 0 0 54 -2,-0.4 90,-0.2 69,-0.2 71,-0.2 0.847 73.5 76.8 -72.5 -35.5 56.9 26.7 43.1 66 72 A S S S- 0 0 25 2,-0.2 68,-1.8 1,-0.1 69,-0.3 -0.416 82.8-128.8 -70.7 153.1 56.4 29.5 40.6 67 73 A V S S+ 0 0 24 66,-0.2 -1,-0.1 67,-0.2 66,-0.1 0.926 100.9 57.4 -62.5 -43.2 54.9 32.8 41.6 68 74 A S S S- 0 0 45 65,-0.1 3,-0.4 66,-0.0 -2,-0.2 -0.801 81.0-147.4 -87.3 130.4 52.5 32.4 38.7 69 75 A P + 0 0 18 0, 0.0 -27,-0.2 0, 0.0 -2,-0.0 -0.265 67.2 79.8 -75.0 174.5 50.3 29.2 38.6 70 76 A G > - 0 0 0 -29,-2.7 3,-2.4 -28,-0.1 -27,-0.3 0.107 65.8-157.0 115.1 -21.8 49.4 27.8 35.2 71 77 A G T 3 S- 0 0 44 -3,-0.4 3,-0.4 1,-0.3 -29,-0.1 -0.198 71.0 -14.3 51.9-132.7 52.5 25.9 34.2 72 78 A G T > S+ 0 0 67 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.255 115.6 92.2 -85.0 9.8 52.9 25.3 30.5 73 79 A A T < + 0 0 0 -3,-2.4 43,-0.5 1,-0.2 -1,-0.2 0.053 58.5 83.7 -99.7 27.3 49.2 26.3 29.8 74 80 A W T 3 S+ 0 0 90 -3,-0.4 39,-0.5 2,-0.1 2,-0.3 0.473 100.5 24.6 -93.5 -9.2 49.7 30.0 29.1 75 81 A L < - 0 0 67 -3,-0.7 6,-0.2 37,-0.2 3,-0.1 -0.956 67.4-131.8-144.5 159.4 50.7 29.3 25.5 76 82 A G - 0 0 15 4,-2.5 3,-0.4 -2,-0.3 2,-0.2 0.287 66.7 -41.2 -78.4-139.6 50.3 26.8 22.6 77 83 A G S > S+ 0 0 28 5,-0.3 3,-2.1 171,-0.2 -1,-0.2 -0.637 121.1 10.3 -96.6 148.5 53.4 25.8 20.7 78 84 A Q T 3 S- 0 0 167 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.797 130.9 -60.7 55.3 34.7 56.3 28.0 19.6 79 85 A L T 3 S+ 0 0 138 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.526 104.9 134.5 69.3 10.7 55.0 30.9 21.7 80 86 A F < - 0 0 140 -3,-2.1 -4,-2.5 2,-0.1 -1,-0.2 -0.284 54.8-130.9 -81.0 174.0 51.7 30.9 19.7 81 87 A S + 0 0 50 -6,-0.2 31,-2.4 -3,-0.1 32,-0.2 0.798 62.7 104.3-103.5 -33.2 48.4 31.1 21.5 82 88 A A - 0 0 43 29,-0.2 2,-0.6 -5,-0.1 -5,-0.3 -0.277 52.0-150.0 -75.5 141.0 45.9 28.5 20.3 83 89 A M E -H 109 0B 0 26,-2.4 26,-3.0 -7,-0.1 2,-0.5 -0.921 7.3-154.9-111.6 111.7 45.1 25.5 22.5 84 90 A I E -H 108 0B 52 -2,-0.6 166,-2.5 164,-0.5 167,-0.5 -0.773 12.4-177.2 -91.5 127.0 44.1 22.4 20.7 85 91 A V E -H 107 0B 0 22,-2.6 22,-2.4 -2,-0.5 2,-0.2 -0.985 19.4-136.8-125.1 117.3 42.0 19.9 22.8 86 92 A R E > -H 106 0B 60 -2,-0.4 3,-2.0 20,-0.2 20,-0.3 -0.481 40.6 -69.5 -73.7 142.9 41.0 16.6 21.2 87 93 A K T 3 S+ 0 0 65 18,-2.0 -1,-0.1 1,-0.3 164,-0.0 -0.421 112.7 31.0 -63.3 148.3 37.5 15.3 21.5 88 94 A P T > S+ 0 0 96 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.909 106.1 73.5 -92.7 25.6 36.0 14.2 23.7 89 95 A A T X> S+ 0 0 4 -3,-2.0 4,-1.3 1,-0.3 3,-1.2 0.608 77.1 82.5 -72.2 -7.8 37.8 16.4 26.2 90 96 A H H 3> S+ 0 0 25 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.791 80.1 67.1 -66.2 -21.8 35.9 19.4 24.9 91 97 A L H <> S+ 0 0 102 -3,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.819 97.1 53.4 -63.2 -30.3 33.1 18.2 27.2 92 98 A F H <> S+ 0 0 6 -3,-1.2 4,-1.8 -4,-0.3 -1,-0.2 0.916 106.8 50.8 -70.9 -43.0 35.4 19.2 30.1 93 99 A L H X>S+ 0 0 0 -4,-1.3 5,-2.6 1,-0.2 4,-1.6 0.878 106.8 55.6 -57.4 -40.5 35.8 22.6 28.6 94 100 A D H <5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 107.1 49.8 -56.5 -48.1 32.0 22.8 28.4 95 101 A E H <5S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.7 43.6 -61.6 -40.9 31.7 22.1 32.1 96 102 A I H <5S- 0 0 5 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.662 116.2-114.0 -78.7 -18.9 34.2 24.8 33.1 97 103 A G T <5 + 0 0 57 -4,-1.6 2,-0.6 1,-0.3 -3,-0.2 0.865 61.3 149.0 87.1 43.6 32.7 27.3 30.7 98 104 A V < - 0 0 4 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.947 38.1-138.5-111.3 121.3 35.5 27.8 28.2 99 105 A A + 0 0 74 -2,-0.6 11,-0.3 -5,-0.0 2,-0.3 -0.331 26.3 175.8 -73.7 157.3 34.4 28.6 24.6 100 106 A Y - 0 0 57 9,-0.2 2,-0.7 10,-0.1 9,-0.2 -0.981 38.0-107.1-154.4 161.9 36.1 27.0 21.6 101 107 A D E -I 108 0B 99 7,-2.9 7,-2.2 -2,-0.3 2,-0.5 -0.859 44.3-134.9 -89.9 115.8 36.0 26.7 17.8 102 108 A E E +I 107 0B 108 -2,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.619 29.0 173.9 -82.8 123.4 34.8 23.2 17.1 103 109 A Q - 0 0 85 3,-2.2 -1,-0.0 -2,-0.5 5,-0.0 -0.302 46.2 -86.5-109.0-163.7 36.5 21.1 14.5 104 110 A D S S+ 0 0 123 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.969 116.6 5.6 -79.1 -49.5 35.9 17.5 13.5 105 111 A T S S+ 0 0 87 -19,-0.0 -18,-2.0 1,-0.0 2,-0.3 0.343 134.8 23.6-111.6 3.2 38.1 15.5 16.0 106 112 A Y E -H 86 0B 74 -20,-0.3 -3,-2.2 -18,-0.1 2,-0.3 -0.926 65.8-133.0-157.2 168.9 39.3 18.4 18.1 107 113 A V E -HI 85 102B 0 -22,-2.4 -22,-2.6 -2,-0.3 2,-0.5 -0.898 15.0-135.7-129.4 161.5 38.5 21.9 19.2 108 114 A V E -HI 84 101B 29 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.5 -0.967 5.2-155.8-125.1 114.0 40.5 25.1 19.4 109 115 A V E -H 83 0B 0 -26,-3.0 -26,-2.4 -2,-0.5 -9,-0.2 -0.775 26.3-128.8 -83.5 132.8 40.4 27.4 22.4 110 116 A K S S+ 0 0 170 -2,-0.5 2,-0.3 -11,-0.3 -1,-0.1 0.742 88.5 12.0 -63.5 -26.1 41.5 30.8 21.1 111 117 A H >> - 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0 0 67 34,-2.3 4,-2.8 -2,-0.2 5,-0.2 -0.666 24.0-167.3-162.8 96.1 53.5 10.7 18.9 212 218 A M H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.878 84.5 53.0 -61.7 -40.7 50.2 12.4 19.8 213 219 A N H > S+ 0 0 117 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.887 118.5 35.1 -66.8 -39.1 48.0 9.5 19.0 214 220 A T H > S+ 0 0 74 1,-0.1 4,-1.9 2,-0.1 -1,-0.2 0.904 117.2 54.5 -74.4 -43.9 49.8 7.1 21.2 215 221 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 30,-0.3 5,-0.2 0.873 102.9 49.4 -66.2 -45.9 50.8 9.6 23.9 216 222 A E H X S+ 0 0 9 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.954 114.7 43.7 -70.4 -41.2 47.5 11.1 24.9 217 223 A D H X S+ 0 0 116 -4,-0.6 4,-2.4 -5,-0.3 -1,-0.2 0.914 115.4 50.8 -62.4 -41.7 45.6 7.8 25.4 218 224 A A H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.909 106.2 53.3 -64.5 -43.0 48.7 6.3 27.2 219 225 A I H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.921 112.2 45.2 -62.5 -42.9 49.0 9.2 29.6 220 226 A V H >< S+ 0 0 36 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.956 114.2 48.9 -64.0 -47.0 45.4 8.9 30.7 221 227 A R H 3< S+ 0 0 173 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.867 112.8 47.4 -58.5 -40.1 45.6 5.1 31.0 222 228 A L H 3< S+ 0 0 34 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.2 0.573 80.0 112.9 -84.2 -13.3 48.8 5.2 33.1 223 229 A T << + 0 0 2 -4,-1.0 2,-0.3 -3,-0.7 10,-0.1 -0.500 49.5 124.7 -61.6 128.8 47.6 7.9 35.5 224 230 A R E S-G 232 0A 80 8,-0.9 8,-2.3 -2,-0.3 2,-1.0 -0.970 73.7 -70.6-169.7 168.3 47.4 6.0 38.8 225 231 A E E -G 231 0A 71 -2,-0.3 6,-0.3 6,-0.3 -47,-0.1 -0.771 48.8-171.2 -75.9 101.9 48.4 5.8 42.4 226 232 A V E + 0 0 27 4,-1.6 -1,-0.2 -2,-1.0 5,-0.2 0.855 67.5 1.0 -75.3 -39.7 51.9 4.8 41.7 227 233 A V E > S-G 230 0A 13 3,-1.2 3,-2.5 -3,-0.1 -1,-0.2 -0.930 107.2 -66.0-136.7 164.5 52.9 4.0 45.3 228 234 A P T 3 S+ 0 0 63 0, 0.0 -81,-2.9 0, 0.0 3,-0.1 -0.306 123.4 11.3 -57.8 126.3 50.7 4.1 48.4 229 235 A G T 3 S+ 0 0 0 -83,-0.2 -52,-2.4 -81,-0.1 2,-0.4 0.373 111.3 89.8 90.4 -0.7 49.7 7.7 49.0 230 236 A M E < -fG 177 227A 0 -3,-2.5 -4,-1.6 -54,-0.2 -3,-1.2 -0.952 48.1-172.8-138.9 117.0 50.9 9.2 45.8 231 237 A I E -fG 178 225A 0 -54,-2.9 -52,-3.6 -2,-0.4 2,-0.4 -0.804 13.8-151.9 -92.6 138.6 49.1 9.7 42.4 232 238 A V E +fG 179 224A 0 -8,-2.3 -8,-0.9 -2,-0.4 2,-0.3 -0.955 21.2 169.7-113.8 138.4 51.0 10.9 39.4 233 239 A T > + 0 0 0 -54,-2.4 3,-0.8 -2,-0.4 -51,-0.4 -0.923 37.5 14.9-142.6 161.9 49.3 12.8 36.7 234 240 A G T >> S- 0 0 2 -2,-0.3 3,-1.5 18,-0.3 4,-0.6 -0.285 117.8 -19.5 72.9-156.0 50.1 14.8 33.6 235 241 A M H >> S+ 0 0 19 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.744 126.1 72.9 -64.3 -19.7 53.5 14.9 31.8 236 242 A E H <> S+ 0 0 0 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.845 89.7 62.0 -62.2 -31.1 55.1 13.5 34.9 237 243 A V H <> S+ 0 0 2 -3,-1.5 4,-2.2 1,-0.2 6,-0.3 0.877 100.0 52.9 -54.1 -42.9 53.4 10.2 34.0 238 244 A A H S+ 0 0 0 -4,-0.6 4,-1.5 -3,-0.5 5,-1.1 0.854 107.0 53.2 -68.5 -31.0 55.4 10.1 30.8 239 245 A E H <5S+ 0 0 21 -4,-1.3 -33,-2.5 2,-0.2 -1,-0.2 0.929 112.8 41.4 -66.0 -47.8 58.6 10.5 32.7 240 246 A I H <5S+ 0 0 13 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.898 125.9 34.0 -68.6 -37.1 58.0 7.6 35.1 241 247 A D H <5S- 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.549 102.5-119.9 -98.8 -10.0 56.6 5.3 32.4 242 248 A G T <5 + 0 0 5 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.909 53.9 162.8 70.7 38.1 58.6 6.2 29.4 243 249 A A < - 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0 0 67 34,-2.4 4,-2.9 -2,-0.2 5,-0.2 -0.654 23.0-169.5-164.2 89.5 93.2 56.0 58.5 491 218 B M H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.888 83.8 54.3 -58.3 -43.7 92.3 54.2 61.8 492 219 B N H > S+ 0 0 117 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.894 118.5 34.0 -63.2 -39.3 93.2 57.2 64.1 493 220 B T H > S+ 0 0 72 -3,-0.1 4,-1.9 31,-0.1 -2,-0.2 0.913 116.7 55.6 -74.7 -41.3 90.9 59.5 62.3 494 221 B A H X S+ 0 0 0 -4,-2.9 4,-2.6 30,-0.3 5,-0.2 0.890 102.5 48.7 -66.3 -49.3 88.2 57.1 61.3 495 222 B E H X S+ 0 0 9 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.947 114.5 44.4 -66.6 -41.9 87.1 55.5 64.6 496 223 B D H X S+ 0 0 118 -4,-0.6 4,-2.4 -5,-0.3 -1,-0.2 0.910 114.9 52.1 -62.5 -43.0 86.7 58.8 66.5 497 224 B A H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.923 106.2 51.7 -60.6 -45.3 84.9 60.2 63.4 498 225 B I H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.923 112.5 45.8 -61.4 -45.3 82.4 57.4 63.1 499 226 B V H >< S+ 0 0 35 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.955 114.4 48.8 -59.2 -49.5 81.4 57.7 66.8 500 227 B R H 3< S+ 0 0 167 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.0 46.2 -55.3 -42.8 81.1 61.5 66.5 501 228 B L H 3< S+ 0 0 33 -4,-2.6 -1,-0.2 -5,-0.2 2,-0.2 0.572 80.2 114.4 -86.4 -11.5 79.0 61.4 63.3 502 229 B T << + 0 0 1 -4,-1.0 2,-0.3 -3,-0.7 10,-0.2 -0.480 49.7 127.7 -62.8 126.2 76.6 58.7 64.6 503 230 B R E S-Q 511 0D 80 8,-0.9 8,-2.2 -2,-0.2 2,-1.0 -0.974 73.0 -75.0-168.7 159.8 73.3 60.6 64.8 504 231 B E E -Q 510 0D 77 -2,-0.3 6,-0.3 6,-0.3 -47,-0.1 -0.775 48.7-172.4 -69.7 101.6 69.6 60.8 63.9 505 232 B V E + 0 0 27 4,-1.7 -1,-0.2 -2,-1.0 5,-0.2 0.869 67.0 2.5 -75.7 -39.6 70.3 61.8 60.3 506 233 B V E > S-Q 509 0D 14 3,-1.2 3,-2.4 -3,-0.1 -1,-0.2 -0.917 107.4 -66.4-137.2 161.1 66.7 62.6 59.4 507 234 B P T 3 S+ 0 0 40 0, 0.0 -81,-2.8 0, 0.0 3,-0.0 -0.308 123.2 11.3 -53.7 124.1 63.6 62.5 61.7 508 235 B G T 3 S+ 0 0 0 -83,-0.2 -52,-2.6 -81,-0.1 2,-0.4 0.344 111.0 90.3 91.9 -1.7 63.0 58.9 62.7 509 236 B M E < -pQ 456 506D 0 -3,-2.4 -4,-1.7 -54,-0.2 -3,-1.2 -0.949 47.6-172.2-142.2 117.7 66.3 57.4 61.5 510 237 B I E -pQ 457 504D 0 -54,-2.7 -52,-3.3 -2,-0.4 2,-0.4 -0.847 14.1-151.2 -97.8 138.2 69.7 56.9 63.2 511 238 B V E +pQ 458 503D 1 -8,-2.2 -8,-0.9 -2,-0.4 2,-0.3 -0.939 21.4 172.4-115.1 137.4 72.7 55.7 61.2 512 239 B T > + 0 0 0 -54,-2.4 3,-0.8 -2,-0.4 -51,-0.4 -0.918 36.9 11.6-141.0 159.6 75.4 53.7 62.9 513 240 B G T >> S- 0 0 1 -2,-0.3 3,-1.6 18,-0.3 4,-0.6 -0.275 118.4 -19.6 70.7-153.5 78.5 51.8 62.1 514 241 B M H 3> S+ 0 0 21 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.754 125.4 74.5 -68.1 -17.5 80.3 51.8 58.7 515 242 B E H <> S+ 0 0 0 -3,-0.8 4,-2.0 1,-0.2 -1,-0.3 0.857 90.0 61.3 -59.2 -31.2 77.1 53.1 57.1 516 243 B V H <> S+ 0 0 2 -3,-1.6 4,-2.4 1,-0.2 6,-0.3 0.896 100.4 52.6 -56.9 -44.3 78.0 56.4 58.8 517 244 B A H X>S+ 0 0 0 -4,-0.6 4,-1.4 -3,-0.4 5,-1.1 0.848 106.5 53.9 -63.1 -32.7 81.3 56.5 56.8 518 245 B E H <5S+ 0 0 31 -4,-1.3 -33,-2.1 2,-0.2 -2,-0.2 0.947 113.3 40.4 -68.8 -46.9 79.4 56.0 53.6 519 246 B I H <5S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 125.0 35.8 -69.0 -34.4 77.1 59.0 54.2 520 247 B D H <5S- 0 0 50 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.532 102.6-119.7 -99.4 -3.1 79.7 61.3 55.6 521 248 B G T <5 + 0 0 6 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.884 54.4 163.7 62.8 39.5 82.7 60.4 53.5 522 249 B A < - 0 0 6 -5,-1.1 -35,-2.4 -6,-0.3 -1,-0.2 -0.537 42.5 -99.1 -82.0 156.1 84.7 59.4 56.6 523 250 B P E -t 487 0F 21 0, 0.0 2,-0.2 0, 0.0 -34,-0.2 -0.234 39.1-116.4 -64.5 158.6 87.8 57.3 56.3 524 251 B R E -t 489 0F 95 -36,-1.1 -34,-2.4 -37,-0.7 -30,-0.3 -0.606 13.1-155.2 -96.0 166.5 87.6 53.6 56.9 525 252 B M - 0 0 7 1,-0.2 -34,-0.1 -2,-0.2 -1,-0.1 0.541 20.5-162.0-116.2 -14.8 89.3 51.7 59.7 526 253 B G + 0 0 31 1,-0.2 2,-2.4 -36,-0.1 -1,-0.2 -0.388 66.4 14.0 63.1-142.0 89.6 48.2 58.4 527 254 B P S S+ 0 0 62 0, 0.0 -164,-0.4 0, 0.0 2,-0.3 -0.299 100.7 92.9 -78.6 57.8 90.2 45.4 60.9 528 255 B T - 0 0 6 -2,-2.4 -164,-0.2 -166,-0.1 -3,-0.1 -0.975 49.3-167.4-145.2 148.5 89.5 47.1 64.2 529 256 B F > + 0 0 19 -166,-2.5 4,-1.8 -2,-0.3 3,-0.5 0.467 56.8 97.8-125.2 -6.6 86.1 47.0 65.9 530 257 B G H > S+ 0 0 5 -167,-0.5 4,-2.7 1,-0.2 5,-0.3 0.900 86.3 53.0 -55.9 -44.3 85.9 49.5 68.8 531 258 B A H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.847 106.2 54.5 -63.5 -33.8 84.1 52.2 66.7 532 259 B M H > S+ 0 0 16 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.929 112.0 43.4 -63.4 -44.3 81.5 49.7 65.7 533 260 B M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.934 119.6 41.6 -65.4 -45.3 80.7 48.8 69.3 534 261 B I H X S+ 0 0 47 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.906 113.2 51.9 -73.6 -40.9 80.7 52.4 70.5 535 262 B S H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 -1,-0.2 0.928 112.6 48.3 -57.1 -45.9 78.9 53.8 67.5 536 263 B G H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.925 110.7 49.3 -62.3 -43.1 76.2 51.2 68.1 537 264 B Q H X S+ 0 0 45 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.934 112.5 47.9 -60.8 -45.8 76.0 52.0 71.8 538 265 B K H X S+ 0 0 58 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.926 109.8 53.2 -60.8 -45.2 75.7 55.7 71.1 539 266 B A H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.901 108.4 50.8 -56.1 -42.9 73.0 54.9 68.4 540 267 B G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.914 110.6 47.7 -60.2 -44.1 71.1 52.9 71.1 541 268 B Q H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 12,-0.2 0.879 110.3 52.4 -63.3 -38.4 71.3 55.8 73.5 542 269 B L H X S+ 0 0 29 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.884 108.6 51.4 -64.9 -36.2 70.1 58.2 70.8 543 270 B A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.935 109.3 49.3 -67.1 -44.6 67.2 55.8 70.1 544 271 B L H <>S+ 0 0 4 -4,-2.3 5,-2.7 1,-0.2 4,-0.4 0.933 112.2 49.5 -58.3 -44.0 66.2 55.8 73.9 545 272 B K H ><5S+ 0 0 87 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.936 108.9 51.4 -59.9 -45.8 66.4 59.6 73.9 546 273 B A H 3<5S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.796 107.7 53.6 -62.1 -28.4 64.3 59.8 70.7 547 274 B L T 3<5S- 0 0 41 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.457 120.3-110.1 -83.6 -3.3 61.7 57.6 72.5 548 275 B G T < 5S+ 0 0 68 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.741 75.0 131.7 82.7 26.5 61.6 59.9 75.4 549 276 B L < - 0 0 42 -5,-2.7 -1,-0.3 -6,-0.2 7,-0.1 -0.670 68.7 -75.4-111.8 159.4 63.3 57.5 77.8 550 277 B P + 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.261 64.3 167.6 -51.4 136.0 66.2 57.8 80.2 551 278 B N >> - 0 0 1 -7,-0.1 5,-1.9 -6,-0.1 6,-1.2 -0.983 49.5-120.6-156.8 159.0 69.5 57.9 78.3 552 279 B A T 45S+ 0 0 63 -2,-0.3 -10,-0.1 3,-0.2 -11,-0.0 0.547 105.0 68.6 -83.2 -9.7 73.2 58.6 78.4 553 280 B I T 45S+ 0 0 72 -12,-0.2 -1,-0.2 1,-0.2 -11,-0.1 0.937 113.8 29.5 -70.5 -44.5 73.1 61.3 75.7 554 281 B D T 45S- 0 0 83 -3,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.568 111.2-117.3 -84.1 -19.9 71.1 63.6 78.2 555 282 B G T <5S+ 0 0 59 -4,-0.7 -3,-0.2 0, 0.0 -2,-0.0 0.642 81.4 120.0 80.6 17.6 72.7 62.1 81.3 556 283 B T < 0 0 85 -5,-1.9 -4,-0.2 -7,-0.1 0, 0.0 0.501 360.0 360.0 -94.1 -5.5 69.3 60.8 82.6 557 284 B L 0 0 152 -6,-1.2 -5,-0.1 -7,-0.1 -1,-0.1 0.891 360.0 360.0 -82.8 360.0 70.3 57.2 82.7