==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAY-09 3HJZ . COMPND 2 MOLECULE: TRANSALDOLASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: PROCHLOROCOCCUS MARINUS STR. MIT 9312; . AUTHOR A.U.SINGER,X.XU,H.CUI,A.JOACHIMIAK,A.M.EDWARDS,A.SAVCHENKO,M . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 2 0 2 1 0 2 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 0 A G 0 0 96 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 177.6 -15.3 19.4 4.9 2 1 A X - 0 0 149 0, 0.0 2,-0.6 0, 0.0 258,-0.0 0.510 360.0-145.7 -61.6 146.0 -13.0 19.3 3.1 3 2 A K - 0 0 112 -2,-0.2 258,-0.4 258,-0.1 254,-0.0 -0.811 4.5-145.0 -98.1 116.8 -13.0 15.7 4.4 4 3 A S > - 0 0 22 -2,-0.6 4,-2.3 256,-0.1 256,-0.2 -0.218 32.7-105.8 -63.2 163.4 -9.7 13.8 4.8 5 4 A I H > S+ 0 0 7 254,-1.6 4,-3.0 251,-0.8 252,-0.2 0.892 124.3 55.3 -57.1 -41.4 -9.6 10.1 4.1 6 5 A L H > S+ 0 0 32 250,-1.7 4,-2.8 253,-0.3 -1,-0.2 0.932 106.7 48.6 -59.4 -43.6 -9.4 9.7 7.9 7 6 A E H > S+ 0 0 88 249,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.924 112.3 48.1 -66.6 -41.4 -12.6 11.6 8.4 8 7 A Q H >< S+ 0 0 29 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.958 112.7 49.5 -57.4 -50.9 -14.4 9.6 5.7 9 8 A L H >X S+ 0 0 2 -4,-3.0 3,-1.7 1,-0.3 4,-1.5 0.880 106.6 55.2 -55.6 -43.2 -13.2 6.4 7.3 10 9 A S H 3< S+ 0 0 65 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.714 101.9 58.1 -68.8 -20.0 -14.3 7.4 10.8 11 10 A S T << S+ 0 0 93 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.646 117.4 33.1 -79.1 -13.3 -17.8 8.0 9.4 12 11 A X T <4 S+ 0 0 29 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.566 125.2 27.2-112.9 -19.0 -17.9 4.3 8.3 13 12 A T S < S- 0 0 8 -4,-1.5 2,-0.9 -5,-0.1 -1,-0.3 -0.996 76.8-110.0-152.4 137.9 -15.8 2.5 10.9 14 13 A V E -a 245 0A 69 230,-2.4 232,-2.0 -2,-0.3 2,-0.4 -0.681 42.6-153.8 -71.3 108.2 -14.8 2.8 14.6 15 14 A V E -a 246 0A 32 -2,-0.9 2,-0.4 230,-0.2 16,-0.3 -0.746 14.2-174.9 -91.8 132.3 -11.2 3.7 14.2 16 15 A V E -a 247 0A 3 230,-2.4 232,-2.8 -2,-0.4 2,-0.1 -0.990 26.3-120.1-132.5 127.4 -8.9 2.7 17.0 17 16 A A E -a 248 0A 7 -2,-0.4 2,-0.5 230,-0.2 232,-0.2 -0.437 30.5-120.8 -62.3 134.4 -5.2 3.5 17.4 18 17 A D + 0 0 69 230,-2.6 2,-0.3 -2,-0.1 -1,-0.1 -0.686 42.4 175.3 -76.4 118.6 -3.1 0.4 17.7 19 18 A T + 0 0 22 -2,-0.5 15,-0.2 230,-0.1 3,-0.1 -0.966 27.1 178.2-128.9 145.1 -1.3 0.6 21.1 20 19 A G + 0 0 46 -2,-0.3 2,-0.3 1,-0.1 22,-0.2 0.245 69.8 39.0-126.3 9.9 1.0 -1.9 22.9 21 20 A D S > S- 0 0 53 1,-0.1 4,-1.7 21,-0.1 3,-0.2 -0.984 81.9-107.9-155.5 162.5 1.9 0.1 26.0 22 21 A L H > S+ 0 0 2 17,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.843 113.7 57.5 -65.0 -37.8 0.4 2.5 28.5 23 22 A D H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.1 46.8 -58.7 -42.5 2.3 5.6 27.2 24 23 A S H > S+ 0 0 28 2,-0.2 4,-2.8 -3,-0.2 5,-0.4 0.840 109.6 54.0 -68.0 -34.6 0.7 5.1 23.8 25 24 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.952 112.1 44.4 -64.3 -45.9 -2.7 4.5 25.3 26 25 A K H < S+ 0 0 90 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.919 117.7 45.5 -60.6 -43.3 -2.3 7.9 27.2 27 26 A K H < S+ 0 0 159 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.940 124.4 29.0 -68.6 -49.9 -1.0 9.6 24.0 28 27 A F H < S- 0 0 68 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.672 87.0-147.1 -88.6 -19.5 -3.5 8.3 21.4 29 28 A Q < - 0 0 138 -4,-2.1 65,-0.1 -5,-0.4 -3,-0.1 0.925 21.2-161.5 48.1 58.3 -6.5 7.8 23.7 30 29 A P - 0 0 5 0, 0.0 64,-0.4 0, 0.0 65,-0.3 -0.321 23.2-128.0 -66.3 152.0 -7.9 4.8 21.7 31 30 A R S S+ 0 0 129 -16,-0.3 64,-1.9 62,-0.2 2,-0.3 0.929 95.5 20.5 -64.9 -43.3 -11.6 3.9 22.3 32 31 A D S S+ 0 0 14 63,-0.2 2,-0.2 62,-0.1 65,-0.2 -0.909 72.8 165.1-122.6 155.4 -10.5 0.3 23.1 33 32 A A E -c 97 0B 8 63,-1.6 65,-3.0 -2,-0.3 2,-0.4 -0.849 25.2-109.8-155.2-172.3 -7.2 -1.2 24.1 34 33 A T E -c 98 0B 40 63,-0.2 2,-0.6 -2,-0.2 65,-0.2 -0.980 2.7-153.9-137.4 133.3 -5.7 -4.4 25.6 35 34 A T E +c 99 0B 0 63,-2.8 65,-2.2 -2,-0.4 47,-0.1 -0.934 41.9 141.1 -96.2 124.8 -4.0 -5.7 28.8 36 35 A N >> - 0 0 35 -2,-0.6 4,-1.7 63,-0.2 3,-0.5 -0.949 66.7 -88.3-151.8 167.8 -1.7 -8.5 27.9 37 36 A P H 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.881 122.0 56.0 -47.5 -41.9 1.7 -9.9 29.0 38 37 A S H 3> S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.845 105.1 50.1 -64.5 -40.2 3.5 -7.7 26.4 39 38 A L H <> S+ 0 0 1 -3,-0.5 4,-2.1 2,-0.2 -17,-0.3 0.895 112.8 48.2 -61.0 -42.4 2.1 -4.4 27.6 40 39 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.884 109.0 52.2 -69.5 -39.6 3.1 -5.3 31.2 41 40 A L H < S+ 0 0 34 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.909 110.5 49.8 -58.2 -44.8 6.7 -6.3 30.1 42 41 A A H >< S+ 0 0 42 -4,-2.1 3,-1.2 -22,-0.2 -2,-0.2 0.908 109.4 51.5 -56.4 -45.6 6.9 -2.9 28.4 43 42 A A H >< S+ 0 0 4 -4,-2.1 3,-2.3 1,-0.3 7,-0.5 0.791 94.1 71.3 -66.4 -29.7 5.7 -1.2 31.6 44 43 A A T 3< S+ 0 0 22 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.743 93.3 58.5 -59.0 -21.7 8.3 -3.0 33.7 45 44 A K T < S+ 0 0 180 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.519 92.2 85.0 -83.3 -7.7 10.9 -0.7 32.0 46 45 A N S <> S- 0 0 34 -3,-2.3 4,-2.7 -4,-0.1 5,-0.3 -0.859 72.1-144.7-106.4 122.8 9.1 2.4 33.3 47 46 A P T 4 S+ 0 0 103 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.728 100.8 45.7 -62.8 -21.2 9.8 3.7 36.8 48 47 A D T >4 S+ 0 0 99 2,-0.1 3,-1.2 1,-0.1 4,-0.4 0.959 117.2 39.0 -77.5 -61.5 6.2 4.8 37.3 49 48 A Y T >> S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 4,-1.2 0.764 101.7 70.1 -68.0 -30.1 4.4 1.7 36.0 50 49 A V H 3X S+ 0 0 17 -4,-2.7 4,-2.5 -7,-0.5 -1,-0.3 0.842 90.7 64.6 -56.1 -29.5 6.8 -0.9 37.5 51 50 A K H <> S+ 0 0 144 -3,-1.2 4,-2.0 -4,-0.3 -1,-0.3 0.835 97.6 54.5 -62.0 -31.2 5.4 0.1 41.0 52 51 A L H <> S+ 0 0 36 -3,-1.5 4,-1.7 -4,-0.4 -1,-0.2 0.851 106.0 52.3 -73.4 -33.8 2.1 -1.3 39.9 53 52 A I H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.947 109.9 47.5 -59.5 -53.2 3.8 -4.6 39.1 54 53 A D H X S+ 0 0 24 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.886 108.6 56.7 -58.3 -36.4 5.3 -4.7 42.6 55 54 A K H X S+ 0 0 118 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.899 103.1 52.7 -60.2 -40.7 1.9 -3.9 44.0 56 55 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.872 108.8 50.8 -62.7 -37.0 0.3 -6.9 42.2 57 56 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.965 112.6 45.9 -63.4 -53.0 3.0 -9.1 43.9 58 57 A E H X S+ 0 0 89 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 113.3 49.6 -52.8 -47.2 2.2 -7.5 47.3 59 58 A S H X S+ 0 0 25 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.883 111.1 49.0 -61.9 -38.8 -1.6 -8.0 46.7 60 59 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.889 108.2 54.5 -70.0 -38.4 -1.1 -11.6 45.7 61 60 A E H < S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 111.0 45.5 -57.5 -42.9 1.0 -12.2 48.8 62 61 A N H < S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.787 112.9 52.7 -68.6 -30.9 -1.9 -10.8 50.9 63 62 A T H < S+ 0 0 71 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.857 91.2 84.6 -79.3 -36.5 -4.4 -12.9 49.0 64 63 A L S < S- 0 0 31 -4,-1.9 3,-0.1 1,-0.1 4,-0.1 -0.241 86.0 -93.9 -77.1 152.1 -3.0 -16.4 49.2 65 64 A P > - 0 0 98 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.288 55.1 -88.6 -52.9 144.3 -3.4 -19.0 52.0 66 65 A N T 3 S+ 0 0 168 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.283 116.4 36.5 -53.5 142.5 -0.6 -19.1 54.6 67 66 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.552 80.7 160.8 86.4 9.7 2.2 -21.4 53.5 68 67 A F < - 0 0 63 -3,-1.2 -1,-0.2 -7,-0.1 2,-0.2 -0.278 34.4-126.5 -58.9 149.7 1.9 -20.5 49.8 69 68 A S > - 0 0 56 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.506 22.5-108.2 -87.5 166.5 5.0 -21.3 47.5 70 69 A E H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 121.5 56.0 -61.1 -39.5 6.8 -18.9 45.2 71 70 A I H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 108.2 46.7 -57.5 -49.3 5.2 -20.8 42.2 72 71 A E H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.881 111.7 52.3 -60.2 -39.9 1.7 -20.2 43.6 73 72 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.935 110.3 47.0 -59.7 -49.5 2.6 -16.5 44.2 74 73 A I H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 112.3 50.3 -64.4 -42.6 3.8 -16.0 40.6 75 74 A K H X S+ 0 0 134 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.925 113.4 44.5 -57.9 -48.0 0.7 -17.7 39.2 76 75 A E H X S+ 0 0 25 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.898 111.8 54.3 -65.4 -38.1 -1.6 -15.6 41.3 77 76 A T H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.866 100.2 59.2 -65.3 -39.5 0.4 -12.5 40.4 78 77 A V H X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.917 111.6 43.1 -54.8 -46.3 0.1 -13.2 36.6 79 78 A D H X S+ 0 0 11 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.944 117.1 44.2 -61.2 -55.1 -3.7 -13.0 37.1 80 79 A Q H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.904 111.7 51.5 -64.2 -41.8 -3.7 -9.9 39.4 81 80 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.858 106.2 55.3 -66.8 -36.3 -1.2 -7.9 37.4 82 81 A S H X S+ 0 0 9 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.929 113.2 42.3 -58.0 -46.4 -3.2 -8.4 34.2 83 82 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.855 110.1 55.9 -68.2 -40.5 -6.3 -6.9 35.9 84 83 A F H X S+ 0 0 24 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.939 111.4 45.1 -56.3 -47.2 -4.4 -4.1 37.7 85 84 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.857 110.5 53.7 -69.8 -34.1 -3.1 -3.0 34.2 86 85 A G H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.924 108.6 49.3 -63.0 -44.9 -6.6 -3.3 32.7 87 86 A K H X S+ 0 0 77 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.918 109.7 52.7 -60.6 -40.1 -8.1 -1.1 35.4 88 87 A E H >< S+ 0 0 55 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.922 109.0 49.2 -61.0 -45.4 -5.2 1.4 34.7 89 88 A I H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-2.1 0.937 105.6 57.8 -54.5 -48.2 -6.2 1.3 31.0 90 89 A L H 3< S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.676 97.4 61.5 -61.3 -21.1 -10.0 1.9 31.9 91 90 A K T << S+ 0 0 130 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.679 115.6 33.5 -71.2 -20.6 -9.0 5.2 33.7 92 91 A I T <4 S+ 0 0 36 -3,-2.1 -2,-0.2 -4,-0.5 -3,-0.1 0.852 111.1 61.0-100.8 -51.1 -7.7 6.4 30.3 93 92 A I < - 0 0 9 -4,-2.6 -62,-0.2 1,-0.1 -61,-0.1 -0.373 61.9-147.0 -87.8 161.0 -10.0 4.9 27.6 94 93 A S S S+ 0 0 80 -64,-0.4 -63,-0.1 -65,-0.1 -62,-0.1 0.612 80.4 43.8 -97.9 -15.7 -13.8 5.4 27.1 95 94 A G S S- 0 0 3 -64,-1.9 2,-0.3 -65,-0.3 -63,-0.2 0.250 99.1 -35.9-107.2-133.3 -14.5 1.9 25.7 96 95 A R - 0 0 45 37,-0.1 -63,-1.6 -62,-0.0 2,-0.6 -0.712 37.3-142.4-107.4 141.7 -13.6 -1.7 26.4 97 96 A V E -cd 33 133B 0 35,-2.5 37,-2.4 -2,-0.3 2,-0.4 -0.903 15.7-142.6-102.7 120.9 -10.4 -3.3 27.6 98 97 A S E -cd 34 134B 7 -65,-3.0 -63,-2.8 -2,-0.6 2,-0.5 -0.682 15.5-158.0 -79.1 135.9 -9.5 -6.7 26.1 99 98 A T E -cd 35 135B 0 35,-2.8 37,-2.5 -2,-0.4 2,-0.3 -0.961 14.1-129.5-124.9 111.6 -8.0 -8.9 28.7 100 99 A E E - d 0 136B 13 -65,-2.2 2,-0.4 -2,-0.5 37,-0.2 -0.447 13.3-143.3 -68.9 127.5 -5.8 -11.8 27.4 101 100 A V - 0 0 7 35,-2.6 37,-0.2 -2,-0.3 11,-0.1 -0.760 44.9 -84.0 -85.6 131.8 -6.6 -15.2 28.8 102 101 A D > - 0 0 22 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 -0.080 37.5-146.7 -36.5 115.6 -3.5 -17.3 29.3 103 102 A A G > S+ 0 0 3 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.639 92.1 75.9 -70.9 -16.3 -2.8 -18.8 25.8 104 103 A R G 3 S+ 0 0 90 1,-0.3 3,-0.3 203,-0.1 -1,-0.3 0.699 93.8 53.9 -67.5 -15.5 -1.4 -22.0 27.4 105 104 A L G X S+ 0 0 41 -3,-1.8 3,-2.1 1,-0.2 7,-0.3 0.239 73.3 115.5 -96.2 11.5 -5.0 -22.8 28.1 106 105 A S T < S+ 0 0 5 -3,-1.7 37,-0.5 1,-0.3 34,-0.2 0.667 78.8 42.7 -60.5 -21.3 -6.0 -22.4 24.5 107 106 A F T 3 S+ 0 0 126 -3,-0.3 2,-0.5 35,-0.1 -1,-0.3 0.181 100.4 80.3-110.4 16.9 -7.0 -26.2 24.1 108 107 A D <> - 0 0 75 -3,-2.1 4,-2.2 1,-0.2 5,-0.2 -0.887 53.4-174.5-129.8 98.9 -8.8 -26.5 27.4 109 108 A T H > S+ 0 0 36 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.932 85.9 49.1 -56.9 -50.1 -12.4 -25.2 27.4 110 109 A E H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 113.2 46.0 -61.3 -43.9 -12.9 -25.7 31.2 111 110 A A H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.856 112.7 51.0 -66.9 -37.3 -9.6 -24.0 32.2 112 111 A T H X S+ 0 0 1 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A L H X S+ 0 0 14 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.933 108.0 50.2 -62.9 -46.4 -11.0 -9.7 40.1 123 122 A Y H ><>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-0.7 0.927 110.3 50.7 -55.8 -46.2 -12.2 -6.8 38.0 124 123 A K H ><5S+ 0 0 113 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.927 105.1 55.8 -56.9 -47.1 -15.5 -6.8 40.1 125 124 A N H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.761 108.7 49.8 -54.0 -27.4 -13.4 -6.8 43.3 126 125 A F T <<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.140 127.7 -96.6-104.3 14.9 -11.7 -3.6 42.0 127 126 A G T < 5S+ 0 0 66 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.626 83.3 128.1 88.1 16.2 -14.9 -1.8 41.1 128 127 A I < - 0 0 15 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.916 48.4-143.5-112.7 121.4 -15.0 -2.7 37.4 129 128 A E > - 0 0 96 -2,-0.5 3,-1.6 1,-0.1 4,-0.1 -0.423 24.5-113.3 -79.9 155.3 -18.2 -4.2 35.9 130 129 A K G > S+ 0 0 61 1,-0.3 3,-2.0 2,-0.2 26,-0.3 0.720 106.5 74.5 -62.0 -23.0 -18.0 -6.9 33.1 131 130 A E G 3 S+ 0 0 110 1,-0.3 -1,-0.3 24,-0.1 23,-0.0 0.745 93.8 54.9 -65.9 -15.0 -19.5 -4.6 30.4 132 131 A R G < S+ 0 0 85 -3,-1.6 -35,-2.5 -36,-0.1 2,-0.4 0.457 101.4 76.8 -90.5 -0.6 -16.2 -2.7 30.2 133 132 A I E < -d 97 0B 1 -3,-2.0 2,-0.5 -37,-0.2 23,-0.4 -0.869 55.9-164.4-117.1 140.2 -14.2 -5.9 29.6 134 133 A L E -d 98 0B 1 -37,-2.4 -35,-2.8 -2,-0.4 2,-0.6 -0.996 22.1-139.4-113.1 123.4 -13.7 -8.2 26.6 135 134 A I E -de 99 157B 1 21,-3.2 23,-2.5 -2,-0.5 2,-0.6 -0.735 21.2-144.3 -80.4 120.6 -12.2 -11.6 27.5 136 135 A K E +de 100 158B 14 -37,-2.5 -35,-2.6 -2,-0.6 2,-0.4 -0.813 26.7 168.1-103.4 119.1 -9.7 -12.3 24.8 137 136 A I E - e 0 159B 5 21,-2.1 23,-2.6 -2,-0.6 2,-0.2 -0.943 38.3-109.2-133.7 137.3 -9.3 -15.9 23.7 138 137 A A E - e 0 160B 6 -2,-0.4 2,-1.6 -37,-0.2 23,-0.2 -0.482 37.6-116.1 -66.0 139.1 -7.6 -17.6 20.8 139 138 A A + 0 0 0 21,-2.6 24,-0.1 -2,-0.2 2,-0.1 -0.246 64.4 136.2 -83.1 51.0 -10.1 -19.0 18.2 140 139 A T S > S- 0 0 3 -2,-1.6 4,-2.3 -34,-0.2 5,-0.3 -0.442 74.2-100.0 -71.5 166.0 -9.4 -22.7 18.6 141 140 A W H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.955 126.7 46.3 -52.1 -49.9 -12.4 -25.1 18.8 142 141 A E H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.848 110.4 52.0 -65.0 -36.9 -12.0 -25.2 22.6 143 142 A G H > S+ 0 0 0 -37,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.867 110.7 47.8 -66.6 -38.3 -11.6 -21.4 23.0 144 143 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.931 111.0 51.8 -68.6 -46.0 -14.7 -20.7 20.9 145 144 A K H X S+ 0 0 49 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.886 110.7 48.2 -53.8 -41.7 -16.6 -23.3 23.1 146 145 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 111.5 49.6 -64.9 -45.5 -15.3 -21.5 26.2 147 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.888 105.8 57.5 -61.1 -40.1 -16.5 -18.1 24.8 148 147 A E H X S+ 0 0 50 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.924 110.3 44.2 -56.5 -42.9 -19.9 -19.7 24.0 149 148 A I H X S+ 0 0 69 -4,-1.7 4,-0.6 1,-0.2 3,-0.3 0.948 114.5 48.5 -65.2 -49.3 -20.3 -20.6 27.6 150 149 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.2 0.873 105.5 56.8 -59.3 -43.6 -19.0 -17.2 28.9 151 150 A E H ><5S+ 0 0 12 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.852 99.6 61.0 -61.3 -35.9 -21.3 -15.1 26.6 152 151 A K H 3<5S+ 0 0 169 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.725 105.3 47.5 -63.7 -24.3 -24.3 -16.9 28.0 153 152 A E T <<5S- 0 0 80 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.190 127.3 -99.3-101.6 18.3 -23.4 -15.5 31.4 154 153 A G T < 5S+ 0 0 16 -3,-1.8 2,-0.8 1,-0.3 -3,-0.2 0.595 78.4 139.0 80.4 10.4 -22.9 -12.0 30.0 155 154 A I < - 0 0 9 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.844 47.6-141.9 -88.9 109.7 -19.1 -12.2 29.8 156 155 A K - 0 0 71 -2,-0.8 -21,-3.2 -23,-0.4 2,-0.3 -0.580 18.2-155.9 -77.5 132.5 -18.2 -10.5 26.5 157 156 A C E -e 135 0B 0 -2,-0.3 21,-1.7 -23,-0.3 2,-0.6 -0.863 19.3-152.4-119.9 145.3 -15.4 -12.1 24.5 158 157 A N E -ef 136 178B 4 -23,-2.5 -21,-2.1 -2,-0.3 2,-0.7 -0.971 20.1-153.1-109.7 110.4 -12.9 -11.0 21.8 159 158 A L E +ef 137 179B 0 19,-2.9 21,-2.6 -2,-0.6 -21,-0.2 -0.802 24.1 175.7 -90.1 115.5 -12.0 -14.0 19.7 160 159 A T E +e 138 0B 2 -23,-2.6 -21,-2.6 -2,-0.7 3,-0.1 -0.431 50.1 56.5-118.7-175.3 -8.5 -13.5 18.3 161 160 A L S S+ 0 0 0 19,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.939 76.0 160.0 46.1 51.6 -6.0 -15.5 16.2 162 161 A L + 0 0 0 18,-0.5 20,-0.7 -3,-0.2 -1,-0.2 -0.921 13.6 156.1-111.3 121.8 -8.9 -15.7 13.8 163 162 A F + 0 0 2 -2,-0.5 2,-0.3 18,-0.2 -1,-0.1 0.585 48.6 34.4-125.4 -22.5 -7.9 -16.4 10.2 164 163 A N S > S- 0 0 11 1,-0.1 4,-2.2 132,-0.1 5,-0.1 -0.842 74.7-101.9-140.5 178.8 -10.8 -18.0 8.2 165 164 A F H > S+ 0 0 33 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.885 115.9 59.2 -65.9 -42.5 -14.5 -18.3 7.4 166 165 A C H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 110.0 42.1 -50.1 -52.5 -14.8 -21.5 9.4 167 166 A Q H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.924 115.1 51.3 -63.0 -43.8 -13.6 -19.8 12.6 168 167 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.918 112.6 44.6 -58.7 -49.9 -15.7 -16.6 11.9 169 168 A V H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.877 110.6 53.6 -65.4 -43.2 -18.9 -18.6 11.3 170 169 A T H X S+ 0 0 5 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.896 111.9 46.6 -57.3 -41.2 -18.3 -20.8 14.4 171 170 A C H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-0.3 0.928 112.0 49.9 -65.8 -43.8 -17.9 -17.6 16.5 172 171 A A H ><5S+ 0 0 3 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.925 110.0 50.1 -62.4 -45.8 -21.1 -16.0 15.0 173 172 A N H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.768 108.9 53.9 -63.8 -27.6 -23.2 -19.2 15.6 174 173 A A T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.287 115.0-116.7 -88.0 8.7 -21.9 -19.1 19.2 175 174 A N T < 5 + 0 0 91 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.804 47.2 178.7 63.1 31.6 -23.0 -15.5 19.8 176 175 A I < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.425 28.0-137.6 -66.4 137.3 -19.4 -14.2 20.3 177 176 A T S S+ 0 0 8 -20,-0.2 48,-3.1 1,-0.2 2,-0.3 0.903 75.7 1.1 -60.8 -44.0 -19.3 -10.4 20.9 178 177 A L E -fg 158 225B 0 -21,-1.7 -19,-2.9 46,-0.3 2,-0.4 -0.998 53.9-156.9-154.4 141.0 -16.3 -9.6 18.8 179 178 A I E -fg 159 226B 0 46,-2.6 48,-2.6 -2,-0.3 -19,-0.2 -0.938 6.5-160.7-117.7 146.1 -13.7 -11.2 16.5 180 179 A S - 0 0 3 -21,-2.6 -19,-0.5 -2,-0.4 -18,-0.5 -0.598 10.3-169.1-129.0 73.2 -10.3 -9.7 15.7 181 180 A P - 0 0 2 0, 0.0 48,-2.1 0, 0.0 2,-1.0 -0.395 21.1-133.7 -61.8 135.3 -8.8 -11.2 12.5 182 181 A F B > -h 229 0C 30 -20,-0.7 4,-1.1 1,-0.2 3,-0.3 -0.800 25.0-177.6 -94.9 89.8 -5.1 -10.3 11.9 183 182 A V H > S+ 0 0 0 46,-1.6 4,-1.9 -2,-1.0 3,-0.5 0.874 76.8 53.0 -56.7 -50.6 -5.1 -9.3 8.2 184 183 A G H > S+ 0 0 0 46,-1.9 4,-2.6 45,-0.6 -1,-0.2 0.823 104.0 57.2 -63.4 -31.6 -1.4 -8.7 7.8 185 184 A R H > S+ 0 0 70 45,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.862 105.1 51.4 -67.6 -34.6 -0.5 -12.1 9.2 186 185 A I H X S+ 0 0 1 -4,-1.1 4,-1.8 -3,-0.5 -2,-0.2 0.928 111.3 47.6 -64.1 -47.0 -2.6 -13.7 6.5 187 186 A L H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.942 110.2 53.3 -55.8 -48.4 -0.7 -11.6 3.9 188 187 A D H X S+ 0 0 52 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.867 105.5 53.4 -56.1 -46.7 2.6 -12.7 5.4 189 188 A W H X S+ 0 0 30 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 109.8 47.4 -56.5 -47.1 1.8 -16.4 5.2 190 189 A H H X S+ 0 0 47 -4,-1.8 4,-1.8 2,-0.2 6,-0.4 0.905 112.7 47.8 -66.0 -40.9 1.0 -16.2 1.5 191 190 A K H X S+ 0 0 83 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.937 114.5 47.8 -59.5 -47.2 4.2 -14.2 0.7 192 191 A A H < S+ 0 0 89 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.820 113.6 46.7 -64.5 -38.7 6.2 -16.7 2.8 193 192 A K H < S+ 0 0 115 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.863 128.4 20.8 -67.2 -35.4 4.6 -19.8 1.1 194 193 A T H < S- 0 0 84 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.681 88.9-123.5-115.3 -23.0 5.0 -18.6 -2.5 195 194 A G < + 0 0 61 -4,-2.6 2,-0.3 1,-0.3 -4,-0.1 0.544 56.8 150.7 73.2 7.7 7.6 -15.9 -2.9 196 195 A K - 0 0 112 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.616 40.0-150.0 -63.4 130.4 5.0 -13.6 -4.4 197 196 A T + 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.716 68.1 7.3 -88.2 -20.8 6.4 -10.2 -3.3 198 197 A S - 0 0 52 -7,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.993 44.6-158.8-158.0 155.9 3.0 -8.4 -3.1 199 198 A F - 0 0 34 -2,-0.3 5,-0.1 -3,-0.1 2,-0.1 -0.871 37.8-146.0-134.0 98.1 -0.8 -9.0 -3.2 200 199 A I > - 0 0 117 -2,-0.4 3,-2.3 3,-0.2 4,-0.2 -0.380 40.6 -47.9 -85.0 137.7 -2.1 -5.5 -4.0 201 200 A G G > S+ 0 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