==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-MAY-11 3RSI . COMPND 2 MOLECULE: PUTATIVE ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 728 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.1 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 . 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 . 34 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.9 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 6 3 3 1 3 0 2 3 3 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 4 5 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 . 0 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 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 R 0 0 166 0, 0.0 3,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 110.6 28.4 44.2 27.1 2 6 A E + 0 0 37 1,-0.2 15,-3.0 26,-0.1 2,-0.4 0.514 360.0 51.7 -86.9 -8.0 29.2 43.5 23.4 3 7 A L E S-A 16 0A 0 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.955 80.3-151.4-128.6 111.0 26.7 46.3 22.7 4 8 A L E -A 15 0A 62 11,-2.7 11,-2.4 -2,-0.4 2,-0.5 -0.674 8.3-164.2 -79.0 135.2 27.2 49.7 24.4 5 9 A V E +A 14 0A 53 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 17.6 167.1-121.0 114.6 24.0 51.6 24.9 6 10 A E E -A 13 0A 89 7,-2.6 7,-3.2 -2,-0.5 2,-0.3 -0.934 22.4-136.6-132.6 155.4 24.5 55.3 25.8 7 11 A R E +A 12 0A 113 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.856 19.6 178.8-116.6 142.7 22.2 58.4 26.0 8 12 A D E > S-A 11 0A 98 3,-2.8 3,-2.3 -2,-0.3 -2,-0.0 -0.776 71.2 -77.6-134.8 81.9 22.6 62.0 24.8 9 13 A G T 3 S- 0 0 48 1,-0.3 -1,-0.2 -2,-0.2 36,-0.0 -0.358 117.2 -0.1 59.4-120.0 19.2 63.3 26.0 10 14 A P T 3 S+ 0 0 44 0, 0.0 37,-2.7 0, 0.0 38,-1.4 0.515 121.6 85.3 -78.7 -1.0 16.5 62.2 23.5 11 15 A V E < -Ab 8 48A 12 -3,-2.3 -3,-2.8 35,-0.2 2,-0.5 -0.844 60.6-161.5-102.4 132.5 19.2 60.4 21.3 12 16 A V E -Ab 7 49A 2 36,-2.4 38,-2.6 -2,-0.4 2,-0.5 -0.961 6.4-157.8-108.1 131.6 20.3 56.8 22.1 13 17 A I E -Ab 6 50A 1 -7,-3.2 -7,-2.6 -2,-0.5 2,-0.5 -0.963 2.8-162.8-113.5 124.3 23.7 55.6 20.6 14 18 A L E -Ab 5 51A 0 36,-3.4 38,-2.4 -2,-0.5 2,-0.5 -0.926 6.1-168.5-105.6 123.6 24.3 51.9 20.2 15 19 A T E -Ab 4 52A 17 -11,-2.4 -11,-2.7 -2,-0.5 2,-0.4 -0.948 19.5-140.1-121.0 115.5 27.9 50.8 19.6 16 20 A M E -Ab 3 53A 4 36,-2.7 38,-3.0 -2,-0.5 2,-0.2 -0.609 28.7-165.9 -69.3 122.8 28.8 47.3 18.5 17 21 A N + 0 0 56 -15,-3.0 -14,-0.1 -2,-0.4 -1,-0.1 -0.515 52.8 94.3-131.0 59.3 31.8 46.7 20.7 18 22 A R > > + 0 0 55 -2,-0.2 5,-2.6 36,-0.2 3,-2.1 -0.506 38.8 164.1-134.6 66.5 34.0 43.8 19.8 19 23 A P G > 5 + 0 0 58 0, 0.0 3,-2.2 0, 0.0 38,-0.1 0.823 68.5 67.3 -60.8 -30.0 36.6 45.6 17.6 20 24 A H G 3 5S+ 0 0 163 1,-0.3 35,-0.0 2,-0.1 -3,-0.0 0.766 112.3 34.0 -59.9 -26.4 39.1 42.7 17.9 21 25 A R G X 5S- 0 0 35 -3,-2.1 3,-1.4 3,-0.1 -1,-0.3 -0.024 121.6-105.9-113.5 25.7 36.6 40.6 15.9 22 26 A R T < 5S- 0 0 116 -3,-2.2 38,-1.9 1,-0.2 -2,-0.1 0.830 70.4 -66.1 47.6 38.6 35.4 43.6 13.8 23 27 A N T 3 - 0 0 24 -2,-0.5 4,-2.8 -3,-0.1 5,-0.3 -0.708 44.3 -99.5-109.8 170.2 27.5 36.9 18.4 27 31 A T H > S+ 0 0 64 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 124.8 46.6 -49.0 -52.3 24.8 35.2 20.4 28 32 A N H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 111.0 51.7 -63.9 -38.9 25.2 37.7 23.3 29 33 A M H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 110.6 48.0 -66.9 -39.8 25.2 40.8 20.9 30 34 A V H X S+ 0 0 9 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.934 112.6 49.4 -65.5 -42.4 22.0 39.6 19.2 31 35 A S H X S+ 0 0 45 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.917 112.1 48.5 -58.9 -43.1 20.5 39.1 22.7 32 36 A Q H X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.830 109.1 52.8 -70.5 -34.3 21.6 42.6 23.7 33 37 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.916 106.3 54.5 -58.4 -46.3 20.2 44.1 20.5 34 38 A A H X S+ 0 0 12 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.934 111.6 43.0 -58.5 -47.7 16.8 42.5 21.3 35 39 A A H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.870 112.5 53.9 -64.3 -42.1 16.7 44.1 24.8 36 40 A A H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.924 107.8 49.5 -57.6 -45.9 17.9 47.5 23.4 37 41 A W H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.931 109.8 52.1 -61.8 -43.7 15.2 47.6 20.8 38 42 A D H X S+ 0 0 91 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.925 112.2 46.0 -55.8 -46.0 12.6 46.8 23.5 39 43 A E H X S+ 0 0 96 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 111.1 51.6 -63.6 -44.9 13.9 49.7 25.7 40 44 A I H < S+ 0 0 2 -4,-2.7 6,-0.2 1,-0.2 -2,-0.2 0.902 111.4 47.0 -61.4 -43.2 14.0 52.1 22.8 41 45 A D H < S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.6 44.8 -65.6 -35.5 10.4 51.4 21.8 42 46 A H H < S+ 0 0 155 -4,-1.7 2,-0.9 -5,-0.2 -2,-0.2 0.761 93.6 84.4 -82.0 -28.3 9.2 51.7 25.4 43 47 A D >< - 0 0 47 -4,-2.3 3,-1.9 1,-0.2 -1,-0.1 -0.670 56.6-167.6 -88.0 105.7 11.1 54.9 26.4 44 48 A D T 3 S+ 0 0 132 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.760 85.4 66.3 -62.0 -23.4 9.0 57.9 25.4 45 49 A G T 3 S+ 0 0 37 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.584 83.5 85.5 -74.1 -10.3 12.1 60.1 26.0 46 50 A I < + 0 0 2 -3,-1.9 -35,-0.2 -6,-0.2 3,-0.1 -0.847 45.8 166.2 -96.6 117.8 14.0 58.5 23.2 47 51 A R + 0 0 62 -37,-2.7 2,-0.3 -2,-0.6 -36,-0.2 0.558 65.1 16.1-107.0 -16.6 13.2 60.2 19.8 48 52 A A E -b 11 0A 0 -38,-1.4 -36,-2.4 34,-0.1 2,-0.4 -0.977 59.8-152.0-155.8 150.1 16.1 58.7 17.7 49 53 A A E -bc 12 84A 0 34,-2.6 36,-3.0 -2,-0.3 2,-0.4 -0.964 6.0-159.8-122.6 142.8 18.6 55.9 17.7 50 54 A I E -bc 13 85A 0 -38,-2.6 -36,-3.4 -2,-0.4 2,-0.4 -0.961 5.4-159.3-119.4 137.8 22.0 55.7 16.1 51 55 A L E +bc 14 86A 2 34,-3.0 36,-3.1 -2,-0.4 2,-0.3 -0.969 25.0 146.5-118.4 131.4 23.8 52.4 15.4 52 56 A T E -bc 15 87A 6 -38,-2.4 -36,-2.7 -2,-0.4 2,-0.3 -0.940 36.6-115.0-153.3 172.3 27.6 52.3 14.9 53 57 A G E -b 16 0A 7 34,-0.5 -36,-0.2 -2,-0.3 2,-0.2 -0.879 23.2-119.3-117.5 148.4 30.6 50.1 15.4 54 58 A A S > S- 0 0 19 -38,-3.0 3,-0.5 -2,-0.3 -36,-0.2 -0.509 75.0 -0.6 -76.5 149.1 33.8 50.5 17.6 55 59 A G T 3 S- 0 0 57 1,-0.2 -2,-0.1 -2,-0.2 -35,-0.0 -0.318 119.7 -25.7 74.9-148.2 37.2 50.5 15.9 56 60 A S T 3 S+ 0 0 103 -37,-0.1 35,-0.3 -2,-0.1 2,-0.2 0.830 121.5 55.4 -80.9 -27.2 38.0 50.1 12.2 57 61 A A < - 0 0 2 -3,-0.5 35,-0.1 33,-0.2 32,-0.1 -0.660 59.6-152.2-106.3 157.0 34.8 48.2 11.2 58 62 A Y S S- 0 0 1 33,-1.6 2,-0.2 -2,-0.2 34,-0.2 0.914 80.9 -35.9 -81.5 -64.8 31.1 48.7 11.6 59 63 A C E -f 92 0B 0 32,-2.3 34,-2.2 31,-0.1 2,-0.5 -0.817 59.9-179.6-169.0 119.5 30.1 45.1 11.6 60 64 A V E -f 93 0B 23 -38,-1.9 34,-0.2 -2,-0.2 -36,-0.1 -0.969 50.3 -36.8-130.0 112.2 31.5 42.1 9.8 61 65 A G 0 0 20 32,-1.6 -36,-2.3 -2,-0.5 35,-0.1 -0.191 360.0 360.0 82.7-165.6 30.2 38.5 10.1 62 66 A G 0 0 97 -38,-0.3 -35,-0.1 33,-0.1 -1,-0.1 0.071 360.0 360.0 162.7 360.0 28.7 36.4 12.9 63 ! 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 64 81 A P 0 0 165 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.5 21.1 29.0 23.1 65 82 A L - 0 0 42 2,-0.0 -37,-0.0 3,-0.0 -38,-0.0 -0.853 360.0-116.1-106.1 142.4 18.7 31.8 22.2 66 83 A D >> - 0 0 103 -2,-0.4 4,-1.7 1,-0.1 3,-1.4 -0.466 31.3-117.9 -64.5 142.4 15.0 31.5 21.8 67 84 A P H 3> S+ 0 0 105 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 114.8 60.3 -59.2 -27.6 14.0 32.2 18.1 68 85 A A H 3> S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.804 103.0 51.2 -66.4 -30.0 12.0 35.2 19.3 69 86 A T H <> S+ 0 0 39 -3,-1.4 4,-3.2 2,-0.2 5,-0.2 0.943 113.1 44.7 -68.6 -48.0 15.2 36.8 20.7 70 87 A I H X S+ 0 0 57 -4,-1.7 4,-2.4 1,-0.2 6,-0.3 0.914 112.6 52.1 -59.1 -47.6 17.1 36.3 17.4 71 88 A G H <>S+ 0 0 6 -4,-2.7 6,-2.0 -5,-0.2 5,-1.9 0.853 116.8 38.0 -62.0 -38.5 14.1 37.5 15.4 72 89 A K H ><5S+ 0 0 44 -4,-1.6 3,-1.7 3,-0.2 -2,-0.2 0.931 114.7 53.7 -76.5 -48.9 13.8 40.8 17.4 73 90 A G H 3<5S+ 0 0 0 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.873 113.4 41.9 -52.6 -46.7 17.6 41.3 17.9 74 91 A L T 3<5S- 0 0 28 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.389 110.9-120.6 -78.7 -1.4 18.3 41.1 14.1 75 92 A L T < 5S+ 0 0 2 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.864 76.7 128.9 54.8 36.5 15.2 43.2 13.3 76 93 A L S -fg 60 115B 29 -34,-2.2 -32,-1.6 -2,-0.4 3,-1.5 -0.895 48.1 -25.7-124.4 146.3 29.4 42.7 5.8 94 111 A G T >> S+ 0 0 2 21,-2.0 4,-2.4 -2,-0.3 3,-1.1 -0.306 131.3 16.7 60.1-126.5 27.0 39.8 6.2 95 112 A G H 3> S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.819 129.2 54.2 -47.5 -39.0 24.8 40.1 9.4 96 113 A G H <> S+ 0 0 2 -3,-1.5 4,-1.3 2,-0.2 -1,-0.3 0.868 110.0 45.1 -64.6 -39.4 25.7 43.8 9.6 97 114 A C H <> S+ 0 0 0 -3,-1.1 4,-0.7 18,-0.3 -2,-0.2 0.780 110.8 55.8 -75.4 -28.1 24.6 44.5 6.1 98 115 A E H >< S+ 0 0 13 -4,-2.4 3,-0.8 2,-0.2 4,-0.2 0.942 110.3 43.8 -63.8 -50.2 21.4 42.4 6.7 99 116 A M H >< S+ 0 0 5 -4,-2.4 3,-2.1 1,-0.2 4,-0.4 0.830 101.2 71.5 -64.4 -32.1 20.5 44.6 9.8 100 117 A L H >< S+ 0 0 0 -4,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.825 87.0 64.4 -50.6 -36.4 21.4 47.7 7.7 101 118 A Q T << S+ 0 0 0 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.656 100.3 51.9 -68.3 -13.0 18.2 47.1 5.6 102 119 A Q T < S+ 0 0 11 -3,-2.1 -1,-0.3 -4,-0.2 -22,-0.2 0.441 89.3 95.9-101.2 -2.4 16.1 47.8 8.7 103 120 A T < - 0 0 0 -3,-1.5 -18,-0.2 -4,-0.4 3,-0.1 -0.597 65.5-150.1 -78.7 152.5 17.9 51.0 9.5 104 121 A D S S+ 0 0 0 -20,-2.2 2,-0.4 1,-0.3 286,-0.3 0.884 76.3 30.4 -90.1 -46.3 16.0 54.1 8.2 105 122 A I E S-d 85 0A 0 -21,-1.8 -19,-3.2 284,-0.1 2,-0.4 -0.953 72.2-160.2-127.4 135.8 18.8 56.7 7.5 106 123 A R E -d 86 0A 0 -2,-0.4 58,-2.0 -21,-0.2 59,-1.3 -0.962 12.0-175.5-137.0 115.4 22.3 55.6 6.5 107 124 A V E -de 87 165A 0 -21,-3.1 -19,-2.9 -2,-0.4 2,-0.5 -0.938 14.7-158.6-109.9 122.1 25.6 57.5 6.6 108 125 A S E -de 88 166A 0 57,-3.0 59,-2.3 -2,-0.5 -19,-0.2 -0.894 16.5-129.2-108.0 127.5 28.7 55.8 5.1 109 126 A D E > - e 0 167A 10 -21,-2.9 3,-1.8 -2,-0.5 60,-0.1 -0.364 34.5-113.0 -51.8 143.9 32.3 56.6 5.9 110 127 A E T 3 S+ 0 0 87 57,-1.7 44,-0.5 1,-0.3 45,-0.3 0.776 118.1 46.7 -55.2 -29.6 34.1 57.1 2.6 111 128 A H T 3 S+ 0 0 136 -22,-0.1 -1,-0.3 43,-0.1 -20,-0.1 0.375 86.3 114.7 -99.3 6.1 36.1 53.9 3.3 112 129 A A < - 0 0 1 -3,-1.8 42,-0.7 -24,-0.2 2,-0.3 -0.376 48.4-158.1 -69.7 152.6 33.2 51.7 4.3 113 130 A T E - H 0 153B 48 40,-0.2 -21,-2.4 -23,-0.1 2,-0.4 -0.920 1.6-150.6-130.6 157.2 32.3 48.7 2.2 114 131 A F E +gH 92 152B 0 38,-2.3 38,-2.7 -2,-0.3 2,-0.3 -0.992 28.5 138.9-136.4 123.6 29.0 46.8 2.0 115 132 A G E -g 93 0B 1 -23,-1.9 -21,-2.0 -2,-0.4 -18,-0.3 -0.997 45.0-142.7-163.4 162.9 28.4 43.2 1.2 116 133 A L > + 0 0 1 29,-0.4 3,-0.5 -2,-0.3 4,-0.1 -0.762 25.6 169.3-129.0 85.3 26.7 39.9 1.7 117 134 A P G > + 0 0 11 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.419 39.9 115.8 -82.7 6.9 29.4 37.3 1.2 118 135 A E G > > + 0 0 28 1,-0.3 5,-2.4 2,-0.2 3,-2.2 0.806 69.4 54.5 -47.3 -48.9 27.3 34.4 2.5 119 136 A V G X 5S+ 0 0 0 -3,-0.5 557,-2.7 27,-0.4 3,-1.4 0.784 97.8 65.6 -62.2 -25.3 27.0 32.4 -0.7 120 137 A Q G < 5S+ 0 0 32 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.693 108.0 41.5 -66.1 -17.8 30.9 32.3 -0.9 121 138 A R G < 5S- 0 0 57 -3,-2.2 598,-0.4 -4,-0.5 -1,-0.3 0.096 126.7 -98.6-115.8 18.5 30.7 30.2 2.3 122 139 A G T < 5S+ 0 0 1 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.691 91.7 108.1 75.2 18.3 27.8 28.1 1.2 123 140 A L < - 0 0 39 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.667 59.4-134.9-112.8 173.1 25.3 30.2 3.2 124 141 A V - 0 0 8 -2,-0.2 2,-2.0 -6,-0.1 556,-0.1 -0.944 27.2-111.8-123.9 154.4 22.5 32.6 2.2 125 142 A P > + 0 0 0 0, 0.0 5,-0.9 0, 0.0 4,-0.4 -0.569 52.1 160.2 -82.3 83.0 21.8 36.0 3.7 126 143 A G T 5 + 0 0 19 -2,-2.0 2,-0.1 1,-0.2 580,-0.1 0.110 41.3 97.7 -99.5 21.5 18.5 34.8 5.2 127 144 A A T 5S- 0 0 13 575,-0.0 -1,-0.2 -3,-0.0 572,-0.0 -0.301 120.1 -65.3 -96.7 46.8 18.0 37.6 7.8 128 145 A G T >5S+ 0 0 0 571,-0.1 4,-2.8 -2,-0.1 5,-0.3 0.205 109.5 111.2 98.5 -16.4 15.7 39.5 5.5 129 146 A S H >5S+ 0 0 0 -4,-0.4 4,-2.1 1,-0.2 5,-0.4 0.858 76.6 51.6 -63.7 -37.0 18.1 40.4 2.7 130 147 A M H 4X S+ 0 0 3 -4,-2.8 3,-1.8 2,-0.1 4,-1.0 0.803 98.2 73.2 -97.6 -37.0 14.3 43.3 1.3 133 150 A L H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 3,-1.3 0.908 99.7 49.2 -56.8 -49.3 17.4 44.3 -0.6 134 151 A K H 34 S+ 0 0 4 -5,-0.4 -1,-0.3 -4,-0.3 5,-0.3 0.623 108.5 56.3 -61.9 -17.1 15.8 44.3 -4.1 135 152 A R H <4 S+ 0 0 21 -3,-1.8 -1,-0.3 -4,-0.1 250,-0.2 0.692 114.3 38.1 -82.1 -23.6 13.0 46.5 -2.6 136 153 A Q H << S+ 0 0 9 -3,-1.3 249,-0.4 -4,-1.0 250,-0.3 0.662 124.2 25.4-104.5 -25.1 15.5 49.1 -1.4 137 154 A I S < S- 0 0 8 -4,-2.0 24,-0.1 -5,-0.2 -1,-0.1 -0.907 105.4 -62.0-133.3 165.1 18.0 49.2 -4.2 138 155 A P >> - 0 0 16 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.214 50.0-124.3 -51.8 129.8 17.9 48.4 -8.0 139 156 A Y H 3> S+ 0 0 10 486,-0.5 4,-2.9 -5,-0.3 5,-0.2 0.821 105.8 54.8 -41.2 -49.1 17.1 44.8 -8.5 140 157 A T H 3> S+ 0 0 0 510,-0.5 4,-2.2 485,-0.4 -1,-0.2 0.860 110.9 45.0 -65.4 -33.5 20.1 43.9 -10.6 141 158 A K H <> S+ 0 0 8 -3,-1.0 4,-2.6 509,-0.3 -1,-0.2 0.863 111.8 51.7 -77.1 -35.3 22.5 45.2 -8.0 142 159 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.925 113.0 47.2 -62.1 -42.9 20.7 43.4 -5.2 143 160 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 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4,-2.6 -40,-0.2 5,-0.2 -0.282 36.0-101.2 -70.8 169.8 32.5 50.6 -2.1 154 171 A A H > S+ 0 0 1 -42,-0.7 4,-2.4 -44,-0.5 5,-0.2 0.910 123.8 50.2 -62.5 -41.0 30.9 53.5 -0.3 155 172 A F H > S+ 0 0 112 -45,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.838 111.9 47.3 -71.6 -32.3 30.5 55.5 -3.5 156 173 A E H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.886 110.6 51.7 -70.0 -43.0 28.9 52.5 -5.3 157 174 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.9 0.900 112.9 46.6 -60.8 -38.1 26.5 51.9 -2.3 158 175 A Y H ><5S+ 0 0 44 -4,-2.4 3,-1.5 3,-0.2 -2,-0.2 0.920 108.4 56.0 -67.1 -43.7 25.6 55.5 -2.5 159 176 A H H 3<5S+ 0 0 37 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.916 112.4 41.6 -52.2 -46.0 25.2 55.2 -6.3 160 177 A F T 3<5S- 0 0 5 -4,-2.2 -1,-0.3 -23,-0.1 -2,-0.2 0.333 116.3-112.5 -90.4 8.6 22.6 52.4 -5.9 161 178 A G T < 5S+ 0 0 1 -3,-1.5 225,-0.5 -4,-0.2 226,-0.2 0.663 78.3 129.0 72.1 17.4 20.8 54.1 -2.9 162 179 A L S S- 0 0 87 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.227 70.7 -73.8 -52.0 143.9 34.8 62.3 5.0 169 186 A A T 3 S+ 0 0 58 1,-0.3 -80,-0.1 -60,-0.1 -60,-0.0 -0.058 117.7 10.7 -38.5 128.6 36.8 59.5 6.8 170 187 A G T 3 S+ 0 0 64 -81,-0.2 -1,-0.3 -3,-0.1 4,-0.2 0.435 104.1 95.3 79.5 2.6 36.0 59.3 10.5 171 188 A T <> + 0 0 42 -3,-2.1 4,-2.4 1,-0.1 5,-0.2 0.276 44.4 102.2-110.1 13.4 32.9 61.6 10.4 172 189 A A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -84,-0.1 0.887 86.1 46.1 -67.5 -38.4 29.9 59.2 10.0 173 190 A L H > S+ 0 0 48 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.904 110.5 55.0 -70.5 -40.1 28.9 59.4 13.7 174 191 A D H > S+ 0 0 102 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.952 112.3 42.0 -52.4 -54.3 29.2 63.1 13.6 175 192 A K H X S+ 0 0 69 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.890 112.4 55.0 -63.4 -41.4 26.8 63.3 10.6 176 193 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.923 107.6 49.2 -56.1 -46.0 24.6 60.7 12.2 177 194 A R H X S+ 0 0 84 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.894 110.0 52.3 -61.3 -40.5 24.3 62.9 15.4 178 195 A S H X S+ 0 0 73 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.929 111.6 44.9 -60.1 -46.5 23.5 65.9 13.2 179 196 A L H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.908 111.8 53.4 -63.9 -42.5 20.7 64.0 11.4 180 197 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.884 104.7 55.6 -59.5 -39.5 19.4 62.7 14.8 181 198 A D H X S+ 0 0 88 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.897 107.4 48.7 -62.0 -40.5 19.3 66.3 16.1 182 199 A R H < S+ 0 0 41 -4,-1.7 4,-0.4 2,-0.2 3,-0.2 0.913 113.0 48.0 -62.5 -42.4 17.0 67.3 13.3 183 200 A I H >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.922 107.1 55.4 -65.0 -45.3 14.8 64.3 13.9 184 201 A V H 3< S+ 0 0 24 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.760 104.5 55.3 -60.0 -26.3 14.6 65.0 17.7 185 202 A R T 3< S+ 0 0 127 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.582 96.2 87.7 -81.2 -12.5 13.4 68.5 16.9 186 203 A N S < S- 0 0 1 -3,-1.7 180,-0.2 -4,-0.4 179,-0.1 -0.407 99.4 -76.9 -84.7 165.8 10.5 67.1 14.8 187 204 A G > - 0 0 0 178,-2.4 4,-3.0 1,-0.2 5,-0.2 -0.442 38.9-153.4 -64.2 117.5 7.0 66.0 16.1 188 205 A P H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.845 94.9 47.4 -68.5 -35.2 7.5 62.6 17.8 189 206 A L H > S+ 0 0 23 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.929 115.2 48.0 -63.7 -46.1 4.0 61.4 17.3 190 207 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.908 113.5 46.4 -59.7 -44.2 4.3 62.5 13.6 191 208 A V H X S+ 0 0 6 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.938 114.4 47.8 -66.3 -45.5 7.7 60.8 13.2 192 209 A R H X S+ 0 0 75 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.950 116.2 42.0 -58.2 -53.1 6.5 57.6 14.9 193 210 A N H X S+ 0 0 21 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.834 112.1 55.6 -70.2 -30.8 3.3 57.4 12.8 194 211 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.958 110.4 45.1 -62.8 -51.9 5.1 58.4 9.6 195 212 A K H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.934 113.4 50.0 -57.5 -47.0 7.6 55.5 10.1 196 213 A E H X S+ 0 0 71 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.912 112.9 46.9 -57.3 -44.0 4.7 53.1 10.9 197 214 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.908 111.9 50.6 -65.0 -43.5 2.7 54.2 7.8 198 215 A I H X S+ 0 0 2 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.961 119.4 36.3 -59.0 -51.1 5.8 53.9 5.5 199 216 A V H >< S+ 0 0 38 -4,-2.7 3,-0.6 -5,-0.2 -2,-0.2 0.963 118.5 47.2 -70.8 -51.1 6.6 50.4 6.8 200 217 A R H 3< S+ 0 0 118 -4,-3.1 -3,-0.2 1,-0.3 -1,-0.2 0.837 108.7 53.7 -66.2 -34.7 3.1 49.0 7.2 201 218 A S H >< S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.3 0.823 83.5 159.6 -66.2 -30.1 1.8 50.2 3.8 202 219 A G T << - 0 0 10 -4,-1.0 -1,-0.1 -3,-0.6 -2,-0.1 -0.087 69.5 -43.7 47.1-137.2 4.8 48.4 2.3 203 220 A W T 3 S+ 0 0 21 489,-0.4 246,-0.4 -3,-0.1 -1,-0.2 -0.082 97.6 139.8-114.5 30.9 4.3 47.6 -1.5 204 221 A L < - 0 0 52 -3,-1.8 5,-0.1 1,-0.2 246,-0.1 -0.188 69.3 -59.2 -73.1 161.3 0.7 46.5 -1.0 205 222 A A > - 0 0 39 1,-0.1 4,-2.6 3,-0.1 3,-0.5 -0.180 56.7-123.3 -37.4 126.9 -2.3 47.2 -3.2 206 223 A E H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.832 107.8 54.9 -62.4 -35.7 -2.5 51.0 -3.3 207 224 A E H > S+ 0 0 153 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.934 114.3 41.3 -58.4 -46.2 -6.2 51.1 -2.0 208 225 A D H > S+ 0 0 102 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.920 115.2 51.7 -66.7 -43.4 -5.2 49.0 1.1 209 226 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.897 109.3 48.9 -60.8 -44.3 -1.9 50.9 1.5 210 227 A R H X S+ 0 0 47 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.816 108.0 54.3 -68.1 -32.5 -3.6 54.3 1.4 211 228 A A H X S+ 0 0 33 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.923 109.2 49.0 -65.2 -41.7 -6.3 53.1 4.0 212 229 A I H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.937 113.1 47.9 -57.8 -46.2 -3.3 52.1 6.3 213 230 A E H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.893 110.1 51.1 -61.4 -45.7 -1.8 55.6 5.7 214 231 A A H X S+ 0 0 57 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.895 108.2 52.2 -60.9 -41.6 -5.0 57.5 6.4 215 232 A R H < S+ 0 0 171 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.8 41.4 -66.2 -39.4 -5.6 55.6 9.7 216 233 A L H < S+ 0 0 29 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.747 113.2 55.3 -78.8 -24.2 -2.1 56.5 10.9 217 234 A T H >X S+ 0 0 12 -4,-1.9 4,-2.2 -5,-0.2 3,-1.1 0.911 94.3 69.0 -73.5 -40.4 -2.4 60.1 9.6 218 235 A R H 3X S+ 0 0 159 -4,-2.3 4,-1.7 1,-0.3 5,-0.2 0.869 96.9 47.9 -49.8 -54.4 -5.6 61.0 11.4 219 236 A P H 34 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.777 112.1 53.3 -62.3 -22.8 -4.3 61.1 15.0 220 237 A V H X4 S+ 0 0 0 -3,-1.1 3,-1.5 -4,-0.5 6,-0.4 0.946 107.6 49.2 -71.5 -47.7 -1.4 63.2 13.8 221 238 A I H 3< S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.793 116.2 42.8 -60.7 -31.7 -3.8 65.7 12.1 222 239 A T T 3< S+ 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.341 94.2 118.5 -97.2 7.6 -5.9 66.0 15.3 223 240 A S S <> S- 0 0 7 -3,-1.5 4,-1.4 145,-0.2 5,-0.1 -0.290 72.3-125.8 -80.0 155.7 -2.9 66.2 17.7 224 241 A A H > S+ 0 0 34 20,-2.3 4,-2.8 1,-0.2 5,-0.2 0.894 112.8 59.6 -55.1 -43.7 -1.8 68.9 20.2 225 242 A D H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.859 100.8 53.2 -57.8 -39.4 1.6 68.7 18.4 226 243 A A H > S+ 0 0 13 -6,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.915 111.0 46.4 -62.2 -45.4 0.1 69.7 15.1 227 244 A R H X S+ 0 0 168 -4,-1.4 4,-2.2 2,-0.2 3,-0.3 0.945 112.7 49.7 -60.7 -48.5 -1.5 72.7 16.6 228 245 A E H X S+ 0 0 43 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.874 108.2 55.4 -58.5 -39.0 1.8 73.6 18.4 229 246 A G H X S+ 0 0 2 -4,-2.5 4,-1.5 138,-0.3 -1,-0.2 0.862 107.8 46.9 -61.2 -39.5 3.6 73.2 15.0 230 247 A L H < S+ 0 0 65 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.881 113.3 49.6 -70.7 -39.9 1.3 75.7 13.3 231 248 A A H >X S+ 0 0 32 -4,-2.2 4,-3.1 1,-0.2 3,-1.6 0.952 112.7 46.6 -60.3 -50.2 1.7 78.2 16.2 232 249 A A H 3X>S+ 0 0 6 -4,-2.9 5,-1.9 1,-0.3 4,-0.7 0.788 112.7 49.5 -64.8 -30.0 5.5 77.9 16.1 233 250 A F H 3<5S+ 0 0 82 -4,-1.5 -1,-0.3 3,-0.2 -2,-0.2 0.061 116.6 43.4 -99.2 20.0 5.6 78.3 12.3 234 251 A K H <45S+ 0 0 82 -3,-1.6 -2,-0.2 3,-0.1 -3,-0.2 0.518 116.5 43.3-113.5 -58.3 3.4 81.4 12.6 235 252 A E H <5S- 0 0 132 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.648 109.4-124.2 -60.5 -19.0 5.1 83.0 15.6 236 253 A K T <5 + 0 0 95 -4,-0.7 2,-0.2 -5,-0.3 -3,-0.2 0.855 68.5 116.7 77.3 38.6 8.5 82.1 14.0 237 254 A R S -I 257 0C 94 3,-3.1 3,-1.8 -2,-0.5 -2,-0.0 -0.798 63.8 -72.9-121.0 84.7 32.5 26.1 -20.8 255 13 B G T 3 S- 0 0 47 -2,-0.4 -1,-0.2 1,-0.3 36,-0.0 -0.451 117.3 -5.7 61.5-128.5 32.7 23.9 -17.7 256 14 B P T 3 S+ 0 0 43 0, 0.0 37,-2.7 0, 0.0 38,-1.4 0.498 125.1 81.0 -76.0 -1.2 30.0 25.1 -15.2 257 15 B V E < -Ij 254 294C 16 -3,-1.8 -3,-3.1 35,-0.2 2,-0.4 -0.842 59.9-161.5-106.8 138.4 29.1 28.1 -17.4 258 16 B V E -Ij 253 295C 1 36,-1.8 38,-2.7 -2,-0.4 2,-0.5 -0.974 7.8-155.6-113.6 136.5 26.8 28.1 -20.5 259 17 B I E -Ij 252 296C 2 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.5 -0.973 4.4-162.2-114.1 124.2 26.9 31.1 -22.9 260 18 B L E -Ij 251 297C 0 36,-3.5 38,-2.4 -2,-0.5 2,-0.5 -0.909 5.3-166.7-106.1 127.8 23.9 31.8 -25.0 261 19 B T E -Ij 250 298C 20 -11,-2.3 -11,-2.9 -2,-0.5 2,-0.4 -0.952 17.7-140.2-124.2 113.3 24.4 34.0 -28.1 262 20 B M E -Ij 249 299C 2 36,-2.7 38,-2.9 -2,-0.5 2,-0.4 -0.577 28.6-169.3 -67.9 123.4 21.5 35.5 -29.9 263 21 B N + 0 0 28 -15,-3.3 -1,-0.1 -2,-0.4 -14,-0.1 -0.713 42.0 110.9-133.2 76.2 22.6 35.1 -33.6 264 22 B R > > + 0 0 28 -2,-0.4 5,-2.6 36,-0.1 3,-2.2 -0.566 30.9 173.7-139.1 77.2 20.7 36.8 -36.4 265 23 B P G > 5S+ 0 0 86 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.836 74.6 63.9 -58.6 -36.1 23.1 39.5 -37.6 266 24 B H G 3 5S+ 0 0 152 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-0.378 38.7-150.4 -63.0 118.0 27.8 27.3 -3.1 677 205 C P H > S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.835 96.2 44.0 -61.3 -38.4 25.4 25.9 -5.7 678 206 C L H > S+ 0 0 36 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.894 115.9 49.6 -68.4 -43.6 22.6 25.1 -3.3 679 207 C A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.948 113.4 45.4 -60.3 -50.1 23.1 28.5 -1.6 680 208 C V H X S+ 0 0 5 -4,-3.3 4,-2.5 2,-0.2 5,-0.2 0.928 115.3 46.7 -59.5 -49.9 23.1 30.3 -5.0 681 209 C R H X S+ 0 0 82 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.920 116.3 43.8 -57.1 -50.4 20.0 28.5 -6.3 682 210 C N H X S+ 0 0 16 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.839 112.1 54.2 -68.5 -31.8 18.0 28.9 -3.1 683 211 C A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.951 110.0 45.9 -67.3 -49.0 19.1 32.6 -2.8 684 212 C K H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.908 114.0 49.0 -58.6 -46.1 17.8 33.4 -6.3 685 213 C E H X S+ 0 0 66 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.911 112.6 47.7 -59.7 -42.7 14.6 31.5 -5.7 686 214 C A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.888 112.0 49.8 -68.1 -40.7 14.1 33.3 -2.3 687 215 C I H X S+ 0 0 1 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.956 118.3 38.6 -60.2 -50.0 14.8 36.7 -3.9 688 216 C V H >< S+ 0 0 32 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.958 118.4 45.0 -71.1 -49.4 12.4 36.2 -6.7 689 217 C R H 3< S+ 0 0 155 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.2 0.804 106.3 58.2 -70.1 -31.9 9.5 34.4 -4.9 690 218 C S H >< S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.3 -1,-0.3 0.818 83.4 162.6 -65.1 -27.7 9.4 36.7 -1.9 691 219 C G T << - 0 0 11 -4,-0.8 -1,-0.1 -3,-0.7 -2,-0.1 -0.057 66.3 -47.9 47.6-141.9 8.8 39.5 -4.4 692 220 C W T 3 S+ 0 0 20 -243,-0.4 -489,-0.4 -489,-0.1 -1,-0.2 -0.022 96.6 140.7-111.4 24.4 7.3 42.7 -2.9 693 221 C L < - 0 0 47 -3,-1.5 5,-0.1 1,-0.2 -489,-0.1 -0.165 69.4 -60.6 -67.4 159.0 4.7 40.7 -1.0 694 222 C A >> - 0 0 39 1,-0.1 4,-2.4 3,-0.1 3,-0.7 -0.138 57.3-122.1 -34.9 127.3 3.5 41.4 2.6 695 223 C E H 3> S+ 0 0 53 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.812 107.9 58.6 -59.0 -35.7 6.7 41.0 4.6 696 224 C E H 3> S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.927 113.1 38.6 -56.0 -48.8 5.3 38.3 6.9 697 225 C D H <> S+ 0 0 105 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.877 115.3 54.0 -68.4 -42.5 4.6 36.0 3.9 698 226 C A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.884 108.2 49.0 -61.3 -42.0 7.8 37.1 2.1 699 227 C R H X S+ 0 0 58 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.832 106.8 55.8 -69.6 -30.8 9.9 36.2 5.1 700 228 C A H X S+ 0 0 37 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.912 108.3 48.4 -66.3 -40.8 8.2 32.8 5.4 701 229 C I H X S+ 0 0 31 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.935 113.7 47.4 -60.4 -48.0 9.2 32.1 1.8 702 230 C E H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.903 111.5 50.4 -58.7 -46.8 12.8 33.2 2.6 703 231 C A H X S+ 0 0 58 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.927 107.1 54.4 -63.4 -44.1 12.9 31.1 5.8 704 232 C R H < S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.898 114.5 40.1 -52.2 -43.7 11.7 28.0 3.9 705 233 C L H < S+ 0 0 23 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.764 114.8 53.2 -83.0 -23.3 14.5 28.3 1.4 706 234 C T H >X S+ 0 0 15 -4,-2.0 4,-2.0 -5,-0.2 3,-0.8 0.878 94.7 68.4 -76.2 -40.1 17.2 29.3 3.9 707 235 C R H 3X S+ 0 0 56 -4,-2.4 4,-1.4 1,-0.3 -2,-0.1 0.873 99.2 46.9 -54.2 -49.5 16.7 26.4 6.4 708 236 C P H 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.764 111.0 54.8 -63.1 -28.5 18.1 23.6 4.1 709 237 C V H X4 S+ 0 0 0 -3,-0.8 3,-1.6 -4,-0.5 6,-0.3 0.918 104.3 53.6 -66.9 -46.3 21.1 25.8 3.2 710 238 C I H 3< S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.858 114.0 41.1 -58.7 -37.8 22.0 26.3 7.0 711 239 C T T 3< S+ 0 0 106 -4,-1.4 -1,-0.3 4,-0.1 -2,-0.2 0.323 94.6 119.7 -93.4 8.5 22.1 22.6 7.6 712 240 C S S <> S- 0 0 7 -3,-1.6 4,-1.4 -590,-0.2 3,-0.2 -0.291 71.8-124.8 -81.0 157.4 23.9 21.6 4.4 713 241 C A H > S+ 0 0 35 20,-2.5 4,-2.4 1,-0.2 5,-0.2 0.922 112.8 58.1 -55.9 -46.7 27.2 19.9 3.8 714 242 C D H > S+ 0 0 4 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.815 100.9 55.5 -58.7 -33.4 28.3 22.9 1.7 715 243 C A H > S+ 0 0 6 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.937 108.5 47.1 -66.8 -43.4 27.7 25.3 4.6 716 244 C R H X S+ 0 0 170 -4,-1.4 4,-2.3 -3,-0.2 -2,-0.2 0.962 118.3 42.6 -57.8 -50.2 30.1 23.3 6.8 717 245 C E H X S+ 0 0 44 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.931 111.1 54.0 -63.2 -50.2 32.7 23.2 4.0 718 246 C G H X S+ 0 0 1 -4,-3.3 4,-1.8 1,-0.2 -596,-0.2 0.912 113.6 42.6 -50.4 -46.4 32.2 26.8 3.0 719 247 C L H X S+ 0 0 81 -4,-2.2 4,-1.9 -598,-0.4 -1,-0.2 0.835 115.3 49.7 -75.7 -31.4 32.8 28.0 6.5 720 248 C A H X S+ 0 0 31 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.910 110.2 50.2 -65.8 -46.1 35.7 25.6 7.0 721 249 C A H X>S+ 0 0 2 -4,-3.6 5,-2.2 2,-0.2 4,-1.1 0.910 110.6 49.8 -61.8 -42.9 37.4 26.6 3.8 722 250 C F H ><5S+ 0 0 133 -4,-1.8 3,-0.6 -5,-0.3 -1,-0.2 0.945 115.1 43.6 -59.2 -49.4 37.2 30.3 4.7 723 251 C K H 3<5S+ 0 0 85 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.813 116.1 47.9 -64.3 -32.4 38.7 29.6 8.1 724 252 C E H 3<5S- 0 0 120 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.496 110.8-119.1 -93.5 -6.9 41.4 27.3 6.7 725 253 C K T <<5S+ 0 0 94 -4,-1.1 2,-0.3 -3,-0.6 -3,-0.2 0.892 73.0 108.8 77.0 46.2 42.4 29.7 3.9 726 254 C R S