==== 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 LYASE 19-SEP-06 2IEX . COMPND 2 MOLECULE: DIHYDROXYNAPTHOIC ACID SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR J.JEYAKANTHAN,S.P.KANAUJIA,C.VASUKI RANJANI,K.SEKAR,S.BABA,A . 759 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.5 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 37 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 3 0 3 3 4 0 6 2 1 5 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 6 6 0 3 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 4 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 1 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 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 5 A W 0 0 95 0, 0.0 2,-0.7 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 136.2 42.7 -1.5 8.9 2 6 A V - 0 0 96 12,-2.3 12,-0.5 0, 0.0 2,-0.1 -0.859 360.0-128.9-110.5 98.6 43.5 -4.3 11.4 3 7 A K - 0 0 108 -2,-0.7 10,-0.3 10,-0.2 3,-0.0 -0.239 31.6-172.6 -47.1 108.9 40.5 -5.0 13.7 4 8 A Q + 0 0 60 8,-2.1 2,-0.2 -2,-0.1 -1,-0.2 0.767 52.5 2.9 -82.0 -34.9 42.5 -4.7 17.1 5 9 A Y S S- 0 0 116 7,-0.7 2,-0.7 2,-0.0 7,-0.3 -0.802 79.7 -93.3-141.4-176.9 40.1 -5.8 19.9 6 10 A D + 0 0 145 -2,-0.2 2,-0.2 5,-0.1 5,-0.1 -0.863 46.3 165.3-114.6 105.2 36.6 -7.2 20.2 7 11 A Y - 0 0 29 -2,-0.7 5,-0.1 3,-0.2 29,-0.0 -0.712 26.4-154.0-110.4 164.2 33.8 -4.7 20.8 8 12 A E S S+ 0 0 136 -2,-0.2 -1,-0.1 27,-0.1 28,-0.1 0.865 90.0 28.4-102.5 -55.2 30.1 -5.0 20.5 9 13 A D S S+ 0 0 12 26,-0.1 15,-2.6 14,-0.0 2,-0.2 0.616 126.8 27.5 -85.4 -14.9 28.5 -1.6 19.7 10 14 A I E S-A 23 0A 1 13,-0.2 2,-0.4 15,-0.0 -3,-0.2 -0.742 72.3-122.4-134.7-175.8 31.6 -0.2 17.9 11 15 A I E -A 22 0A 32 11,-1.4 11,-2.7 -2,-0.2 2,-0.5 -0.998 14.5-162.1-136.0 135.8 34.6 -1.2 15.9 12 16 A Y E +A 21 0A 2 -2,-0.4 -8,-2.1 -7,-0.3 -7,-0.7 -0.958 21.4 157.0-124.7 115.6 38.3 -0.5 16.6 13 17 A E E -A 20 0A 36 7,-2.2 7,-2.7 -2,-0.5 2,-0.3 -0.880 19.1-157.0-132.4 162.3 40.9 -0.8 13.9 14 18 A T E +A 19 0A 16 -12,-0.5 -12,-2.3 -2,-0.3 5,-0.2 -0.926 9.9 177.3-138.8 162.9 44.4 0.6 13.2 15 19 A Y E > -A 18 0A 106 3,-2.2 3,-1.7 -2,-0.3 -2,-0.0 -0.690 67.0 -27.5-172.6 114.9 46.7 1.3 10.3 16 20 A N T 3 S- 0 0 125 1,-0.3 3,-0.1 -2,-0.2 37,-0.0 0.745 129.4 -36.9 49.9 35.1 50.2 2.9 10.1 17 21 A G T 3 S+ 0 0 14 1,-0.3 37,-2.6 36,-0.1 38,-1.4 0.369 116.8 110.5 102.9 -3.8 49.8 5.0 13.2 18 22 A I E < -Ab 15 55A 0 -3,-1.7 -3,-2.2 35,-0.2 2,-0.5 -0.892 49.2-160.9-109.1 133.3 46.1 5.8 12.7 19 23 A A E -Ab 14 56A 0 36,-1.9 38,-3.6 -2,-0.4 2,-0.5 -0.955 6.1-162.1-114.2 128.0 43.3 4.5 14.9 20 24 A K E -Ab 13 57A 19 -7,-2.7 -7,-2.2 -2,-0.5 2,-0.5 -0.945 2.8-166.0-115.7 125.2 39.8 4.4 13.6 21 25 A I E -Ab 12 58A 0 36,-3.1 38,-2.4 -2,-0.5 2,-0.5 -0.939 8.6-166.5-111.1 121.5 36.8 4.1 16.0 22 26 A T E -Ab 11 59A 8 -11,-2.7 -11,-1.4 -2,-0.5 2,-0.3 -0.915 17.0-143.8-117.4 119.0 33.4 3.3 14.4 23 27 A I E -Ab 10 60A 0 36,-2.1 38,-2.0 -2,-0.5 2,-0.4 -0.602 20.9-160.4 -71.0 131.4 30.0 3.5 16.0 24 28 A N + 0 0 67 -15,-2.6 -1,-0.1 -2,-0.3 3,-0.1 -0.640 52.3 104.9-122.2 77.1 28.1 0.6 14.6 25 29 A R > > + 0 0 22 -2,-0.4 3,-2.0 1,-0.1 5,-1.8 -0.191 25.6 155.5-144.2 46.0 24.3 1.1 15.0 26 30 A P G > 5 + 0 0 37 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.727 68.5 72.3 -46.3 -28.2 23.0 2.1 11.5 27 31 A E G 3 5S+ 0 0 139 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.906 112.3 26.8 -57.0 -42.6 19.6 0.8 12.5 28 32 A V G X 5S- 0 0 61 -3,-2.0 3,-0.6 3,-0.1 -1,-0.3 -0.057 127.4 -95.6-108.8 29.2 19.2 3.8 14.8 29 33 A H T < 5S- 0 0 70 -3,-1.7 37,-0.1 1,-0.2 -2,-0.1 0.913 77.2 -58.8 56.3 48.1 21.5 6.0 12.7 30 34 A N T 3 > - 0 0 95 -2,-0.4 4,-1.6 37,-0.2 3,-0.8 -0.868 50.5 -85.3-123.1 159.0 23.5 4.1 24.5 34 38 A P H 3> S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 36,-0.0 0.762 127.3 50.8 -32.7 -42.2 25.3 3.9 27.8 35 39 A K H 3> S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.943 105.8 50.6 -68.3 -50.1 27.1 0.7 26.5 36 40 A T H <> S+ 0 0 0 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.792 109.7 54.2 -60.5 -26.0 28.4 2.0 23.2 37 41 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 3,-0.2 0.949 105.0 52.0 -71.4 -48.9 29.8 5.1 25.0 38 42 A N H X S+ 0 0 90 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.834 109.0 52.0 -55.8 -33.1 31.8 2.9 27.5 39 43 A E H X S+ 0 0 16 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.880 106.7 51.5 -72.4 -38.0 33.3 1.1 24.5 40 44 A M H X S+ 0 0 0 -4,-1.5 4,-2.9 -3,-0.2 5,-0.3 0.884 108.5 53.6 -65.0 -36.9 34.4 4.3 22.9 41 45 A I H X S+ 0 0 36 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.978 111.3 44.3 -58.4 -56.9 36.0 5.2 26.2 42 46 A D H X S+ 0 0 63 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.881 114.6 50.4 -55.4 -42.8 38.0 2.0 26.3 43 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.936 111.3 45.8 -64.0 -50.4 38.9 2.3 22.6 44 48 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.899 112.7 52.3 -60.0 -40.4 40.2 5.8 22.8 45 49 A T H X S+ 0 0 45 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.942 108.1 51.4 -60.5 -46.0 42.1 4.8 25.9 46 50 A K H X S+ 0 0 59 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.938 113.4 43.6 -55.0 -49.8 43.6 1.9 23.9 47 51 A A H < S+ 0 0 0 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.847 110.1 59.7 -64.8 -33.1 44.6 4.4 21.2 48 52 A R H < S+ 0 0 103 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.947 112.0 35.9 -60.1 -50.7 45.8 6.7 23.9 49 53 A D H < S+ 0 0 115 -4,-2.6 2,-1.2 -5,-0.1 -1,-0.2 0.699 91.6 101.6 -78.3 -20.1 48.3 4.3 25.4 50 54 A D >< - 0 0 37 -4,-1.6 3,-2.5 -5,-0.3 -1,-0.1 -0.528 57.8-163.8 -69.7 96.8 49.3 2.8 22.0 51 55 A S T 3 S+ 0 0 110 -2,-1.2 -1,-0.2 1,-0.3 -4,-0.1 0.555 85.6 63.6 -59.2 -8.6 52.6 4.6 21.4 52 56 A N T 3 S+ 0 0 130 -5,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.604 89.0 79.9 -91.0 -14.2 52.4 3.5 17.7 53 57 A I < + 0 0 9 -3,-2.5 -35,-0.2 -6,-0.3 3,-0.1 -0.827 44.6 164.4 -96.8 128.1 49.2 5.6 17.2 54 58 A G + 0 0 30 -37,-2.6 2,-0.3 -2,-0.5 -36,-0.2 0.458 66.2 34.8-119.4 -6.5 49.6 9.3 16.6 55 59 A V E -b 18 0A 0 -38,-1.4 -36,-1.9 34,-0.2 2,-0.4 -0.991 65.6-151.5-147.4 148.1 46.2 10.3 15.2 56 60 A I E -bc 19 91A 0 34,-2.3 36,-3.3 -2,-0.3 2,-0.4 -0.979 2.7-157.8-129.3 138.0 42.7 9.1 15.9 57 61 A I E -bc 20 92A 0 -38,-3.6 -36,-3.1 -2,-0.4 2,-0.5 -0.923 3.2-164.9-114.3 136.3 39.6 9.0 13.6 58 62 A L E +bc 21 93A 0 34,-2.5 36,-3.5 -2,-0.4 2,-0.3 -0.978 25.6 145.3-119.9 129.2 36.0 8.9 14.8 59 63 A T E -bc 22 94A 5 -38,-2.4 -36,-2.1 -2,-0.5 2,-0.3 -0.956 42.4-109.6-155.1 172.1 33.3 8.0 12.4 60 64 A G E -b 23 0A 8 34,-0.6 -36,-0.2 -2,-0.3 7,-0.1 -0.803 16.0-142.8-107.9 152.3 29.9 6.2 11.9 61 65 A A S S+ 0 0 42 -38,-2.0 -37,-0.1 -2,-0.3 -1,-0.1 0.882 83.4 81.0 -80.2 -42.9 29.4 3.0 10.0 62 66 A G S S- 0 0 29 -39,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.786 83.2-139.5 -29.8 -58.0 26.1 3.8 8.3 63 67 A G S S+ 0 0 32 2,-0.8 34,-0.2 33,-0.3 -1,-0.2 0.104 100.7 53.3 106.9 -18.2 27.4 5.8 5.5 64 68 A K S S+ 0 0 114 1,-0.2 34,-1.9 32,-0.2 2,-0.3 0.098 110.1 47.4-130.2 15.0 24.5 8.2 6.0 65 69 A A E -g 98 0C 1 32,-0.4 -2,-0.8 1,-0.1 -1,-0.2 -0.948 43.0-178.8-160.8 137.0 25.0 8.8 9.7 66 70 A F E S- 0 0 1 32,-4.1 2,-0.3 1,-0.6 -43,-0.2 0.789 82.2 -40.7 -98.4 -46.2 28.0 9.7 12.0 67 71 A C E -g 99 0C 0 31,-2.2 33,-1.9 -7,-0.1 -1,-0.6 -0.868 41.2-156.6-176.6 151.1 26.0 9.6 15.2 68 72 A S - 0 0 41 1,-0.6 34,-0.3 -38,-0.3 -37,-0.2 -0.025 52.1-111.3-126.3 23.8 22.5 10.9 16.0 69 73 A G - 0 0 1 -39,-0.3 -37,-3.1 32,-0.3 -1,-0.6 -0.526 59.8 -26.0 79.3-148.8 23.2 11.2 19.8 70 74 A G B f 32 0B 51 -39,-0.3 -37,-0.2 -2,-0.1 32,-0.1 -0.700 360.0 360.0-121.1 163.3 21.4 8.9 22.3 71 75 A D 0 0 122 -39,-1.1 -1,-0.1 -2,-0.2 -39,-0.0 -0.195 360.0 360.0 -77.8 360.0 18.4 6.6 23.1 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 91 A P 0 0 154 0, 0.0 2,-0.4 0, 0.0 -40,-0.0 0.000 360.0 360.0 360.0 41.0 20.3 7.7 31.8 74 92 A R - 0 0 123 690,-0.1 2,-0.5 0, 0.0 3,-0.2 -0.890 360.0-134.3-136.1 139.3 23.9 8.0 33.1 75 93 A L > + 0 0 125 -2,-0.4 3,-1.6 1,-0.2 4,-0.4 -0.309 50.1 147.6-101.8 55.8 25.4 10.9 31.2 76 94 A N T 3> + 0 0 13 -2,-0.5 4,-1.2 1,-0.3 3,-0.2 0.513 53.8 79.3 -67.1 -4.2 28.7 9.1 30.4 77 95 A V H 3> S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.833 85.8 64.0 -72.1 -25.6 29.2 10.8 27.0 78 96 A L H <> S+ 0 0 63 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.879 99.7 51.9 -61.0 -38.4 30.4 13.8 29.1 79 97 A D H > S+ 0 0 84 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.864 109.2 50.2 -65.6 -37.3 33.3 11.6 30.2 80 98 A L H X S+ 0 0 1 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.877 106.3 55.1 -69.3 -38.5 34.1 10.7 26.6 81 99 A Q H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.943 110.8 45.0 -59.3 -47.4 34.1 14.4 25.6 82 100 A R H X S+ 0 0 118 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.910 112.7 52.0 -62.7 -42.4 36.7 15.1 28.3 83 101 A L H X S+ 0 0 19 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.936 105.7 53.0 -60.1 -50.0 38.7 12.1 27.3 84 102 A I H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 5,-0.2 0.838 113.4 46.2 -55.2 -32.9 38.8 13.1 23.6 85 103 A R H < S+ 0 0 6 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.816 112.2 48.7 -80.5 -32.3 40.1 16.5 24.7 86 104 A V H < S+ 0 0 46 -4,-2.0 -2,-0.2 -3,-0.2 -3,-0.2 0.812 81.7 102.9 -79.7 -30.8 42.8 15.1 27.1 87 105 A I S < S- 0 0 0 -4,-2.4 2,-1.5 -5,-0.2 4,-0.1 -0.361 75.5-134.9 -56.3 120.3 44.3 12.5 24.7 88 106 A P S S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 111,-0.1 -0.008 79.3 86.3 -70.2 34.9 47.6 14.2 23.6 89 107 A K S S- 0 0 23 -2,-1.5 -34,-0.2 -5,-0.2 -2,-0.1 -0.999 88.5-101.2-139.0 138.6 46.8 13.2 20.0 90 108 A P - 0 0 2 0, 0.0 -34,-2.3 0, 0.0 2,-0.5 -0.316 33.4-154.6 -58.5 135.7 44.7 14.9 17.3 91 109 A V E -c 56 0A 0 -36,-0.2 21,-1.8 18,-0.1 20,-0.7 -0.971 5.8-161.6-117.7 119.7 41.2 13.4 16.9 92 110 A I E -cd 57 112A 0 -36,-3.3 -34,-2.5 -2,-0.5 2,-0.6 -0.890 10.1-145.4-105.3 123.6 39.5 13.8 13.5 93 111 A A E -cd 58 113A 0 19,-3.1 21,-2.8 -2,-0.5 2,-0.8 -0.761 9.9-157.5 -86.1 124.0 35.8 13.4 13.2 94 112 A M E -cd 59 114A 10 -36,-3.5 -34,-0.6 -2,-0.6 2,-0.5 -0.880 18.2-161.3-103.9 99.8 35.0 11.8 9.8 95 113 A V E + d 0 115A 0 19,-2.6 21,-2.2 -2,-0.8 2,-0.4 -0.750 22.3 164.8 -98.0 123.7 31.4 12.8 9.2 96 114 A A - 0 0 5 -2,-0.5 -33,-0.3 2,-0.2 -32,-0.2 -0.996 63.7 -25.6-129.4 131.1 29.1 11.1 6.7 97 115 A G S S+ 0 0 3 -2,-0.4 23,-2.5 -34,-0.2 -32,-0.4 -0.335 116.6 22.1 68.1-144.8 25.4 11.7 6.9 98 116 A Y E +gh 65 120C 83 -34,-1.9 -32,-4.1 21,-0.2 -31,-2.2 -0.348 44.9 170.4 -67.7 129.3 23.8 12.7 10.3 99 117 A A E +gh 67 121C 0 21,-2.4 23,-1.1 -33,-0.2 2,-0.3 -0.781 35.0 157.0-132.6 79.8 25.9 14.2 13.1 100 118 A I E > - h 0 122C 16 -33,-1.9 3,-2.4 -2,-0.3 23,-0.2 -0.822 43.4 -23.3-118.1 154.0 23.0 15.2 15.4 101 119 A G T >> S+ 0 0 5 21,-1.3 4,-2.0 -2,-0.3 3,-1.2 -0.275 135.0 0.8 55.3-129.3 22.3 15.9 19.0 102 120 A G H 3> S+ 0 0 24 1,-0.3 4,-1.7 -34,-0.3 -1,-0.3 0.797 135.4 62.1 -58.4 -25.0 24.9 14.3 21.3 103 121 A G H <> S+ 0 0 0 -3,-2.4 4,-1.3 2,-0.2 -1,-0.3 0.835 101.9 48.4 -69.8 -33.5 26.4 13.1 18.0 104 122 A H H <> S+ 0 0 1 -3,-1.2 4,-2.2 18,-0.3 3,-0.2 0.928 108.7 52.8 -72.0 -45.0 26.9 16.7 16.8 105 123 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.883 105.9 57.5 -56.6 -36.9 28.6 17.7 20.1 106 124 A L H X S+ 0 0 1 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.898 107.6 43.5 -62.4 -44.0 30.9 14.7 19.6 107 125 A H H < S+ 0 0 0 -4,-1.3 3,-0.3 -3,-0.2 -14,-0.2 0.853 111.2 59.3 -69.7 -31.4 32.2 15.9 16.3 108 126 A V H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.940 104.5 46.9 -61.8 -47.5 32.5 19.4 17.8 109 127 A V H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.657 91.0 98.0 -72.6 -14.3 34.9 18.3 20.6 110 128 A C S < S- 0 0 0 -4,-0.8 -18,-0.1 -3,-0.3 -25,-0.1 -0.470 86.7-119.5 -69.4 148.4 37.1 16.4 18.1 111 129 A D S S+ 0 0 0 -20,-0.7 2,-0.3 -27,-0.2 -19,-0.2 0.929 90.0 9.7 -54.8 -49.4 40.1 18.5 17.1 112 130 A L E -d 92 0A 0 -21,-1.8 -19,-3.1 293,-0.1 2,-0.4 -0.852 64.2-150.3-131.0 164.7 39.1 18.5 13.4 113 131 A T E -d 93 0A 0 -2,-0.3 58,-2.1 -21,-0.2 59,-1.0 -0.987 5.0-170.6-140.3 127.7 36.2 17.5 11.2 114 132 A I E -de 94 172A 0 -21,-2.8 -19,-2.6 -2,-0.4 2,-0.3 -0.980 19.8-164.9-116.9 126.0 36.2 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3,-2.2 1,-0.2 -2,-0.2 0.899 105.4 63.0 -67.2 -38.3 42.2 55.6 12.6 446 209 B L H 3< S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 96.2 57.8 -59.1 -25.9 44.2 58.8 13.1 447 210 B E T << S+ 0 0 147 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 0.319 95.4 88.5 -88.4 11.0 41.1 60.9 12.8 448 211 B K S < S- 0 0 17 -3,-2.2 189,-0.2 1,-0.1 3,-0.0 -0.561 96.9 -79.8-101.8 168.0 39.6 59.0 15.7 449 212 B S > - 0 0 35 187,-2.1 4,-2.0 -2,-0.2 5,-0.1 -0.539 33.7-151.8 -68.6 121.7 39.8 59.8 19.5 450 213 B P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.874 96.6 49.5 -61.9 -36.7 43.2 58.4 20.7 451 214 B T H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.898 108.5 49.9 -69.6 -44.5 41.7 57.9 24.1 452 215 B A H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 112.9 50.2 -61.9 -40.3 38.6 56.0 22.9 453 216 B I H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.927 108.0 50.1 -64.6 -47.6 40.8 53.8 20.9 454 217 B R H X S+ 0 0 64 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.875 110.5 50.7 -61.5 -36.9 43.3 52.9 23.7 455 218 B F H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.878 111.7 47.3 -67.4 -38.4 40.4 52.0 26.0 456 219 B L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.913 111.8 49.6 -69.6 -43.5 38.8 49.7 23.4 457 220 B K H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.930 113.2 47.5 -61.4 -43.3 42.2 48.1 22.6 458 221 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 15,-0.3 0.902 111.6 50.7 -62.7 -41.1 42.7 47.5 26.4 459 222 B A H X S+ 0 0 4 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.865 108.5 52.0 -64.7 -37.5 39.1 46.2 26.7 460 223 B F H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.897 110.8 47.7 -65.1 -41.0 39.8 43.8 23.8 461 224 B N H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-1.1 0.854 106.6 57.3 -68.2 -34.4 42.9 42.5 25.6 462 225 B A H 3< S+ 0 0 24 -4,-2.1 4,-0.4 7,-0.3 -1,-0.2 0.755 89.3 77.0 -67.1 -24.1 41.0 42.2 28.8 463 226 B D T 3< S+ 0 0 26 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.821 117.2 9.8 -55.1 -33.6 38.6 39.8 27.0 464 227 B S T <4 S+ 0 0 32 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.527 116.3 69.8-126.2 -9.5 41.1 37.0 27.2 465 228 B D S >X S- 0 0 36 -4,-1.7 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4,-2.0 0, 0.0 -1,-0.2 0.809 98.1 49.5 -53.0 -36.2 11.4 26.6 27.5 706 214 C T H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.847 107.6 53.4 -74.4 -35.6 13.5 25.0 30.2 707 215 C A H > S+ 0 0 2 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.936 111.4 47.5 -63.5 -44.7 15.9 23.6 27.7 708 216 C I H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.903 109.3 50.8 -64.0 -46.0 16.3 27.0 26.1 709 217 C R H X S+ 0 0 65 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.895 111.4 48.4 -63.0 -39.2 16.9 28.9 29.4 710 218 C F H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.874 112.2 49.5 -66.9 -37.8 19.6 26.5 30.5 711 219 C L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.917 110.9 49.1 -67.0 -43.3 21.3 26.8 27.1 712 220 C K H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.886 111.9 49.0 -63.7 -38.9 21.2 30.6 27.2 713 221 C A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 15,-0.3 0.886 109.6 52.3 -66.7 -39.9 22.6 30.7 30.7 714 222 C A H X S+ 0 0 4 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.882 108.1 51.0 -63.4 -39.5 25.4 28.3 29.6 715 223 C F H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.898 111.3 48.0 -65.4 -39.6 26.3 30.6 26.7 716 224 C N H >X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.9 0.830 106.2 58.1 -69.8 -29.6 26.5 33.5 29.1 717 225 C A H 3< S+ 0 0 24 -4,-1.9 4,-0.4 7,-0.3 -1,-0.2 0.748 90.8 73.3 -71.0 -22.8 28.6 31.4 31.4 718 226 C D T 3< S+ 0 0 28 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.805 117.5 13.1 -61.4 -29.7 31.1 31.0 28.6 719 227 C S T <4 S+ 0 0 29 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.583 116.7 66.4-124.4 -11.3 32.3 34.6 28.9 720 228 C D S >X S- 0 0 37 -4,-1.8 4,-1.4 1,-0.3 3,-1.4 0.122 72.6-155.3-105.5 23.6 31.0 36.0 32.2 721 229 C G H >> S- 0 0 42 -4,-0.4 4,-2.3 1,-0.3 3,-0.6 -0.050 75.0 -4.4 42.4-136.1 32.7 34.1 34.9 722 230 C L H 3> S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.782 133.9 59.1 -57.2 -32.6 30.8 34.1 38.2 723 231 C A H <> S+ 0 0 65 -3,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.919 111.8 42.1 -63.7 -40.2 28.1 36.4 36.9 724 232 C G H < S+ 0 0 84 -4,-2.6 3,-2.0 1,-0.2 4,-0.4 0.919 107.6 55.7 -60.3 -45.8 14.7 23.3 38.5 736 244 C F H >< S+ 0 0 86 -4,-2.3 3,-2.0 1,-0.3 6,-0.5 0.867 96.5 64.2 -56.5 -39.2 15.7 21.6 41.7 737 245 C Y T 3< S+ 0 0 154 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.667 96.2 60.7 -60.1 -15.2 12.7 23.2 43.5 738 246 C T T < S+ 0 0 95 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.647 90.0 93.7 -86.4 -16.2 10.5 21.2 41.1 739 247 C T S <> S- 0 0 37 -3,-2.0 4,-1.4 -4,-0.4 5,-0.1 -0.232 81.0-123.6 -78.1 166.2 11.9 17.9 42.4 740 248 C E H > S+ 0 0 117 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.762 109.5 60.9 -76.1 -28.9 10.6 15.5 45.1 741 249 C E H > S+ 0 0 61 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.948 105.9 42.9 -64.7 -52.2 13.9 15.8 46.9 742 250 C A H >> S+ 0 0 15 -6,-0.5 4,-2.0 1,-0.2 3,-0.7 0.889 110.8 54.5 -63.4 -43.6 13.8 19.5 47.5 743 251 C K H 3X S+ 0 0 93 -4,-1.4 4,-3.0 1,-0.3 5,-0.3 0.851 101.2 60.8 -60.3 -34.0 10.2 19.6 48.5 744 252 C E H 3X S+ 0 0 10 -4,-1.3 4,-1.8 1,-0.2 -1,-0.3 0.863 107.2 46.4 -60.1 -34.9 11.1 17.0 51.1 745 253 C G H << S+ 0 0 23 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.886 111.8 49.1 -75.0 -40.2 13.4 19.6 52.6 746 254 C M H >< S+ 0 0 125 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.931 116.9 41.4 -64.8 -46.8 10.9 22.4 52.4 747 255 C R H >X S+ 0 0 128 -4,-3.0 4,-1.8 1,-0.3 3,-1.8 0.856 109.9 56.3 -70.2 -36.5 8.2 20.4 54.1 748 256 C A T 3<>S+ 0 0 8 -4,-1.8 5,-1.3 -5,-0.3 -1,-0.3 0.561 107.3 53.3 -71.2 -5.0 10.6 18.8 56.7 749 257 C F T <45S+ 0 0 175 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.389 112.1 43.1-104.8 -3.9 11.3 22.5 57.4 750 258 C K T <45S+ 0 0 150 -3,-1.8 -2,-0.2 3,-0.1 -3,-0.1 0.515 115.0 48.2-113.2 -17.5 7.6 23.1 58.0 751 259 C E T <5S- 0 0 119 -4,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.416 105.4-124.7-102.9 -2.8 6.9 19.9 60.0 752 260 C K T 5 + 0 0 202 -5,-0.2 2,-0.3 1,-0.2 -3,-0.2 0.895 66.9 122.2 59.5 46.7 9.9 20.4 62.3 753 261 C R S + 0 0 95 -2,-0.7 3,-2.2 1,-0.2 -1,-0.1 0.697 60.9 77.0 -96.8 -21.6 17.0 12.4 51.8 758 266 C S T 3 S+ 0 0 108 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.666 81.7 79.5 -61.8 -11.8 18.1 8.7 51.4 759 267 C Q T 3 S+ 0 0 113 -3,-0.1 -1,-0.3 -18,-0.1 -2,-0.1 0.820 86.9 65.7 -62.3 -34.0 14.5 8.4 50.2 760 268 C F S < S- 0 0 23 -3,-2.2 -3,-0.0 1,-0.1 0, 0.0 -0.672 89.9-105.4 -97.1 148.9 15.6 9.8 46.9 761 269 C P - 0 0 104 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.118 15.8-132.5 -68.2 160.2 18.0 8.2 44.3 762 270 C R - 0 0 218 1,-0.1 -4,-0.0 -4,-0.1 0, 0.0 -0.901 21.4-175.8-109.5 142.0 21.5 9.1 43.3 763 271 C F 0 0 169 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.990 360.0 360.0 -72.4 -68.5 22.1 9.3 39.5 764 272 C P 0 0 143 0, 0.0 -690,-0.1 0, 0.0 -1,-0.1 -0.727 360.0 360.0-106.0 360.0 25.1 9.8 39.4