==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-MAY-04 1WD7 . COMPND 2 MOLECULE: UROPORPHYRINOGEN III SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.MIZOHATA,T.MATSUURA,H.SAKAI,K.MURAYAMA,T.TERADA, . 509 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.0 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 . 0 0.0 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 . 27 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 0 2 0 1 0 9 4 0 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 8 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A A 0 0 100 0, 0.0 2,-0.4 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 147.2 39.6 -13.3 13.9 2 9 A V - 0 0 45 21,-0.3 23,-2.6 1,-0.1 2,-0.7 -0.535 360.0-140.6 -69.9 121.3 37.1 -10.6 15.0 3 10 A R E -a 25 0A 83 -2,-0.4 175,-2.5 21,-0.2 176,-1.8 -0.745 20.6-171.3 -87.2 110.7 33.9 -11.0 13.0 4 11 A V E -ab 26 179A 0 21,-1.3 23,-2.3 -2,-0.7 2,-0.2 -0.909 5.8-156.4-111.6 116.0 32.6 -7.5 12.1 5 12 A A E -ab 27 180A 0 174,-3.0 176,-3.2 -2,-0.6 2,-0.4 -0.612 3.2-149.9 -89.6 149.3 29.1 -7.2 10.6 6 13 A Y E -ab 28 181A 0 21,-2.0 23,-2.7 -2,-0.2 176,-0.2 -0.982 9.5-168.9-121.1 126.8 28.0 -4.2 8.5 7 14 A A + 0 0 0 174,-2.3 24,-1.2 -2,-0.4 25,-0.3 0.317 57.2 99.7 -96.6 6.1 24.4 -3.1 8.4 8 15 A G - 0 0 0 173,-0.3 -2,-0.1 22,-0.2 21,-0.1 -0.264 53.1-161.7 -86.1 176.6 24.7 -0.8 5.5 9 16 A L S > S+ 0 0 48 21,-0.1 3,-0.5 20,-0.1 -1,-0.1 0.523 79.6 72.8-121.8 -32.1 23.9 -1.3 1.8 10 17 A R T 3 S+ 0 0 80 1,-0.2 2,-0.7 2,-0.1 3,-0.3 0.952 104.3 17.9 -41.8 -83.2 25.9 1.5 0.5 11 18 A R T 3> + 0 0 124 1,-0.2 4,-1.6 2,-0.1 -1,-0.2 -0.632 68.5 144.3-108.0 64.8 29.6 0.8 0.7 12 19 A K H <> S+ 0 0 60 -2,-0.7 4,-2.5 -3,-0.5 -1,-0.2 0.861 75.7 50.3 -73.3 -35.5 29.7 -3.1 1.0 13 20 A E H > S+ 0 0 128 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.930 111.2 46.5 -67.6 -48.5 32.9 -3.3 -1.1 14 21 A A H > S+ 0 0 43 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.916 113.1 51.4 -60.7 -43.1 34.8 -0.7 0.8 15 22 A F H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.946 111.0 46.8 -59.8 -50.4 33.7 -2.4 4.1 16 23 A K H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.937 115.8 44.5 -57.4 -50.1 34.9 -5.8 2.9 17 24 A A H X S+ 0 0 54 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.919 115.8 48.3 -62.0 -43.4 38.3 -4.5 1.7 18 25 A L H X S+ 0 0 54 -4,-3.0 4,-1.3 -5,-0.2 6,-0.2 0.936 110.8 49.6 -62.2 -50.7 38.7 -2.3 4.8 19 26 A A H <>S+ 0 0 0 -4,-3.1 5,-3.3 -5,-0.2 3,-0.3 0.904 112.4 47.5 -58.0 -42.8 37.9 -5.1 7.3 20 27 A E H ><5S+ 0 0 123 -4,-2.1 3,-2.5 -5,-0.3 -1,-0.2 0.937 105.2 57.3 -65.2 -47.0 40.2 -7.6 5.6 21 28 A K H 3<5S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.805 110.1 48.1 -53.0 -29.9 43.2 -5.2 5.5 22 29 A L T 3<5S- 0 0 8 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.427 122.4-107.3 -92.0 -1.4 42.7 -4.9 9.3 23 30 A G T < 5S+ 0 0 49 -3,-2.5 -21,-0.3 1,-0.3 -3,-0.2 0.642 74.1 139.6 85.0 13.3 42.6 -8.6 9.8 24 31 A F < - 0 0 13 -5,-3.3 -1,-0.3 -6,-0.2 -21,-0.2 -0.560 57.2-125.6 -89.0 158.4 38.8 -8.6 10.5 25 32 A T E -a 3 0A 67 -23,-2.6 -21,-1.3 -2,-0.2 2,-0.1 -0.872 35.2-139.7-106.4 96.8 36.4 -11.2 9.2 26 33 A P E -a 4 0A 33 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.363 21.2-175.1 -64.8 136.1 33.7 -9.2 7.3 27 34 A L E -a 5 0A 47 -23,-2.3 -21,-2.0 -2,-0.1 2,-0.6 -0.977 12.6-149.0-130.7 141.0 30.0 -10.0 7.5 28 35 A L E +a 6 0A 53 -2,-0.4 -21,-0.2 -23,-0.2 -23,-0.1 -0.948 25.9 158.1-119.3 116.7 27.2 -8.2 5.6 29 36 A F - 0 0 40 -23,-2.7 -20,-0.1 -2,-0.6 -24,-0.0 -0.664 21.0-166.9-133.6 77.4 23.8 -8.0 7.1 30 37 A P - 0 0 16 0, 0.0 138,-0.2 0, 0.0 -22,-0.2 -0.285 14.2-168.8 -66.0 149.4 21.8 -5.1 5.5 31 38 A V + 0 0 0 -24,-1.2 130,-2.3 133,-0.1 2,-0.4 0.356 65.8 81.0-117.9 -0.5 18.6 -3.9 7.1 32 39 A Q B -E 160 0B 6 128,-0.3 3,-0.1 -25,-0.3 155,-0.0 -0.894 68.7-146.0-109.4 138.5 17.5 -1.7 4.3 33 40 A A - 0 0 38 126,-3.9 2,-0.3 -2,-0.4 -1,-0.1 0.929 68.6 -25.8 -69.0 -46.4 15.7 -3.2 1.3 34 41 A T S S- 0 0 82 125,-0.4 125,-0.4 1,-0.1 -1,-0.1 -0.872 81.7 -47.2-159.4-178.3 17.1 -0.9 -1.3 35 42 A E S S- 0 0 119 -2,-0.3 2,-0.2 1,-0.2 124,-0.1 -0.104 77.0 -74.1 -55.1 161.5 18.5 2.5 -2.4 36 43 A K - 0 0 78 122,-0.1 122,-0.2 120,-0.1 -1,-0.2 -0.419 54.8-148.1 -61.1 127.6 16.9 5.7 -1.2 37 44 A V E -F 157 0C 62 120,-1.7 120,-3.4 -2,-0.2 -1,-0.1 -0.864 15.3-109.8-106.4 135.1 13.7 6.1 -3.2 38 45 A P E -F 156 0C 88 0, 0.0 118,-0.2 0, 0.0 3,-0.1 -0.153 22.6-129.4 -58.4 142.8 12.2 9.6 -4.2 39 46 A V > - 0 0 20 116,-2.0 3,-2.3 1,-0.2 4,-0.3 -0.890 13.4-153.0-102.1 110.8 9.0 10.8 -2.6 40 47 A P T > S+ 0 0 102 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.817 92.5 48.0 -34.4 -64.8 6.4 11.9 -5.3 41 48 A E T 3> S+ 0 0 110 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.377 82.9 100.7 -67.2 -2.6 4.6 14.4 -3.3 42 49 A Y H <> S+ 0 0 34 -3,-2.3 4,-2.5 1,-0.2 3,-0.3 0.929 79.8 49.3 -54.9 -54.3 7.8 16.1 -2.0 43 50 A R H <> S+ 0 0 141 -3,-0.6 4,-1.9 -4,-0.3 -1,-0.2 0.897 115.5 44.1 -53.2 -44.3 7.7 19.1 -4.3 44 51 A D H > S+ 0 0 102 -4,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.800 109.2 58.9 -70.1 -27.7 4.1 19.7 -3.5 45 52 A Q H X S+ 0 0 30 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.921 107.9 45.3 -66.0 -45.3 4.9 19.1 0.2 46 53 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.885 110.8 53.3 -69.1 -36.0 7.5 22.0 0.0 47 54 A R H X S+ 0 0 90 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.908 107.4 52.8 -64.5 -38.9 5.0 24.2 -1.8 48 55 A A H >< S+ 0 0 37 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.920 106.4 51.7 -61.3 -43.6 2.5 23.5 1.0 49 56 A L H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.909 102.7 60.3 -58.9 -41.0 5.1 24.6 3.5 50 57 A A H 3< S+ 0 0 24 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.700 92.7 67.9 -61.0 -17.3 5.5 27.8 1.5 51 58 A Q T << S- 0 0 170 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.668 120.8 -86.4 -76.8 -15.3 1.8 28.5 2.2 52 59 A G < - 0 0 23 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.2 0.117 41.8-153.6 116.3 129.8 2.6 29.1 5.8 53 60 A V - 0 0 4 28,-0.3 74,-0.2 1,-0.1 3,-0.1 -0.930 16.0-148.3-132.6 154.7 2.9 26.9 8.9 54 61 A D S S+ 0 0 38 72,-2.0 32,-2.9 -2,-0.3 2,-0.4 0.766 88.5 27.3 -90.4 -27.5 2.4 27.5 12.7 55 62 A L E -gh 86 127D 0 71,-2.0 73,-3.0 30,-0.3 2,-0.4 -0.999 61.5-167.9-139.6 136.6 5.0 25.0 13.8 56 63 A F E -gh 87 128D 0 30,-2.8 32,-3.0 -2,-0.4 2,-0.5 -0.989 6.3-168.3-126.2 123.9 8.1 23.6 12.1 57 64 A L E -gh 88 129D 0 71,-3.0 73,-3.0 -2,-0.4 2,-0.5 -0.939 2.7-164.9-113.5 123.3 10.0 20.6 13.5 58 65 A A E +gh 89 130D 0 30,-2.7 32,-3.0 -2,-0.5 33,-0.2 -0.936 12.5 179.9-108.4 134.6 13.5 19.7 12.2 59 66 A T + 0 0 4 71,-0.8 35,-0.3 -2,-0.5 2,-0.3 0.773 67.5 26.4-100.3 -31.4 15.0 16.3 12.9 60 67 A T > - 0 0 17 70,-0.2 4,-1.7 1,-0.1 -1,-0.2 -0.931 60.7-134.7-136.1 157.5 18.4 16.7 11.2 61 68 A G H > S+ 0 0 3 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.934 111.9 47.9 -71.9 -45.4 20.9 19.3 10.2 62 69 A V H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 110.0 55.5 -61.4 -36.5 21.4 17.8 6.7 63 70 A G H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 107.8 46.4 -64.4 -41.2 17.6 17.7 6.4 64 71 A V H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.935 113.6 49.6 -66.8 -43.0 17.1 21.4 7.2 65 72 A R H X S+ 0 0 125 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 112.9 45.9 -64.6 -42.4 19.9 22.3 4.7 66 73 A D H X S+ 0 0 57 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.849 112.4 51.3 -68.2 -35.4 18.5 20.2 1.9 67 74 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.917 111.3 46.7 -66.8 -45.2 15.0 21.5 2.5 68 75 A L H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 112.7 49.3 -65.7 -42.2 16.0 25.1 2.4 69 76 A E H X S+ 0 0 120 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.924 110.1 51.9 -62.7 -42.4 18.1 24.6 -0.8 70 77 A A H X S+ 0 0 22 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.905 108.4 52.4 -60.0 -41.7 15.1 22.8 -2.4 71 78 A G H <>S+ 0 0 1 -4,-2.2 5,-2.9 1,-0.2 4,-0.5 0.953 109.9 46.6 -61.0 -48.3 12.9 25.8 -1.5 72 79 A K H ><5S+ 0 0 150 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.831 112.2 51.0 -65.1 -32.2 15.2 28.3 -3.1 73 80 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.9 51.2 -71.4 -35.9 15.6 26.2 -6.2 74 81 A L T 3<5S- 0 0 43 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.489 118.6-111.7 -78.6 -4.5 11.9 25.9 -6.6 75 82 A G T < 5S+ 0 0 68 -3,-0.6 2,-0.4 -4,-0.5 -3,-0.2 0.806 71.6 140.7 75.9 30.9 11.5 29.6 -6.3 76 83 A L < - 0 0 38 -5,-2.9 2,-0.9 -6,-0.2 -1,-0.3 -0.844 52.8-135.0-108.5 144.5 9.8 29.4 -3.0 77 84 A D + 0 0 89 -2,-0.4 -5,-0.0 1,-0.2 -6,-0.0 -0.856 36.5 157.4 -96.7 103.4 10.2 31.6 0.1 78 85 A L > + 0 0 7 -2,-0.9 4,-2.0 2,-0.1 5,-0.2 0.699 65.4 66.9 -96.7 -24.2 10.5 29.3 3.0 79 86 A E H > S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.865 98.1 55.2 -64.8 -35.1 12.4 31.7 5.3 80 87 A G H > S+ 0 0 6 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.973 110.4 41.4 -62.7 -58.3 9.3 34.0 5.5 81 88 A P H >4 S+ 0 0 4 0, 0.0 3,-0.7 0, 0.0 -28,-0.3 0.871 115.9 50.3 -57.9 -39.9 6.8 31.3 6.7 82 89 A L H >< S+ 0 0 1 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.779 99.2 67.6 -71.7 -23.0 9.3 29.8 9.2 83 90 A A H 3< S+ 0 0 20 -4,-1.4 -1,-0.2 -3,-0.5 416,-0.1 0.797 107.9 37.4 -66.4 -27.9 10.1 33.2 10.6 84 91 A K T << S+ 0 0 36 -4,-0.8 -1,-0.2 -3,-0.7 2,-0.2 0.287 104.1 88.8-107.2 9.9 6.6 33.4 12.1 85 92 A A S < S- 0 0 0 -3,-0.9 2,-0.6 -4,-0.2 -30,-0.3 -0.682 86.4-103.7-104.9 160.2 6.3 29.8 13.1 86 93 A F E -g 55 0D 25 -32,-2.9 -30,-2.8 -2,-0.2 2,-0.5 -0.767 42.4-152.1 -80.6 124.0 7.3 28.1 16.3 87 94 A R E -g 56 0D 15 -2,-0.6 19,-3.1 -32,-0.2 20,-1.2 -0.871 16.6-179.3-108.5 123.3 10.5 26.2 15.5 88 95 A L E -gi 57 107D 0 -32,-3.0 -30,-2.7 -2,-0.5 2,-0.4 -0.950 9.0-160.6-120.7 138.4 11.6 23.1 17.3 89 96 A A E -gi 58 108D 0 18,-1.9 20,-2.6 -2,-0.4 -30,-0.2 -0.960 17.0-142.1-118.0 136.8 14.8 21.1 16.6 90 97 A R S S- 0 0 12 -32,-3.0 21,-2.7 -2,-0.4 22,-0.4 0.912 76.9 -23.2 -60.5 -44.4 15.3 17.5 17.7 91 98 A G S > S- 0 0 10 -33,-0.2 4,-2.5 19,-0.2 3,-0.2 -0.836 85.4 -62.3-152.2-171.2 18.9 18.0 18.6 92 99 A A H > S+ 0 0 71 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.830 121.7 53.1 -53.9 -43.3 22.1 20.0 18.2 93 100 A K H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 112.8 42.9 -63.6 -45.7 22.6 19.3 14.5 94 101 A A H > S+ 0 0 1 -35,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 114.1 53.0 -64.4 -40.7 19.1 20.4 13.5 95 102 A A H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.928 108.4 49.1 -60.9 -48.7 19.3 23.4 15.8 96 103 A R H X S+ 0 0 116 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.906 109.1 51.6 -59.9 -43.5 22.6 24.6 14.3 97 104 A A H X S+ 0 0 4 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.880 113.2 45.7 -61.7 -37.6 21.4 24.4 10.7 98 105 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 3,-0.5 0.933 113.6 50.1 -68.3 -45.6 18.4 26.4 11.6 99 106 A K H ><5S+ 0 0 97 -4,-3.0 3,-1.9 1,-0.2 -2,-0.2 0.924 109.3 50.2 -56.5 -49.5 20.6 28.9 13.5 100 107 A E H 3<5S+ 0 0 135 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.713 105.9 57.5 -64.7 -21.2 22.9 29.2 10.5 101 108 A A T <<5S- 0 0 29 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.410 121.7-107.8 -88.7 1.3 20.0 29.9 8.3 102 109 A G T < 5S+ 0 0 58 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.712 98.4 100.2 78.6 20.9 19.0 32.8 10.5 103 110 A L < - 0 0 10 -5,-2.7 -4,-0.2 -6,-0.2 -3,-0.1 -0.447 57.6-170.2-133.4 59.4 16.0 30.9 11.9 104 111 A P - 0 0 58 0, 0.0 -17,-0.2 0, 0.0 -8,-0.1 -0.107 28.8-104.3 -52.1 146.4 17.2 29.7 15.3 105 112 A P - 0 0 17 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.315 13.5-143.1 -71.3 159.5 15.0 27.2 17.1 106 113 A H S S+ 0 0 61 -19,-3.1 2,-0.3 1,-0.4 -18,-0.2 0.742 87.0 8.9 -90.3 -31.8 12.9 28.3 20.0 107 114 A A E -i 88 0D 26 -20,-1.2 -18,-1.9 -3,-0.0 2,-0.4 -0.979 68.3-156.5-145.9 153.6 13.4 25.0 21.8 108 115 A V E -i 89 0D 56 -2,-0.3 -18,-0.2 -20,-0.2 -17,-0.1 -0.983 9.1-143.7-134.8 142.4 15.6 22.0 21.2 109 116 A G - 0 0 20 -20,-2.6 4,-0.1 -2,-0.4 -17,-0.1 0.065 36.0 -91.6 -85.6-157.0 15.3 18.4 22.4 110 117 A D S S- 0 0 109 2,-0.4 -19,-0.2 -19,-0.1 3,-0.1 0.164 71.9 -82.1-107.6 18.4 17.9 15.9 23.4 111 118 A G S S+ 0 0 7 -21,-2.7 2,-0.4 1,-0.3 -20,-0.2 0.229 106.2 98.4 99.3 -12.5 18.6 14.3 20.1 112 119 A T S > S- 0 0 13 -22,-0.4 3,-0.8 1,-0.1 -2,-0.4 -0.868 72.7-135.5-110.5 141.1 15.6 11.9 20.3 113 120 A S G > S+ 0 0 15 -2,-0.4 3,-1.9 1,-0.2 4,-0.4 0.885 103.9 63.0 -60.6 -35.0 12.3 12.6 18.6 114 121 A K G > S+ 0 0 100 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.811 90.2 67.3 -60.2 -29.3 10.4 11.5 21.7 115 122 A S G < S+ 0 0 25 -3,-0.8 4,-0.3 1,-0.2 -1,-0.3 0.686 91.6 64.3 -66.7 -15.7 12.0 14.4 23.7 116 123 A L G X> S+ 0 0 0 -3,-1.9 3,-1.0 -4,-0.4 4,-0.7 0.725 79.4 81.2 -79.9 -23.5 10.0 16.8 21.5 117 124 A L G X4 S+ 0 0 55 -3,-1.2 3,-1.7 -4,-0.4 -1,-0.2 0.924 93.0 47.1 -45.4 -56.7 6.6 15.7 22.7 118 125 A P G 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.704 109.9 55.9 -58.4 -25.1 6.7 17.8 26.0 119 126 A L G <4 S+ 0 0 66 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.501 77.8 117.2 -91.6 -5.7 7.8 20.8 24.1 120 127 A L << - 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0 0 13 -4,-0.7 -29,-0.1 -3,-0.2 -30,-0.0 -0.602 65.5-142.0 -85.7 143.4 -13.1 51.1 30.0 452 203 B K S S+ 0 0 165 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.868 96.9 28.4 -69.5 -37.0 -15.5 54.0 30.2 453 204 B D > + 0 0 74 1,-0.1 4,-2.2 2,-0.1 -1,-0.3 -0.679 61.4 170.8-129.8 81.2 -16.8 53.6 26.7 454 205 B P H > S+ 0 0 44 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.814 80.7 58.9 -57.9 -30.8 -16.6 49.9 25.4 455 206 B K H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.963 109.1 40.1 -63.7 -53.9 -18.6 50.9 22.3 456 207 B A H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 116.6 53.3 -62.8 -35.3 -16.1 53.5 21.1 457 208 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 108.5 48.4 -64.3 -46.3 -13.3 51.1 22.1 458 209 B R H < S+ 0 0 76 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.906 113.4 48.0 -59.7 -43.3 -14.8 48.3 20.1 459 210 B E H >< S+ 0 0 90 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.902 108.5 53.1 -66.3 -42.4 -15.2 50.5 17.1 460 211 B A H ><>S+ 0 0 12 -4,-2.5 5,-2.4 1,-0.3 3,-1.4 0.908 106.6 53.1 -59.1 -43.6 -11.6 51.8 17.3 461 212 B L T 3<5S+ 0 0 3 -4,-2.1 6,-0.6 1,-0.3 -1,-0.3 0.472 108.2 52.8 -72.7 -3.1 -10.2 48.3 17.4 462 213 B N T < 5S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.384 125.5 14.5-109.8 1.4 -12.2 47.5 14.2 463 214 B T T < 5S+ 0 0 114 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.464 132.7 18.0-140.9 -78.1 -11.0 50.4 12.2 464 215 B R T 5S+ 0 0 153 -4,-0.2 2,-0.5 -5,-0.2 -3,-0.2 0.636 117.7 59.4 -80.2 -13.9 -7.9 52.6 13.2 465 216 B V S S- 0 0 25 18,-3.1 4,-1.8 -2,-0.8 18,-0.1 0.114 85.5 -93.0 98.1 149.1 -3.8 32.2 21.3 472 223 B R H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.823 122.3 58.5 -73.5 -23.6 -7.2 31.5 20.0 473 224 B V H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 107.5 47.4 -69.5 -41.2 -8.8 32.1 23.6 474 225 B T H > S+ 0 0 6 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.902 112.4 51.4 -63.1 -38.8 -7.4 35.7 23.6 475 226 B A H X S+ 0 0 7 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.906 108.1 50.4 -63.9 -43.1 -8.8 36.0 20.0 476 227 B D H X S+ 0 0 65 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.861 104.6 58.5 -64.2 -36.2 -12.2 34.8 21.1 477 228 B A H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.899 108.8 45.4 -60.2 -41.0 -12.2 37.3 24.0 478 229 B L H <>S+ 0 0 0 -4,-1.5 5,-3.2 2,-0.2 -2,-0.2 0.912 112.3 49.7 -67.7 -45.0 -11.8 40.1 21.4 479 230 B R H ><5S+ 0 0 146 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.889 107.3 57.6 -59.3 -39.5 -14.5 38.6 19.1 480 231 B E H 3<5S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.894 105.1 48.9 -59.5 -40.9 -16.7 38.4 22.2 481 232 B W T 3<5S- 0 0 57 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.163 129.2 -97.6 -86.3 22.4 -16.3 42.1 22.7 482 233 B G T < 5S+ 0 0 36 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.635 83.9 129.7 75.4 16.0 -17.2 42.7 19.1 483 234 B V < - 0 0 1 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.859 49.9-146.2-108.1 138.8 -13.6 43.1 17.9 484 235 B K - 0 0 119 -2,-0.4 -17,-0.4 -23,-0.2 -8,-0.1 -0.889 26.4-125.8-102.4 111.3 -12.1 41.2 14.9 485 236 B P - 0 0 11 0, 0.0 -17,-0.2 0, 0.0 3,-0.2 -0.220 7.1-150.4 -55.1 136.9 -8.4 40.4 15.6 486 237 B F S S+ 0 0 34 -19,-2.7 2,-0.3 1,-0.3 -18,-0.2 0.829 84.5 6.7 -76.8 -32.3 -6.1 41.7 12.8 487 238 B Y E -n 468 0E 40 -20,-1.3 -18,-2.5 2,-0.0 2,-0.5 -0.984 62.1-157.3-152.7 139.6 -3.8 38.8 13.6 488 239 B V E -n 469 0E 44 -2,-0.3 -18,-0.2 -20,-0.2 2,-0.1 -0.906 14.7-155.1-123.9 105.9 -3.9 35.7 15.9 489 240 B D E -n 470 0E 0 -20,-2.7 -18,-3.1 -2,-0.5 -14,-0.1 -0.384 14.3-177.9 -76.4 151.5 -0.6 34.2 16.9 490 241 B E + 0 0 27 -20,-0.2 -1,-0.1 -19,-0.1 -404,-0.1 0.101 68.8 77.4-136.1 21.2 -0.4 30.5 17.9 491 242 B T S S- 0 0 4 2,-0.2 3,-0.1 -407,-0.1 -21,-0.1 0.629 90.1-131.0-104.1 -21.2 3.3 30.3 18.9 492 243 B E + 0 0 111 1,-0.3 2,-0.3 -371,-0.1 3,-0.1 0.820 70.0 106.1 72.7 32.4 3.0 31.9 22.3 493 244 B R > - 0 0 42 1,-0.1 4,-0.9 -407,-0.0 -1,-0.3 -0.898 68.6-140.8-135.5 165.3 5.8 34.2 21.7 494 245 B L H > S+ 0 0 2 -2,-0.3 4,-2.2 2,-0.2 5,-0.3 0.622 104.0 64.5 -92.4 -27.4 6.1 37.9 21.0 495 246 B G H > S+ 0 0 15 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.904 111.3 34.8 -63.2 -39.5 8.9 37.2 18.6 496 247 B S H > S+ 0 0 0 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.868 115.1 55.0 -82.1 -39.8 6.4 35.3 16.4 497 248 B L H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.948 112.9 43.6 -57.4 -49.8 3.4 37.5 17.0 498 249 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.877 116.6 45.2 -65.1 -40.7 5.2 40.6 16.0 499 250 B Q H X S+ 0 0 47 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.865 115.8 47.9 -72.0 -35.0 6.9 39.0 12.9 500 251 B G H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.865 112.1 49.9 -70.3 -34.1 3.5 37.4 12.0 501 252 B F H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.932 108.4 49.9 -73.1 -40.0 1.9 40.6 12.4 502 253 B K H X S+ 0 0 88 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.843 111.0 54.5 -63.0 -31.1 4.5 42.5 10.3 503 254 B R H X S+ 0 0 64 -4,-1.5 4,-1.7 2,-0.3 5,-0.3 0.951 107.9 45.9 -66.9 -53.1 3.8 39.8 7.7 504 255 B A H X S+ 0 0 14 -4,-2.4 4,-0.8 1,-0.3 -2,-0.2 0.824 107.9 57.2 -59.9 -36.0 0.1 40.4 7.7 505 256 B L H >< S+ 0 0 37 -4,-2.7 3,-1.1 1,-0.2 -1,-0.3 0.914 106.5 52.7 -65.0 -30.8 0.8 44.0 7.5 506 257 B Q H 3< S+ 0 0 142 -4,-1.0 -2,-0.3 1,-0.3 3,-0.2 0.964 106.9 48.1 -75.8 -27.8 2.7 42.9 4.4 507 258 B K H 3< S+ 0 0 126 -4,-1.7 2,-0.8 1,-0.3 -1,-0.3 0.596 98.5 77.5 -73.2 -14.5 -0.2 40.9 2.8 508 259 B E S << S+ 0 0 123 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 -0.520 75.5 105.8-107.2 66.3 -2.4 43.7 3.4 509 260 B V 0 0 110 -2,-0.8 -3,-0.0 -3,-0.2 -4,-0.0 -0.831 360.0 360.0-132.2-175.5 -1.4 46.1 0.7 510 261 B A 0 0 158 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.010 360.0 360.0-120.3 360.0 -2.3 47.7 -2.4