==== 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 HYDROLASE 30-NOV-07 3BIG . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATASE CLASS II GLPX; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.V.LUNIN,T.SKARINA,G.BROWN,A.F.YAKUNIN,A.M.EDWARDS,A.SAVCHE . 321 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 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 . 1 0.3 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 . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 0 0 0 1 0 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 1 0 4 0 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 . 0 0 0 0 1 0 1 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 1 A M 0 0 169 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -3.2 12.7 6.2 42.0 2 2 A R > + 0 0 33 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.694 360.0 72.5 -65.6 -22.2 14.4 5.5 38.8 3 3 A R G > S+ 0 0 169 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.897 89.0 58.8 -54.3 -38.9 17.3 6.1 41.2 4 4 A E G 3 S+ 0 0 153 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.672 99.6 57.5 -63.9 -21.7 16.4 2.7 42.5 5 5 A L G <> S+ 0 0 27 -3,-1.4 4,-2.5 -4,-0.2 -1,-0.3 0.508 76.4 94.3 -86.0 -5.2 17.0 1.2 39.1 6 6 A A H <> S+ 0 0 13 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.2 0.924 88.6 47.3 -57.4 -44.1 20.6 2.4 38.8 7 7 A I H > S+ 0 0 94 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.3 0.888 108.9 55.0 -60.7 -40.8 21.8 -1.0 40.2 8 8 A E H > S+ 0 0 60 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.901 108.1 49.1 -58.8 -44.4 19.5 -2.9 37.8 9 9 A F H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.868 106.3 54.9 -66.8 -36.2 21.0 -1.0 34.9 10 10 A S H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.868 105.5 54.8 -64.9 -32.3 24.6 -1.8 36.0 11 11 A R H X S+ 0 0 112 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.835 103.2 57.0 -68.0 -30.6 23.6 -5.5 36.0 12 12 A V H X S+ 0 0 1 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.943 111.1 40.2 -64.2 -48.7 22.5 -5.1 32.4 13 13 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.870 112.4 56.9 -70.4 -31.6 26.0 -3.9 31.3 14 14 A E H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.927 110.2 45.9 -60.3 -45.6 27.7 -6.5 33.6 15 15 A S H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.929 113.1 47.3 -64.6 -45.5 25.8 -9.3 31.7 16 16 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.912 113.5 49.5 -61.4 -45.0 26.5 -7.9 28.3 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.928 111.0 48.4 -61.9 -48.8 30.3 -7.5 29.1 18 18 A L H X S+ 0 0 24 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.893 112.2 50.5 -60.9 -36.7 30.6 -11.1 30.5 19 19 A A H < S+ 0 0 16 -4,-2.3 4,-0.5 -5,-0.2 3,-0.3 0.942 112.3 44.4 -67.6 -44.5 28.8 -12.4 27.4 20 20 A G H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.885 107.2 62.0 -66.9 -33.5 31.1 -10.6 25.0 21 21 A Y H >< S+ 0 0 64 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.845 91.1 66.7 -62.3 -34.1 34.1 -11.6 27.2 22 22 A K T 3< S+ 0 0 136 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.792 105.8 43.5 -53.2 -29.6 33.3 -15.3 26.4 23 23 A W T X S+ 0 0 90 -3,-1.6 3,-1.8 -4,-0.5 5,-0.4 0.245 81.7 138.1-102.4 13.3 34.2 -14.5 22.8 24 24 A L T < S+ 0 0 48 -3,-2.0 70,-0.2 1,-0.3 69,-0.1 -0.386 79.1 2.4 -67.1 129.9 37.4 -12.5 23.5 25 25 A G T 3 S+ 0 0 51 68,-2.7 -1,-0.3 67,-0.2 69,-0.2 0.632 97.3 116.2 72.8 16.0 40.2 -13.4 21.1 26 26 A R S < S- 0 0 175 -3,-1.8 69,-0.1 67,-0.3 68,-0.1 0.412 77.5-125.9-103.0 2.0 38.0 -15.8 19.2 27 27 A G S S+ 0 0 64 67,-2.2 2,-0.4 66,-0.2 67,-0.1 0.710 74.2 112.7 70.9 25.1 38.1 -13.9 15.9 28 28 A D > + 0 0 60 -5,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.849 35.6 176.2-136.4 94.1 34.4 -13.7 15.4 29 29 A K H > S+ 0 0 109 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.876 82.6 53.7 -62.8 -41.1 32.9 -10.1 15.7 30 30 A N H > S+ 0 0 126 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.905 110.2 43.4 -66.6 -44.3 29.4 -11.3 14.9 31 31 A T H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 114.4 51.1 -69.1 -39.4 29.1 -14.0 17.5 32 32 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.946 113.7 45.4 -59.9 -52.9 30.7 -11.7 20.1 33 33 A D H X S+ 0 0 35 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.932 111.8 52.2 -52.7 -50.6 28.1 -9.0 19.2 34 34 A G H X S+ 0 0 36 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.861 109.1 49.6 -57.4 -41.1 25.3 -11.5 19.2 35 35 A A H X S+ 0 0 23 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.921 114.8 42.5 -64.6 -46.4 26.2 -12.8 22.7 36 36 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.883 115.2 50.7 -70.7 -37.0 26.4 -9.3 24.2 37 37 A V H X S+ 0 0 8 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.961 112.9 46.1 -63.5 -52.4 23.2 -8.1 22.4 38 38 A N H X S+ 0 0 81 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.923 114.2 47.3 -54.2 -50.0 21.3 -11.2 23.6 39 39 A A H X S+ 0 0 14 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.904 113.2 48.6 -61.3 -46.4 22.5 -10.8 27.1 40 40 A M H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.914 113.9 45.9 -59.6 -44.4 21.7 -7.0 27.2 41 41 A R H X S+ 0 0 75 -4,-2.6 4,-2.3 2,-0.2 32,-0.3 0.931 112.1 50.9 -67.4 -45.4 18.1 -7.6 25.8 42 42 A I H < S+ 0 0 66 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.912 115.0 43.3 -58.3 -45.8 17.4 -10.5 28.2 43 43 A M H >< S+ 0 0 24 -4,-2.2 3,-1.7 -5,-0.2 -2,-0.2 0.926 111.4 52.2 -71.1 -43.1 18.5 -8.4 31.2 44 44 A L H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 30,-0.3 0.889 103.4 61.2 -59.0 -35.6 16.7 -5.2 30.1 45 45 A N T 3< S+ 0 0 54 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.548 101.4 52.6 -71.3 -7.6 13.5 -7.3 29.7 46 46 A Q T < S+ 0 0 121 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.3 0.279 91.0 96.1 -99.7 2.2 13.6 -8.1 33.4 47 47 A V S < S- 0 0 3 -3,-2.0 27,-2.9 -4,-0.2 2,-2.0 -0.790 84.1-114.7-100.2 142.8 13.9 -4.5 34.5 48 48 A N S S+ 0 0 79 -2,-0.4 30,-0.4 25,-0.2 2,-0.3 -0.497 76.3 105.3 -80.2 71.0 10.8 -2.5 35.5 49 49 A I - 0 0 0 -2,-2.0 26,-2.5 -5,-0.2 2,-0.7 -0.951 69.5-132.7-135.2 159.5 10.7 0.1 32.8 50 50 A D E -a 79 0A 51 28,-3.0 30,-1.7 -2,-0.3 2,-0.2 -0.755 48.2-177.8-108.1 80.3 8.7 0.6 29.7 51 51 A G E -aB 80 72A 0 21,-2.3 21,-2.5 -2,-0.7 2,-0.4 -0.547 24.2-162.4 -87.7 143.9 11.7 1.2 27.5 52 52 A T E -aB 81 71A 45 28,-2.2 30,-2.6 19,-0.2 2,-0.5 -0.996 26.5-124.1-116.7 131.0 12.0 2.1 23.8 53 53 A I E +a 82 0A 1 17,-2.5 16,-3.1 -2,-0.4 30,-0.2 -0.594 39.0 163.1 -71.6 117.8 15.3 1.6 22.0 54 54 A V E S+ 0 0 12 28,-3.5 2,-0.4 -2,-0.5 29,-0.2 0.667 74.1 31.0-103.3 -35.1 16.2 5.0 20.5 55 55 A I E S+a 83 0A 8 27,-1.7 29,-2.6 12,-0.1 -1,-0.4 -0.998 90.4 117.7-126.4 124.6 19.9 4.2 19.9 56 56 A G S S- 0 0 24 -2,-0.4 11,-0.2 27,-0.2 10,-0.1 -0.749 71.4 -46.1-159.8-154.8 20.7 0.5 19.0 57 57 A E S S- 0 0 67 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.654 94.7 -78.1 -75.7 -21.8 21.9 -2.1 16.7 58 58 A G B -h 67 0B 19 8,-0.6 10,-2.2 5,-0.1 -1,-0.2 -0.903 66.5 -38.6 154.3-170.5 20.1 -0.9 13.6 59 59 A E >> - 0 0 99 -2,-0.3 4,-2.3 8,-0.2 3,-1.6 -0.464 66.1-101.3 -75.5 159.2 16.6 -0.9 12.0 60 60 A I T 34 S+ 0 0 105 8,-0.4 -1,-0.1 1,-0.3 7,-0.0 0.756 118.8 64.8 -56.8 -29.0 14.6 -4.1 12.3 61 61 A A T 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.0 6,-0.0 0.864 119.2 22.9 -61.7 -36.9 15.4 -5.1 8.7 62 62 A E T <4 S+ 0 0 126 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.625 127.2 48.7-106.3 -19.0 19.1 -5.4 9.6 63 63 A A < - 0 0 7 -4,-2.3 -1,-0.2 1,-0.1 -5,-0.1 -0.861 54.7-174.4-130.4 99.3 19.0 -6.0 13.4 64 64 A P S S+ 0 0 98 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.751 77.7 40.8 -64.4 -24.0 16.5 -8.6 14.7 65 65 A M S S+ 0 0 57 1,-0.2 -8,-0.2 5,-0.0 -27,-0.1 -0.983 119.8 11.2-130.1 144.4 17.3 -7.6 18.4 66 66 A L S S+ 0 0 0 -2,-0.4 -9,-2.4 1,-0.2 -8,-0.6 0.874 85.8 164.3 58.3 41.4 17.8 -4.2 20.0 67 67 A Y B > -h 58 0B 58 -3,-0.2 3,-2.3 -10,-0.2 -14,-0.3 -0.495 50.4 -80.2 -80.9 159.6 16.5 -2.6 16.8 68 68 A I T 3 S+ 0 0 37 -10,-2.2 -8,-0.4 1,-0.3 -14,-0.2 -0.408 120.5 19.1 -64.8 125.3 15.4 1.1 16.8 69 69 A G T 3 S+ 0 0 39 -16,-3.1 -1,-0.3 1,-0.3 -15,-0.1 0.232 87.5 144.8 97.0 -11.9 11.8 1.3 18.2 70 70 A E < - 0 0 8 -3,-2.3 -17,-2.5 -17,-0.1 2,-0.5 -0.348 49.0-127.5 -59.9 136.6 12.0 -2.1 20.0 71 71 A K E +B 52 0A 115 -19,-0.2 2,-0.3 -2,-0.0 -19,-0.2 -0.769 34.0 177.5 -83.7 129.3 10.1 -2.2 23.3 72 72 A V E +B 51 0A 3 -21,-2.5 -21,-2.3 -2,-0.5 3,-0.2 -0.907 31.6 51.4-128.9 161.0 12.2 -3.5 26.2 73 73 A G S S- 0 0 18 -2,-0.3 -25,-0.2 -32,-0.3 -28,-0.2 -0.267 93.9 -74.2 104.5 165.7 11.5 -3.9 29.9 74 74 A T - 0 0 65 -27,-2.9 -24,-0.2 -30,-0.3 -26,-0.2 0.636 65.1-120.3 -68.2 -17.4 8.8 -5.6 31.9 75 75 A G S S+ 0 0 42 -26,-2.5 -25,-0.2 -28,-0.4 2,-0.1 0.322 79.7 116.2 89.2 -9.2 6.6 -2.6 30.9 76 76 A R + 0 0 186 -27,-0.3 -1,-0.4 -29,-0.2 -2,-0.1 -0.452 64.0 24.3 -79.2 162.3 6.1 -1.7 34.5 77 77 A G S S- 0 0 58 -28,-0.2 -28,-0.2 -2,-0.1 2,-0.1 -0.264 105.1 -11.3 83.7-166.8 7.5 1.7 35.6 78 78 A D - 0 0 70 -30,-0.4 -28,-3.0 1,-0.1 2,-0.4 -0.343 61.4-111.4 -73.2 148.2 8.2 4.7 33.4 79 79 A A E +a 50 0A 45 -30,-0.2 30,-0.8 -2,-0.1 2,-0.3 -0.640 52.7 177.0 -68.7 125.9 8.3 5.2 29.7 80 80 A V E -aC 51 108A 2 -30,-1.7 -28,-2.2 -2,-0.4 2,-0.4 -0.975 33.7-119.8-138.9 149.3 12.0 5.8 29.1 81 81 A D E -aC 52 107A 13 26,-2.2 26,-2.3 -2,-0.3 2,-0.4 -0.738 33.0-155.8 -86.0 139.9 14.3 6.3 26.1 82 82 A I E -aC 53 106A 0 -30,-2.6 -28,-3.5 -2,-0.4 -27,-1.7 -0.972 14.4-170.7-124.9 132.1 17.0 3.6 25.8 83 83 A A E -aC 55 105A 2 22,-3.0 22,-2.5 -2,-0.4 2,-0.4 -0.982 14.1-172.6-117.2 125.8 20.4 3.8 24.2 84 84 A V E + C 0 104A 4 -29,-2.6 20,-0.2 -2,-0.5 3,-0.1 -0.940 24.6 171.3-119.9 140.4 22.4 0.5 23.9 85 85 A D E - C 0 103A 20 18,-3.0 18,-2.9 -2,-0.4 3,-0.4 -0.708 12.9-175.4-137.1 82.5 25.9 -0.2 22.8 86 86 A P E S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -66,-0.1 0.850 79.2 13.0 -57.0 -39.3 26.2 -3.9 23.7 87 87 A I E > - 0 0 6 15,-0.1 2,-0.9 -3,-0.1 3,-0.5 -0.911 62.6-169.5-135.4 115.5 29.8 -3.9 22.6 88 88 A E E 3 S+ C 0 101A 18 13,-3.3 13,-2.1 -3,-0.4 99,-0.1 -0.915 89.5 29.8 -90.1 104.5 31.7 -0.7 22.0 89 89 A G T 3> + 0 0 13 -2,-0.9 4,-2.3 11,-0.2 -1,-0.2 0.779 65.3 159.9 107.7 44.6 34.8 -2.3 20.4 90 90 A T H <> S+ 0 0 18 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.906 78.4 53.2 -64.0 -40.6 33.6 -5.5 18.8 91 91 A R H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 111.3 46.6 -56.3 -48.4 36.7 -5.7 16.5 92 92 A M H 4>S+ 0 0 14 2,-0.2 5,-3.1 1,-0.2 4,-0.3 0.859 109.9 53.7 -65.7 -35.4 38.9 -5.4 19.6 93 93 A T H ><5S+ 0 0 0 -4,-2.3 -68,-2.7 3,-0.2 3,-1.2 0.955 111.0 45.6 -59.2 -50.1 36.9 -8.1 21.4 94 94 A A H 3<5S+ 0 0 5 -4,-2.7 -67,-2.2 1,-0.2 -2,-0.2 0.875 119.0 42.5 -60.8 -34.9 37.3 -10.5 18.5 95 95 A M T 3<5S- 0 0 114 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.284 112.0-115.8 -97.8 9.8 41.1 -9.7 18.3 96 96 A G T < 5 + 0 0 44 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.2 0.838 65.3 146.6 60.0 39.5 41.7 -9.7 22.1 97 97 A Q < - 0 0 78 -5,-3.1 3,-0.4 1,-0.2 -1,-0.2 -0.569 47.9 -87.2-106.4 167.9 42.6 -6.0 22.2 98 98 A A S S+ 0 0 55 -2,-0.2 189,-0.2 1,-0.2 -1,-0.2 -0.089 92.6 38.1 -66.0 162.6 42.2 -3.1 24.7 99 99 A N + 0 0 28 187,-2.1 2,-0.4 1,-0.2 88,-0.2 0.705 65.9 143.2 72.3 27.9 39.3 -0.8 25.2 100 100 A A + 0 0 1 -3,-0.4 184,-2.8 186,-0.1 185,-1.5 -0.799 20.9 160.0 -93.3 139.7 36.2 -3.0 24.6 101 101 A L E -CD 88 283A 6 -13,-2.1 -13,-3.3 -2,-0.4 2,-0.4 -0.975 38.7-122.1-154.3 161.9 33.2 -2.1 26.9 102 102 A A E - D 0 282A 0 180,-2.3 180,-2.2 -2,-0.3 2,-0.4 -0.928 34.2-165.6-111.0 134.9 29.4 -2.6 27.1 103 103 A V E +CD 85 281A 1 -18,-2.9 -18,-3.0 -2,-0.4 2,-0.3 -0.966 16.6 171.1-132.5 140.8 27.4 0.6 27.3 104 104 A L E -CD 84 280A 1 176,-2.5 176,-3.1 -2,-0.4 2,-0.4 -0.994 6.2-173.4-142.6 139.1 23.7 1.6 28.2 105 105 A A E -CD 83 279A 0 -22,-2.5 -22,-3.0 -2,-0.3 2,-0.4 -0.996 4.0-167.9-130.1 143.2 22.0 4.9 28.8 106 106 A V E +CD 82 278A 1 172,-2.5 172,-2.6 -2,-0.4 2,-0.3 -0.996 16.3 163.1-129.0 127.0 18.4 5.5 30.0 107 107 A G E -CD 81 277A 0 -26,-2.3 -26,-2.2 -2,-0.4 170,-0.2 -0.819 43.9 -67.4-131.2 173.1 16.7 8.8 29.9 108 108 A D E > S-C 80 0A 44 168,-0.9 3,-2.6 -2,-0.3 4,-0.4 -0.187 72.4 -76.9 -48.8 154.7 13.3 10.4 30.1 109 109 A K T 3 S+ 0 0 160 -30,-0.8 -1,-0.1 1,-0.3 -29,-0.1 -0.380 124.1 13.2 -57.1 129.8 10.9 9.6 27.3 110 110 A G T 3 S+ 0 0 38 -3,-0.1 -1,-0.3 2,-0.1 163,-0.1 0.512 91.7 121.2 81.1 8.1 12.0 11.8 24.4 111 111 A C < + 0 0 3 -3,-2.6 162,-2.9 161,-0.1 2,-0.5 0.822 59.6 67.3 -70.5 -33.2 15.4 12.7 26.0 112 112 A F B S-I 272 0C 4 -4,-0.4 160,-0.2 160,-0.2 -2,-0.1 -0.783 84.6-119.3-103.4 127.2 17.6 11.3 23.2 113 113 A L - 0 0 11 158,-2.5 2,-1.8 -2,-0.5 102,-0.1 -0.350 27.7-127.3 -48.8 126.6 18.0 12.7 19.7 114 114 A N - 0 0 55 144,-0.1 -1,-0.1 -4,-0.1 -59,-0.1 -0.571 36.7-165.9 -83.8 83.3 16.9 9.9 17.3 115 115 A A - 0 0 9 -2,-1.8 2,-0.1 96,-0.1 140,-0.0 -0.458 17.3-128.5 -74.6 132.9 20.1 10.1 15.2 116 116 A P - 0 0 7 0, 0.0 2,-1.8 0, 0.0 95,-0.1 -0.395 41.5 -94.6 -63.8 158.5 20.2 8.4 11.8 117 117 A D S S+ 0 0 127 94,-0.1 2,-0.2 93,-0.1 93,-0.0 -0.622 88.2 108.4 -81.9 86.5 23.2 6.1 11.5 118 118 A M S S- 0 0 6 -2,-1.8 93,-2.6 116,-0.1 116,-0.1 -0.790 73.5 -64.7-142.9-177.2 25.5 8.7 9.8 119 119 A Y E -JK 210 233D 33 114,-0.9 114,-2.3 -2,-0.2 2,-0.3 -0.425 40.2-167.3 -77.7 151.8 28.5 10.8 10.7 120 120 A M E -JK 209 232D 0 89,-2.9 89,-2.4 112,-0.2 2,-0.4 -0.971 18.6-136.5-136.8 127.6 28.6 13.5 13.3 121 121 A E E -JK 208 231D 26 110,-2.9 110,-1.3 -2,-0.3 2,-0.4 -0.662 34.3-163.6 -73.1 130.3 31.3 16.1 13.9 122 122 A K E -JK 207 230D 0 85,-2.2 85,-2.3 -2,-0.4 2,-0.4 -0.915 25.8-177.1-124.7 147.2 31.8 16.4 17.7 123 123 A L E +JK 206 229D 0 106,-2.2 106,-2.0 -2,-0.4 2,-0.4 -0.935 20.1 176.4-140.4 115.5 33.4 18.8 20.1 124 124 A I E +JK 205 228D 0 81,-2.6 81,-2.5 -2,-0.4 2,-0.3 -0.971 6.6 168.7-132.0 134.7 33.4 17.7 23.7 125 125 A V E -JK 204 227D 0 102,-2.5 102,-2.2 -2,-0.4 79,-0.1 -0.887 29.3-108.2-134.4 166.2 34.8 19.2 27.0 126 126 A G > - 0 0 7 77,-0.6 3,-2.0 69,-0.4 70,-0.2 -0.253 47.0 -82.4 -87.6 179.5 34.5 18.7 30.7 127 127 A P G > S+ 0 0 64 0, 0.0 3,-1.5 0, 0.0 69,-0.1 0.794 122.5 65.0 -54.3 -38.1 32.9 20.8 33.5 128 128 A G G 3 S+ 0 0 53 1,-0.3 98,-0.1 22,-0.0 68,-0.0 0.556 111.5 35.1 -64.3 -9.9 35.9 23.2 33.8 129 129 A A G X S+ 0 0 1 -3,-2.0 3,-1.7 21,-0.1 -1,-0.3 0.106 82.4 142.3-129.2 17.6 35.3 24.4 30.2 130 130 A K T < S+ 0 0 84 -3,-1.5 97,-0.1 1,-0.3 96,-0.1 -0.376 71.8 21.9 -61.6 135.5 31.4 24.3 30.1 131 131 A G T 3 S+ 0 0 64 -2,-0.1 -1,-0.3 2,-0.1 95,-0.0 0.451 100.4 95.4 88.0 1.5 30.0 27.2 28.2 132 132 A T < + 0 0 41 -3,-1.7 2,-0.3 14,-0.0 -2,-0.1 0.438 64.6 80.8-108.4 1.5 33.2 27.9 26.2 133 133 A I + 0 0 15 -4,-0.2 2,-0.2 12,-0.1 95,-0.1 -0.802 39.3 168.9-113.1 155.1 32.7 25.9 22.9 134 134 A D > - 0 0 43 -2,-0.3 3,-2.8 4,-0.1 8,-0.1 -0.756 24.9-154.5-162.3 109.3 30.8 26.6 19.6 135 135 A L T 3 S+ 0 0 10 1,-0.3 4,-0.1 -2,-0.2 7,-0.0 0.579 95.8 70.9 -62.5 -11.4 31.2 24.6 16.5 136 136 A N T 3 S+ 0 0 96 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.597 92.4 73.4 -76.8 -16.4 30.2 27.7 14.5 137 137 A L S < S- 0 0 75 -3,-2.8 -3,-0.1 1,-0.1 5,-0.0 -0.658 101.6 -90.0 -88.7 153.9 33.6 29.0 15.5 138 138 A P > - 0 0 77 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.326 35.9-117.1 -54.8 143.5 36.9 27.8 13.9 139 139 A L H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 114.7 56.3 -47.2 -51.8 38.6 24.9 15.7 140 140 A A H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 108.1 47.8 -52.5 -43.5 41.6 27.0 16.6 141 141 A D H > S+ 0 0 61 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.922 110.7 51.6 -62.9 -47.1 39.4 29.5 18.4 142 142 A N H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 110.1 49.0 -53.2 -46.5 37.6 26.8 20.2 143 143 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.925 111.3 49.0 -66.9 -42.8 40.9 25.3 21.5 144 144 A R H X S+ 0 0 117 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.941 111.6 49.9 -53.8 -51.8 42.2 28.7 22.6 145 145 A N H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.887 112.6 47.0 -57.0 -42.3 38.9 29.3 24.5 146 146 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.939 110.3 50.6 -67.4 -46.9 39.0 25.9 26.2 147 147 A A H X>S+ 0 0 3 -4,-2.7 5,-2.4 1,-0.2 4,-0.7 0.909 111.0 51.2 -60.0 -40.6 42.7 26.2 27.3 148 148 A A H ><5S+ 0 0 75 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.2 0.924 110.2 47.8 -60.0 -47.3 41.9 29.6 28.7 149 149 A A H 3<5S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.861 113.0 48.8 -62.1 -36.5 38.9 28.3 30.7 150 150 A L H 3<5S- 0 0 59 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.560 111.3-125.0 -81.3 -7.1 41.1 25.4 31.9 151 151 A G T <<5S+ 0 0 72 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.794 70.1 116.1 69.7 30.9 43.9 27.9 32.9 152 152 A K S > - 0 0 68 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.400 36.6-113.9 -64.9 152.7 48.7 27.2 27.9 154 154 A L G >4 S+ 0 0 39 1,-0.3 3,-0.6 2,-0.2 26,-0.3 0.827 114.9 63.2 -55.7 -37.4 47.5 26.0 24.5 155 155 A S G 34 S+ 0 0 74 1,-0.3 -1,-0.3 24,-0.2 23,-0.1 0.674 103.8 48.9 -65.1 -20.5 50.7 23.8 24.2 156 156 A E G <4 S+ 0 0 106 -3,-1.5 -1,-0.3 23,-0.1 -2,-0.2 0.701 84.8 110.7 -86.4 -26.1 49.5 21.8 27.2 157 157 A L << - 0 0 0 -4,-0.9 23,-2.7 -3,-0.6 2,-0.6 -0.253 58.4-148.9 -58.0 134.2 45.9 21.3 25.9 158 158 A T E -l 180 0D 2 43,-0.3 45,-2.4 21,-0.2 46,-1.9 -0.941 13.4-172.6-114.0 119.7 45.3 17.6 25.0 159 159 A V E -lm 181 204D 0 21,-3.1 23,-2.8 -2,-0.6 2,-0.3 -0.932 8.4-156.0-108.6 127.7 42.9 16.8 22.3 160 160 A T E +lm 182 205D 2 44,-3.2 46,-2.3 -2,-0.5 2,-0.3 -0.795 21.6 165.8-103.5 146.9 41.8 13.2 21.5 161 161 A I E -l 183 0D 1 21,-1.9 23,-2.3 -2,-0.3 2,-0.2 -0.974 42.9 -89.3-157.4 146.9 40.6 12.4 18.0 162 162 A L E -l 184 0D 13 -2,-0.3 2,-1.7 44,-0.3 5,-0.1 -0.481 38.3-124.5 -64.6 129.3 39.9 9.2 16.0 163 163 A A + 0 0 52 21,-3.0 -1,-0.1 -2,-0.2 20,-0.0 -0.634 64.6 130.6 -77.6 84.4 43.0 8.1 14.0 164 164 A K S > S- 0 0 78 -2,-1.7 3,-2.1 1,-0.1 4,-0.3 -0.973 71.7-111.1-137.0 150.6 41.3 8.1 10.6 165 165 A P G > S+ 0 0 105 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.845 113.7 65.9 -49.9 -37.2 42.2 9.6 7.2 166 166 A R G 3 S+ 0 0 57 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.755 102.8 49.8 -56.0 -23.5 39.4 12.1 7.4 167 167 A H G <> S+ 0 0 3 -3,-2.1 4,-2.3 1,-0.1 -1,-0.3 0.380 78.1 99.7-101.1 2.1 41.3 13.6 10.3 168 168 A D H <> S+ 0 0 107 -3,-1.9 4,-2.1 -4,-0.3 5,-0.2 0.949 86.2 45.6 -52.8 -53.9 44.8 14.0 8.8 169 169 A A H > S+ 0 0 81 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.924 115.0 45.2 -57.7 -50.9 44.4 17.7 8.0 170 170 A V H > S+ 0 0 20 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.829 110.6 54.4 -66.2 -33.2 42.9 18.7 11.4 171 171 A I H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.942 111.0 44.7 -65.5 -44.5 45.5 16.6 13.3 172 172 A A H X S+ 0 0 56 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.892 112.2 54.7 -64.6 -38.1 48.4 18.4 11.5 173 173 A E H X S+ 0 0 93 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.950 110.6 44.0 -57.9 -49.9 46.5 21.7 12.1 174 174 A M H X>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-0.5 0.860 112.4 52.1 -65.1 -37.3 46.4 21.0 15.8 175 175 A Q H ><5S+ 0 0 110 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.940 108.8 50.2 -66.5 -44.2 50.0 19.9 15.9 176 176 A Q H 3<5S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.0 57.0 -60.2 -24.8 51.0 23.2 14.1 177 177 A L H 3<5S- 0 0 45 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.652 120.2-114.2 -79.2 -17.2 49.0 25.0 16.8 178 178 A G T <<5 + 0 0 36 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.483 68.1 139.8 97.5 1.7 51.1 23.3 19.5 179 179 A V < - 0 0 7 -5,-2.1 2,-0.4 -23,-0.1 -1,-0.3 -0.444 57.0-113.2 -76.4 149.9 48.4 21.2 21.0 180 180 A R E -l 158 0D 98 -23,-2.7 -21,-3.1 -26,-0.3 2,-0.5 -0.756 31.8-155.5 -81.9 133.1 49.0 17.6 22.2 181 181 A V E -l 159 0D 23 -2,-0.4 2,-0.9 -23,-0.2 -21,-0.2 -0.945 13.9-165.9-117.7 115.8 47.0 15.1 20.0 182 182 A F E -l 160 0D 74 -23,-2.8 -21,-1.9 -2,-0.5 2,-0.8 -0.866 15.6-167.3 -99.9 96.9 46.0 11.7 21.3 183 183 A A E -l 161 0D 50 -2,-0.9 -21,-0.2 -23,-0.2 -23,-0.1 -0.809 13.8-155.7 -97.4 103.9 45.0 10.0 18.0 184 184 A I E -l 162 0D 20 -23,-2.3 -21,-3.0 -2,-0.8 -2,-0.0 -0.584 22.3-145.5-101.8 146.0 43.2 6.9 19.0 185 185 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 0.825 79.6 43.1 -70.5 -34.8 42.5 3.6 17.2 186 186 A D S S- 0 0 23 1,-0.2 2,-0.1 -98,-0.0 -23,-0.1 0.584 97.3 -44.7 -99.1-129.4 39.1 2.7 18.5 187 187 A G - 0 0 20 -88,-0.2 4,-0.3 -25,-0.1 -1,-0.2 -0.353 37.6-126.3-104.4-177.5 35.8 4.5 19.2 188 188 A D S > S+ 0 0 7 2,-0.1 4,-2.2 -2,-0.1 5,-0.1 0.468 84.6 82.0-116.8 -1.1 34.9 7.8 20.8 189 189 A V H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.975 101.2 36.4 -69.2 -56.8 32.3 7.1 23.5 190 190 A A H > S+ 0 0 6 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.923 117.3 55.1 -58.4 -43.9 34.7 6.0 26.2 191 191 A A H >> S+ 0 0 5 -4,-0.3 3,-0.9 1,-0.2 4,-0.7 0.911 101.5 57.9 -58.6 -40.8 37.2 8.7 25.0 192 192 A S H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.3 4,-0.3 0.863 101.3 56.6 -58.2 -36.1 34.6 11.5 25.3 193 193 A I H >< S+ 0 0 0 -4,-1.3 3,-2.1 -3,-0.4 4,-0.3 0.818 90.3 72.0 -67.8 -29.5 34.1 10.6 29.0 194 194 A L H X< S+ 0 0 9 -4,-1.0 3,-1.7 -3,-0.9 6,-0.3 0.824 83.5 70.7 -55.7 -29.5 37.9 11.2 29.7 195 195 A T T << S+ 0 0 14 -3,-0.9 -69,-0.4 -4,-0.7 -1,-0.3 0.784 104.3 42.0 -57.4 -25.2 37.3 14.9 29.3 196 196 A C T < S+ 0 0 18 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.360 93.2 94.3-102.4 0.3 35.4 14.8 32.5 197 197 A M X - 0 0 29 -3,-1.7 3,-2.2 -4,-0.3 5,-0.1 -0.875 64.6-152.4 -98.7 111.7 37.9 12.5 34.4 198 198 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.723 93.3 55.3 -52.5 -28.0 40.3 14.6 36.4 199 199 A D T 3 S+ 0 0 167 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.531 89.8 89.2 -88.5 -7.6 43.1 11.9 36.2 200 200 A S S < S- 0 0 32 -3,-2.2 89,-0.0 -6,-0.3 88,-0.0 -0.741 71.6-143.0 -87.2 141.7 43.0 11.7 32.4 201 201 A E S S+ 0 0 106 -2,-0.4 2,-0.3 -44,-0.0 -43,-0.3 0.618 72.1 109.7 -67.9 -16.1 45.3 14.1 30.5 202 202 A V + 0 0 7 1,-0.2 -5,-0.2 -5,-0.1 -43,-0.2 -0.478 34.8 165.8 -71.3 125.2 42.5 14.4 27.9 203 203 A D + 0 0 22 -45,-2.4 -77,-0.6 -2,-0.3 2,-0.3 0.739 63.3 19.6-104.1 -33.9 40.9 17.8 27.9 204 204 A V E -Jm 125 159D 0 -46,-1.9 -44,-3.2 -79,-0.1 2,-0.5 -0.989 54.6-153.1-139.1 144.9 38.9 17.8 24.6 205 205 A L E +Jm 124 160D 5 -81,-2.5 -81,-2.6 -2,-0.3 2,-0.4 -0.983 26.2 172.4-114.6 133.7 37.6 15.4 22.1 206 206 A Y E +J 123 0D 27 -46,-2.3 -44,-0.3 -2,-0.5 -83,-0.2 -0.999 23.2 56.3-136.3 142.9 37.2 16.6 18.6 207 207 A G E S-J 122 0D 3 -85,-2.3 -85,-2.2 -2,-0.4 2,-0.6 -0.628 74.6 -47.5 133.4 175.5 36.3 15.1 15.3 208 208 A I E +J 121 0D 26 -87,-0.2 -87,-0.2 -2,-0.2 2,-0.2 -0.733 61.0 134.4 -91.0 118.4 33.9 13.1 13.1 209 209 A G E -J 120 0D 2 -89,-2.4 -89,-2.9 -2,-0.6 2,-0.1 -0.569 58.0 -38.2-137.2-157.8 32.5 9.8 14.5 210 210 A G E > -J 119 0D 18 -91,-0.2 4,-1.8 -2,-0.2 -91,-0.2 -0.415 41.4-141.7 -76.3 142.4 29.1 8.0 14.7 211 211 A A H > S+ 0 0 0 -93,-2.6 4,-1.8 2,-0.2 5,-0.2 0.939 101.7 49.3 -71.5 -45.7 26.0 10.0 15.3 212 212 A P H > S+ 0 0 15 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.923 112.1 50.9 -59.0 -39.9 24.2 7.5 17.5 213 213 A E H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.879 105.7 57.5 -58.1 -37.6 27.5 7.3 19.6 214 214 A G H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.861 104.2 50.1 -63.9 -40.5 27.5 11.1 19.7 215 215 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.883 108.9 51.8 -64.0 -39.5 24.1 11.2 21.4 216 216 A V H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.953 111.6 48.5 -59.0 -48.2 25.2 8.6 24.0 217 217 A S H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.941 109.0 53.1 -54.2 -47.4 28.2 10.9 24.6 218 218 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.909 108.0 50.6 -56.1 -42.0 25.8 13.9 24.9 219 219 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.936 116.0 39.9 -63.9 -49.7 23.7 12.1 27.5 220 220 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 114.6 52.7 -70.9 -37.5 26.7 11.1 29.8 221 221 A I H X>S+ 0 0 0 -4,-3.1 5,-2.4 -5,-0.3 4,-0.6 0.937 110.7 48.3 -61.4 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