==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUL-06 2IYT . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.D.HARTMANN,G.P.BOURENKOV,A.OBERSCHALL,N.STRIZHOV, . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 9.7 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 . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 0 2 1 2 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 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 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 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 2 A A 0 0 59 0, 0.0 67,-0.1 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 141.9 12.1 13.4 12.7 2 3 A P - 0 0 7 0, 0.0 93,-0.5 0, 0.0 71,-0.2 -0.227 360.0-138.2 -55.4 143.6 12.9 11.3 15.7 3 4 A K S S- 0 0 108 70,-1.5 2,-0.3 69,-0.8 71,-0.2 0.880 94.2 -0.6 -61.4 -36.3 12.1 7.6 15.6 4 5 A A E -a 74 0A 0 69,-1.3 71,-2.5 92,-0.0 2,-0.6 -0.948 58.6-153.5-154.2 135.6 10.9 8.2 19.2 5 6 A V E -ab 75 96A 0 90,-2.4 92,-2.5 -2,-0.3 2,-0.4 -0.952 26.7-149.2-103.7 119.7 10.7 11.1 21.6 6 7 A L E +ab 76 97A 0 69,-3.0 71,-2.5 -2,-0.6 2,-0.3 -0.787 19.9 174.4 -94.7 135.1 10.8 9.8 25.2 7 8 A V E + b 0 98A 0 90,-2.5 92,-2.5 -2,-0.4 2,-0.3 -0.949 15.5 108.9-137.1 146.8 9.0 11.5 28.1 8 9 A G - 0 0 2 -2,-0.3 92,-0.1 69,-0.3 3,-0.1 -0.894 56.2 -67.8 164.9 175.1 8.4 10.8 31.8 9 10 A L > - 0 0 5 90,-0.5 3,-2.5 -2,-0.3 5,-0.4 -0.419 61.6 -82.0 -78.7 161.3 9.1 11.5 35.4 10 11 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 -0.327 122.8 36.8 -56.1 139.6 12.4 11.0 37.3 11 12 A G T 3 S+ 0 0 21 98,-0.1 -2,-0.0 -3,-0.1 98,-0.0 0.198 86.4 103.3 97.0 -18.4 12.4 7.3 38.2 12 13 A S S < S- 0 0 2 -3,-2.5 -5,-0.0 89,-0.1 -3,-0.0 0.606 95.0-115.1 -76.9 -11.1 10.7 6.3 35.0 13 14 A G > + 0 0 28 -4,-0.2 4,-3.1 3,-0.1 5,-0.4 0.633 62.5 152.3 89.8 16.9 14.0 5.0 33.6 14 15 A K H > + 0 0 28 -5,-0.4 4,-2.2 1,-0.2 5,-0.2 0.866 68.9 44.7 -49.4 -46.8 14.1 7.6 30.9 15 16 A S H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 118.3 41.7 -67.2 -44.4 18.0 7.8 30.6 16 17 A T H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 117.1 47.2 -72.1 -43.2 18.6 4.0 30.6 17 18 A I H X S+ 0 0 5 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.896 110.4 54.2 -63.1 -42.9 15.6 3.2 28.4 18 19 A G H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.4 -2,-0.2 0.951 111.8 43.9 -55.0 -49.8 16.7 5.9 25.9 19 20 A R H X S+ 0 0 140 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 116.1 47.1 -61.5 -47.3 20.2 4.5 25.6 20 21 A R H X S+ 0 0 109 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.864 112.8 48.2 -62.3 -42.7 18.9 1.0 25.3 21 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.911 112.0 49.3 -63.3 -45.4 16.3 1.8 22.8 22 23 A A H X>S+ 0 0 8 -4,-2.6 5,-2.3 -5,-0.3 4,-1.6 0.896 111.5 50.8 -62.4 -40.0 18.9 3.8 20.7 23 24 A K H <5S+ 0 0 181 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.925 110.6 47.7 -59.1 -45.8 21.3 0.9 20.9 24 25 A A H <5S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 118.5 40.1 -70.6 -36.1 18.7 -1.6 19.7 25 26 A L H <5S- 0 0 61 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.693 106.4-126.9 -79.3 -22.6 17.6 0.5 16.8 26 27 A G T <5 + 0 0 65 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.941 64.6 125.8 73.1 47.4 21.1 1.6 16.0 27 28 A V < - 0 0 45 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.842 62.8 -82.6-132.5 168.1 20.3 5.3 16.1 28 29 A G - 0 0 42 -2,-0.3 46,-2.4 -3,-0.1 2,-0.5 -0.388 32.0-141.7 -75.0 147.3 21.6 8.5 17.8 29 30 A L E -c 74 0A 77 44,-0.2 2,-0.5 -2,-0.1 46,-0.2 -0.963 17.8-176.4-110.5 120.6 20.6 9.6 21.3 30 31 A L E -c 75 0A 45 44,-2.4 46,-2.9 -2,-0.5 2,-0.5 -0.978 8.6-162.1-121.2 124.2 20.0 13.2 21.9 31 32 A D E > -c 76 0A 40 -2,-0.5 4,-2.6 44,-0.2 5,-0.2 -0.924 11.3-149.9-105.8 120.0 19.2 14.5 25.4 32 33 A T H > S+ 0 0 0 44,-2.3 4,-2.0 -2,-0.5 5,-0.1 0.834 95.5 54.7 -63.6 -33.4 17.7 18.1 25.4 33 34 A D H > S+ 0 0 60 43,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.954 113.2 43.3 -64.3 -46.9 19.1 19.0 28.9 34 35 A V H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.936 111.7 55.4 -63.0 -43.6 22.7 18.1 27.7 35 36 A A H X S+ 0 0 12 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.897 104.2 53.6 -58.7 -36.4 22.0 19.9 24.3 36 37 A I H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 6,-0.3 0.912 110.5 46.0 -65.5 -42.3 21.1 23.1 26.1 37 38 A E H X S+ 0 0 80 -4,-1.7 4,-2.2 1,-0.2 5,-0.3 0.901 112.3 51.5 -69.7 -36.3 24.4 23.1 28.0 38 39 A Q H < S+ 0 0 146 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.817 113.4 44.4 -68.3 -27.4 26.3 22.3 24.8 39 40 A R H < S+ 0 0 189 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.756 124.3 31.7 -89.1 -24.9 24.7 25.2 22.9 40 41 A T H < S- 0 0 45 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.658 90.2-134.1-103.0 -28.3 25.0 27.9 25.7 41 42 A G S < S+ 0 0 71 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.691 74.0 106.1 71.8 17.2 28.2 26.8 27.5 42 43 A R S S- 0 0 77 -6,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 -0.921 74.0-110.0-128.8 151.6 26.3 27.4 30.8 43 44 A S > - 0 0 54 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.440 30.0-113.8 -78.7 154.7 24.8 24.9 33.3 44 45 A I H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.932 119.7 50.8 -50.0 -47.6 21.0 24.4 33.6 45 46 A A H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 107.5 52.1 -59.3 -41.0 21.3 25.9 37.1 46 47 A D H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.897 109.7 49.2 -62.9 -44.9 23.3 29.0 35.9 47 48 A I H X>S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-1.1 0.940 112.2 47.9 -63.7 -45.9 20.7 29.8 33.3 48 49 A F H X5S+ 0 0 75 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.941 114.3 47.1 -55.7 -47.7 17.8 29.5 35.7 49 50 A A H <5S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.854 124.2 28.5 -69.6 -34.9 19.6 31.7 38.3 50 51 A T H <5S+ 0 0 80 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.830 131.5 26.6-101.8 -37.7 20.7 34.4 36.0 51 52 A D H <5S- 0 0 77 -4,-2.9 4,-0.4 -5,-0.3 -3,-0.2 0.659 105.1-125.4 -96.7 -19.4 18.2 34.6 33.1 52 53 A G X< - 0 0 28 -5,-1.1 4,-2.2 -4,-1.0 5,-0.2 -0.124 28.5 -70.5 93.0 166.8 15.2 33.2 34.9 53 54 A E H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.904 125.9 54.1 -63.8 -45.1 12.8 30.4 34.3 54 55 A Q H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 110.6 46.7 -62.4 -36.1 10.9 31.9 31.4 55 56 A E H > S+ 0 0 73 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.905 110.0 53.2 -75.1 -39.0 14.1 32.5 29.5 56 57 A F H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.952 109.1 51.6 -52.2 -45.4 15.4 29.0 30.3 57 58 A R H X S+ 0 0 31 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.844 108.0 50.1 -67.1 -34.7 12.1 27.7 28.8 58 59 A R H X S+ 0 0 117 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.940 112.0 47.9 -63.1 -46.2 12.5 29.8 25.6 59 60 A I H X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.930 113.3 48.2 -59.6 -47.2 16.0 28.5 25.1 60 61 A E H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.900 108.1 54.1 -59.6 -44.9 14.8 24.9 25.7 61 62 A E H X S+ 0 0 47 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.892 108.4 50.2 -55.4 -44.4 11.9 25.3 23.3 62 63 A D H X S+ 0 0 82 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.929 111.9 47.4 -60.5 -46.5 14.3 26.4 20.6 63 64 A V H X S+ 0 0 22 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.923 112.6 48.9 -58.4 -46.5 16.5 23.4 21.2 64 65 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.936 110.4 50.7 -64.6 -44.9 13.6 21.0 21.2 65 66 A R H X S+ 0 0 106 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.910 111.7 48.3 -57.8 -45.5 12.2 22.5 18.0 66 67 A A H X S+ 0 0 47 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.943 111.9 49.1 -58.1 -45.4 15.6 22.1 16.3 67 68 A A H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 109.8 50.8 -61.5 -42.4 16.0 18.5 17.5 68 69 A L H < S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.5 44.8 -65.8 -33.3 12.5 17.6 16.3 69 70 A A H < S+ 0 0 66 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.874 128.4 21.4 -70.7 -38.4 13.3 19.0 12.9 70 71 A D H < S+ 0 0 122 -4,-2.4 2,-0.4 -5,-0.1 -3,-0.2 0.661 97.4 89.6-117.1 -21.4 16.8 17.6 12.4 71 72 A H < - 0 0 36 -4,-2.6 4,-0.1 -5,-0.3 -41,-0.0 -0.691 41.9-174.6 -91.1 134.0 17.3 14.4 14.6 72 73 A D + 0 0 97 -2,-0.4 -69,-0.8 -70,-0.2 -1,-0.1 0.536 64.8 55.7-101.7 -9.5 16.5 11.0 13.3 73 74 A G S S- 0 0 2 -71,-0.2 -70,-1.5 1,-0.2 -69,-1.3 0.377 104.3 -34.9 -99.5-131.5 17.1 8.9 16.4 74 75 A V E -ac 4 29A 0 -46,-2.4 -44,-2.4 -71,-0.2 2,-0.5 -0.802 49.8-161.4-101.3 133.8 15.8 8.8 20.0 75 76 A L E -ac 5 30A 0 -71,-2.5 -69,-3.0 -2,-0.4 2,-0.7 -0.968 3.4-157.7-118.9 114.7 15.1 12.3 21.6 76 77 A S E -ac 6 31A 4 -46,-2.9 -44,-2.3 -2,-0.5 2,-0.5 -0.897 17.4-142.0 -97.5 116.1 15.0 12.2 25.4 77 78 A L - 0 0 0 -71,-2.5 -69,-0.3 -2,-0.7 5,-0.1 -0.676 16.0-112.9 -85.3 128.5 13.0 15.2 26.5 78 79 A G > - 0 0 1 -2,-0.5 3,-1.5 1,-0.1 4,-0.4 -0.178 35.3-105.8 -55.3 147.9 14.0 17.2 29.6 79 80 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.603 112.4 35.1 -57.5 -25.4 11.5 17.0 32.5 80 81 A G T > S+ 0 0 6 1,-0.1 3,-1.5 2,-0.1 4,-0.4 0.382 86.0 98.8-111.1 0.5 9.9 20.4 32.4 81 82 A A G X S+ 0 0 0 -3,-1.5 3,-1.8 1,-0.3 6,-0.3 0.865 77.4 61.2 -55.0 -43.7 9.9 20.9 28.6 82 83 A V G 3 S+ 0 0 0 -4,-0.4 -1,-0.3 1,-0.3 6,-0.2 0.681 86.9 72.9 -66.0 -9.5 6.3 19.9 28.3 83 84 A T G < S+ 0 0 36 -3,-1.5 -1,-0.3 4,-0.1 -2,-0.2 0.698 81.2 87.9 -73.1 -16.5 5.1 22.7 30.6 84 85 A S S X> S- 0 0 12 -3,-1.8 4,-2.0 -4,-0.4 3,-1.0 -0.740 74.2-149.4 -82.8 118.0 5.9 25.0 27.7 85 86 A P H 3> S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.885 98.4 57.7 -53.8 -38.9 2.8 25.3 25.4 86 87 A G H 3> S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.792 104.3 51.0 -63.6 -31.9 5.1 25.7 22.4 87 88 A V H <> S+ 0 0 0 -3,-1.0 4,-2.5 -6,-0.3 -1,-0.2 0.926 109.1 50.3 -65.7 -45.3 6.8 22.4 23.1 88 89 A R H X S+ 0 0 74 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.913 113.3 47.1 -64.0 -35.7 3.4 20.6 23.3 89 90 A A H >< S+ 0 0 64 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.936 110.9 50.8 -65.0 -49.4 2.5 22.2 19.9 90 91 A A H 3< S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.867 104.5 59.1 -61.8 -30.8 5.9 21.3 18.4 91 92 A L H >< S+ 0 0 3 -4,-2.5 3,-2.3 -5,-0.1 -1,-0.2 0.797 76.8 112.4 -67.6 -27.0 5.5 17.7 19.5 92 93 A A T << S+ 0 0 81 -4,-0.9 3,-0.1 -3,-0.7 50,-0.0 -0.271 80.5 23.6 -59.1 128.1 2.2 17.1 17.6 93 94 A G T 3 S+ 0 0 86 1,-0.5 -1,-0.2 3,-0.0 2,-0.2 0.293 102.2 106.1 103.1 -18.6 2.8 14.7 14.7 94 95 A H S < S- 0 0 40 -3,-2.3 2,-0.7 -4,-0.0 -1,-0.5 -0.554 82.2-100.8 -85.7 165.3 5.8 13.0 16.3 95 96 A T - 0 0 50 -93,-0.5 -90,-2.4 -2,-0.2 2,-0.5 -0.834 44.5-173.8 -85.1 111.7 6.1 9.6 17.9 96 97 A V E -b 5 0A 1 -2,-0.7 48,-3.1 -92,-0.2 49,-2.1 -0.952 8.8-163.5-123.3 112.1 6.0 10.4 21.6 97 98 A V E -bd 6 145A 0 -92,-2.5 -90,-2.5 -2,-0.5 2,-0.7 -0.851 5.2-157.5-102.5 114.0 6.6 7.5 24.1 98 99 A Y E -bd 7 146A 2 47,-2.6 49,-2.9 -2,-0.6 2,-1.1 -0.882 7.5-150.6 -96.5 111.6 5.5 8.1 27.7 99 100 A L E - d 0 147A 1 -92,-2.5 -90,-0.5 -2,-0.7 2,-0.4 -0.763 27.9-155.4 -83.0 96.9 7.2 5.9 30.2 100 101 A E E + d 0 148A 39 47,-3.0 49,-2.8 -2,-1.1 50,-0.4 -0.671 22.7 164.2 -93.3 129.7 4.4 5.8 32.7 101 102 A I - 0 0 8 -2,-0.4 2,-0.1 47,-0.2 -92,-0.1 -0.975 33.7-110.4-135.4 153.9 4.9 5.2 36.5 102 103 A S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.394 32.1-109.5 -71.3 163.6 2.8 5.6 39.6 103 104 A A H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.929 119.3 49.4 -58.2 -45.6 3.5 8.2 42.3 104 105 A A H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 110.0 48.8 -67.4 -38.3 4.5 5.4 44.7 105 106 A E H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 111.7 51.3 -62.8 -45.5 6.8 3.6 42.2 106 107 A G H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.874 108.4 50.3 -58.7 -45.9 8.5 7.0 41.5 107 108 A V H >< S+ 0 0 29 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.962 112.3 48.0 -56.7 -49.0 9.0 7.7 45.2 108 109 A R H >< S+ 0 0 128 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.862 113.1 47.4 -60.2 -39.9 10.6 4.3 45.7 109 110 A R H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.539 109.7 50.9 -82.6 -13.4 12.9 4.7 42.7 110 111 A T T << S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.259 82.5 94.4-107.6 9.6 14.2 8.1 43.3 111 112 A G S X S- 0 0 18 -3,-0.7 3,-0.5 -4,-0.4 -1,-0.1 0.602 78.4-146.8 -73.7 -15.0 15.2 7.4 47.0 112 113 A G T 3 - 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0 0 160 -3,-0.2 -3,-0.0 1,-0.0 -4,-0.0 -0.340 35.1-151.9 -73.2 149.0 8.3 -1.6 13.4 167 168 A V - 0 0 126 -2,-0.0 -2,-0.0 3,-0.0 -1,-0.0 -0.986 16.5-126.3-122.5 121.0 9.1 -0.4 9.8 168 169 A P - 0 0 114 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.243 34.7 -95.7 -56.2 152.4 8.0 -2.4 6.8 169 170 A S - 0 0 112 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.387 51.5-101.8 -64.0 143.3 10.5 -3.4 4.2 170 171 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.364 32.5-115.5 -69.5 151.2 10.4 -0.9 1.3 171 172 A S > - 0 0 68 1,-0.1 4,-1.8 -3,-0.1 0, 0.0 -0.356 29.1-107.1 -70.6 163.1 8.7 -1.7 -1.9 172 173 A E T 4 S+ 0 0 91 1,-0.2 -1,-0.1 2,-0.2 3,-0.0 0.909 122.7 56.5 -60.8 -40.3 10.7 -2.0 -5.2 173 174 A A T 4 S+ 0 0 94 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.948 105.7 50.0 -51.2 -54.1 9.1 1.3 -6.2 174 175 A A T 4 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.849 360.0 360.0 -54.5 -43.1 10.5 3.0 -3.1 175 176 A T < 0 0 138 -4,-1.8 -4,-0.0 -3,-0.0 0, 0.0 -0.292 360.0 360.0 -67.2 360.0 14.0 1.6 -3.7