==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-SEP-08 3EKL . COMPND 2 MOLECULE: FRUCTOSE-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.PEGAN,K.RUKSEREE,S.G.FRANZBLAU,A.D.MESECAR . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 2 0 0 1 0 1 0 1 0 3 1 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 2 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 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 0 0 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 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 P 0 0 56 0, 0.0 88,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 163.5 -8.1 47.9 38.2 2 3 A I B -a 89 0A 28 77,-0.2 2,-0.3 86,-0.2 88,-0.2 -0.533 360.0-102.1 -60.2 139.3 -4.3 47.8 38.3 3 4 A A - 0 0 1 86,-2.6 88,-0.2 -2,-0.2 -1,-0.1 -0.515 31.7-138.5 -64.8 125.9 -3.4 44.2 39.3 4 5 A T > - 0 0 48 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.428 30.8-104.2 -69.7 161.7 -2.4 44.0 43.0 5 6 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.900 124.3 52.0 -54.6 -37.5 0.7 41.7 43.5 6 7 A E H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.918 111.2 44.7 -67.6 -44.3 -1.7 39.1 44.8 7 8 A V H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.880 112.0 53.0 -70.5 -30.7 -4.0 39.2 41.8 8 9 A Y H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.931 110.0 47.4 -66.1 -42.6 -1.0 39.2 39.4 9 10 A A H X S+ 0 0 28 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.907 113.5 49.1 -63.6 -39.2 0.5 36.1 41.0 10 11 A E H X S+ 0 0 103 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.909 108.9 53.6 -66.1 -41.7 -3.0 34.5 40.8 11 12 A M H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.946 112.2 43.3 -52.9 -53.1 -3.3 35.6 37.1 12 13 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.868 113.6 51.6 -66.0 -37.1 0.0 33.9 36.3 13 14 A G H X S+ 0 0 31 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.889 111.5 47.1 -66.5 -40.6 -0.8 30.8 38.4 14 15 A Q H X S+ 0 0 50 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.904 111.9 50.2 -67.4 -42.2 -4.2 30.4 36.6 15 16 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.2 4,-0.5 0.951 113.5 46.0 -59.8 -48.3 -2.6 30.8 33.2 16 17 A K H ><5S+ 0 0 38 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.919 112.2 50.0 -60.8 -46.5 0.0 28.2 33.9 17 18 A Q H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.810 119.7 37.3 -62.1 -31.8 -2.5 25.7 35.4 18 19 A N H 3<5S- 0 0 88 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.233 110.2-115.8-110.0 9.7 -4.7 26.1 32.4 19 20 A S T <<5S+ 0 0 56 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.861 74.1 118.3 56.0 42.6 -2.1 26.4 29.6 20 21 A Y < - 0 0 9 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.781 45.2-151.9-123.3 176.0 -3.0 29.9 28.5 21 22 A A - 0 0 0 302,-2.0 239,-0.3 -2,-0.3 304,-0.2 -0.928 12.0-120.6-142.2 166.0 -1.0 33.2 28.5 22 23 A F E -b 260 0A 3 237,-2.2 239,-2.5 -2,-0.3 2,-0.2 -0.857 27.6-117.6-107.5 145.3 -1.4 36.9 28.7 23 24 A P E -b 261 0A 0 0, 0.0 25,-2.0 0, 0.0 2,-0.5 -0.572 18.3-154.8 -73.1 143.3 -0.3 39.4 26.1 24 25 A A E -bc 262 48A 0 237,-2.3 239,-2.6 -2,-0.2 2,-0.5 -0.956 17.3-158.7-117.9 106.6 2.3 41.9 27.3 25 26 A I E -bc 263 49A 0 23,-2.7 25,-2.3 -2,-0.5 2,-0.3 -0.767 13.0-131.7 -96.9 123.5 1.8 44.9 25.1 26 27 A N E - c 0 50A 12 237,-1.8 2,-0.3 -2,-0.5 25,-0.2 -0.562 32.3-175.5 -71.6 127.4 4.6 47.5 24.6 27 28 A C + 0 0 2 23,-2.4 25,-0.4 -2,-0.3 3,-0.1 -0.879 24.2 176.7-125.8 159.1 3.2 51.0 25.1 28 29 A T + 0 0 50 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.283 64.0 17.6-140.7 2.5 4.8 54.4 24.7 29 30 A S S > S- 0 0 18 1,-0.1 4,-2.5 45,-0.1 5,-0.2 -0.975 83.7 -86.5-169.1 167.7 2.0 57.0 25.4 30 31 A S H > S+ 0 0 47 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.910 124.0 51.4 -56.9 -42.5 -1.4 57.7 26.8 31 32 A E H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 111.6 44.4 -66.6 -42.5 -3.0 56.7 23.5 32 33 A T H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 113.1 50.8 -72.5 -39.6 -1.2 53.3 23.3 33 34 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.951 112.3 48.6 -56.0 -47.5 -1.9 52.5 27.0 34 35 A N H X S+ 0 0 36 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.906 111.4 49.5 -60.2 -40.8 -5.6 53.4 26.4 35 36 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.912 111.5 48.5 -66.0 -42.3 -5.6 51.1 23.3 36 37 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.956 113.0 45.7 -65.2 -49.1 -4.0 48.2 25.2 37 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.919 111.7 51.4 -63.1 -42.0 -6.4 48.4 28.2 38 39 A K H X S+ 0 0 79 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.887 108.7 54.3 -61.5 -35.4 -9.5 48.7 26.0 39 40 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.942 109.1 46.1 -61.4 -49.4 -8.3 45.7 24.1 40 41 A F H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.3 0.944 115.2 47.6 -57.3 -47.3 -8.0 43.6 27.2 41 42 A A H ><5S+ 0 0 26 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.920 109.4 51.8 -64.0 -42.5 -11.5 44.8 28.3 42 43 A D H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.813 112.3 47.9 -64.5 -28.3 -13.1 44.1 25.0 43 44 A A T 3<5S- 0 0 11 -4,-1.7 284,-2.4 -3,-0.2 -1,-0.3 0.392 111.2-121.8 -87.1 -0.5 -11.6 40.6 25.2 44 45 A G T < 5S+ 0 0 24 -3,-1.7 285,-2.4 -4,-0.3 2,-0.3 0.874 71.8 132.8 57.7 39.4 -12.9 40.1 28.8 45 46 A S < - 0 0 0 -5,-2.9 -1,-0.2 283,-0.2 2,-0.1 -0.871 61.0-128.7-124.8 148.7 -9.2 39.5 29.6 46 47 A D + 0 0 1 -2,-0.3 2,-0.3 279,-0.3 43,-0.2 -0.452 42.0 172.7 -77.7 167.6 -6.6 40.5 32.1 47 48 A G E - d 0 89A 0 41,-2.1 43,-2.5 -2,-0.1 2,-0.4 -0.989 30.1-110.6-170.0 173.7 -3.4 41.7 30.6 48 49 A I E -cd 24 90A 0 -25,-2.0 -23,-2.7 -2,-0.3 2,-0.5 -0.963 14.2-160.4-123.5 132.3 0.1 43.3 30.9 49 50 A I E -cd 25 91A 0 41,-3.0 43,-2.4 -2,-0.4 2,-0.3 -0.961 19.7-170.3-108.6 129.8 1.3 46.7 29.8 50 51 A Q E -cd 26 92A 0 -25,-2.3 -23,-2.4 -2,-0.5 2,-0.5 -0.919 16.1-152.6-125.7 146.1 5.1 47.0 29.4 51 52 A F E - d 0 93A 0 41,-1.9 43,-2.2 -2,-0.3 -23,-0.1 -0.972 12.6-152.0-116.4 123.4 7.5 49.9 28.9 52 53 A S > - 0 0 32 -2,-0.5 4,-2.9 -25,-0.4 5,-0.2 -0.347 35.0-102.8 -79.0 169.7 10.9 49.3 27.2 53 54 A T H > S+ 0 0 25 42,-0.5 4,-2.3 1,-0.2 5,-0.1 0.930 126.5 44.2 -57.9 -44.3 13.9 51.5 27.9 54 55 A G H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.874 112.4 51.6 -69.7 -38.8 13.3 53.3 24.6 55 56 A G H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.907 111.1 48.3 -63.4 -42.7 9.5 53.6 25.2 56 57 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 10,-0.3 0.922 110.8 50.3 -63.7 -43.8 10.1 55.1 28.6 57 58 A E H >< S+ 0 0 85 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.943 112.6 47.5 -57.3 -46.7 12.6 57.6 27.2 58 59 A F H >< S+ 0 0 134 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.913 108.4 55.4 -60.6 -43.1 10.1 58.5 24.5 59 60 A G H 3< S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 101.7 58.0 -61.3 -27.5 7.4 58.8 27.2 60 61 A S T << S- 0 0 17 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.591 113.4-118.7 -80.5 -11.2 9.5 61.3 29.2 61 62 A G X> - 0 0 31 -3,-1.6 4,-2.4 -4,-0.5 3,-1.8 0.165 23.9 -81.3 88.7 155.5 9.7 63.7 26.1 62 63 A L T 34 S+ 0 0 151 1,-0.3 -1,-0.1 2,-0.2 -3,-0.1 0.699 126.9 60.6 -64.1 -21.2 12.5 65.0 24.0 63 64 A G T 34 S+ 0 0 81 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.520 119.9 22.3 -83.2 -6.8 13.2 67.6 26.7 64 65 A V T <4 - 0 0 80 -3,-1.8 -2,-0.2 -7,-0.2 -3,-0.2 0.692 68.6-173.7-124.8 -55.2 13.9 65.0 29.3 65 66 A K < + 0 0 118 -4,-2.4 2,-0.5 -8,-0.4 -8,-0.2 0.921 35.2 143.4 49.5 53.7 15.0 61.7 27.8 66 67 A D > - 0 0 66 -9,-0.3 4,-2.4 -10,-0.3 5,-0.2 -0.985 45.1-152.6-127.5 122.4 15.0 59.9 31.2 67 68 A M H > S+ 0 0 25 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.888 95.4 48.4 -61.8 -45.8 13.8 56.3 31.5 68 69 A V H > S+ 0 0 26 35,-0.5 4,-2.9 1,-0.2 5,-0.3 0.954 112.1 49.7 -62.6 -46.0 12.7 56.5 35.1 69 70 A T H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 113.3 46.1 -58.3 -45.6 10.7 59.7 34.5 70 71 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.914 114.1 47.4 -65.8 -42.5 9.0 58.3 31.5 71 72 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.910 115.2 45.4 -65.3 -42.6 8.1 55.0 33.2 72 73 A V H X S+ 0 0 34 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.938 113.8 48.9 -65.7 -45.6 6.8 56.7 36.3 73 74 A A H X S+ 0 0 54 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.932 115.6 43.2 -61.7 -46.3 4.8 59.3 34.4 74 75 A L H X S+ 0 0 15 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.884 113.4 52.6 -67.8 -36.8 3.2 56.6 32.2 75 76 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.904 109.0 49.2 -63.5 -42.6 2.6 54.3 35.1 76 77 A E H X S+ 0 0 89 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.925 111.8 49.2 -64.4 -41.6 0.8 57.1 37.1 77 78 A F H X S+ 0 0 64 -4,-2.2 4,-2.1 -5,-0.2 3,-0.4 0.942 111.0 50.5 -56.0 -49.8 -1.3 57.8 34.0 78 79 A T H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.851 103.5 58.9 -62.3 -36.4 -2.1 54.0 33.7 79 80 A H H X S+ 0 0 42 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.899 108.3 45.7 -59.0 -40.4 -3.1 53.8 37.4 80 81 A V H < S+ 0 0 106 -4,-1.5 4,-0.3 -3,-0.4 -2,-0.2 0.932 117.1 43.7 -68.4 -45.7 -5.8 56.4 36.9 81 82 A I H >< S+ 0 0 40 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.939 108.6 55.2 -65.2 -48.1 -7.1 54.8 33.7 82 83 A A H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.776 94.5 69.3 -63.0 -25.4 -7.0 51.1 34.8 83 84 A A T 3< S+ 0 0 71 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.709 95.3 57.4 -62.0 -19.4 -9.2 51.9 37.8 84 85 A K T < S+ 0 0 183 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.347 95.6 76.4 -95.8 5.0 -12.1 52.5 35.4 85 86 A Y S < S- 0 0 50 -3,-1.7 4,-0.1 2,-0.2 -47,-0.0 -0.925 73.8-137.4-118.4 144.7 -12.0 49.1 33.8 86 87 A P S S+ 0 0 55 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.698 80.4 80.7 -71.3 -17.1 -13.3 45.8 35.2 87 88 A V S S- 0 0 5 -42,-0.1 2,-0.5 -50,-0.1 -2,-0.2 -0.388 86.4-104.0 -91.9 163.4 -10.2 43.7 34.2 88 89 A N - 0 0 12 -2,-0.1 -41,-2.1 -48,-0.1 2,-0.5 -0.777 31.4-166.3 -94.1 130.4 -6.8 43.5 35.9 89 90 A V E -ad 2 47A 0 -88,-2.2 -86,-2.6 -2,-0.5 2,-0.4 -0.967 2.4-161.3-120.1 116.7 -4.0 45.4 34.3 90 91 A A E - d 0 48A 0 -43,-2.5 -41,-3.0 -2,-0.5 2,-0.4 -0.785 11.0-139.3 -98.2 142.2 -0.4 44.6 35.4 91 92 A L E + d 0 49A 0 -2,-0.4 34,-2.4 -88,-0.2 35,-1.6 -0.878 26.9 172.4-103.4 134.5 2.5 47.0 34.7 92 93 A H E -ed 126 50A 0 -43,-2.4 -41,-1.9 -2,-0.4 2,-0.4 -0.936 27.7-134.5-137.7 150.9 5.9 45.7 33.6 93 94 A T E -ed 127 51A 0 33,-1.0 35,-1.4 -2,-0.3 -41,-0.2 -0.955 26.7-140.4-109.3 138.3 9.3 47.0 32.4 94 95 A D - 0 0 10 -43,-2.2 34,-0.2 -2,-0.4 36,-0.1 -0.165 55.6 -13.7 -89.0 179.0 10.9 45.3 29.4 95 96 A H + 0 0 30 34,-0.1 -42,-0.5 1,-0.1 -1,-0.2 0.317 57.9 177.0 -19.3 112.2 14.6 44.4 28.6 96 97 A C - 0 0 0 32,-0.3 34,-2.2 -3,-0.1 -1,-0.1 -0.935 13.6-157.3-124.4 107.7 17.0 46.2 31.0 97 98 A P >> - 0 0 42 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.186 36.2 -89.1 -78.9 176.2 20.7 45.2 30.4 98 99 A K G >4 S+ 0 0 110 32,-0.3 3,-1.0 1,-0.3 4,-0.4 0.858 123.4 52.9 -54.9 -43.0 23.5 45.4 32.9 99 100 A D G 34 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.508 111.4 47.2 -78.6 -1.1 24.5 49.0 32.1 100 101 A K G X> S+ 0 0 78 -3,-1.9 3,-1.1 2,-0.1 4,-0.7 0.460 82.8 92.0-113.4 -3.2 21.0 50.3 32.5 101 102 A L G X<>S+ 0 0 7 -3,-1.0 5,-2.5 -4,-0.8 3,-0.9 0.907 87.3 51.2 -56.2 -42.3 20.1 48.6 35.9 102 103 A D G 345S+ 0 0 127 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.679 117.7 38.5 -71.0 -17.3 21.3 51.7 37.8 103 104 A S G <45S+ 0 0 49 -3,-1.1 -35,-0.5 3,-0.1 -1,-0.2 0.251 132.0 13.3-118.7 11.1 19.2 54.1 35.7 104 105 A Y T 5S+ 0 0 0 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.906 118.4 50.0 -63.9 -47.2 15.2 48.9 37.2 106 107 A R H > S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 115.0 49.8 -58.7 -37.1 15.5 53.2 40.9 108 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 15,-0.2 0.908 109.4 51.3 -66.6 -40.1 12.1 51.9 40.0 109 110 A L H X S+ 0 0 12 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.918 108.5 52.8 -59.2 -41.7 12.5 49.0 42.5 110 111 A A H X S+ 0 0 60 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.875 106.0 52.9 -63.1 -38.7 13.4 51.6 45.1 111 112 A I H X S+ 0 0 57 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.931 113.1 43.8 -61.6 -46.0 10.3 53.7 44.4 112 113 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.884 108.5 57.6 -67.7 -38.6 8.1 50.5 44.9 113 114 A A H X S+ 0 0 45 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.890 107.7 48.1 -57.9 -40.2 10.1 49.5 48.0 114 115 A Q H X S+ 0 0 108 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.849 110.5 51.2 -72.5 -31.7 9.2 52.9 49.7 115 116 A R H ><>S+ 0 0 64 -4,-1.5 5,-2.6 1,-0.2 3,-0.7 0.926 112.6 46.8 -64.5 -43.9 5.5 52.5 48.7 116 117 A V H ><5S+ 0 0 37 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.809 105.4 58.6 -61.5 -30.2 5.5 49.0 50.2 117 118 A S H 3<5S+ 0 0 91 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.704 105.6 50.8 -88.0 -14.6 7.2 50.2 53.4 118 119 A K T <<5S- 0 0 169 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.216 129.5 -95.8 -99.2 7.5 4.3 52.6 53.9 119 120 A G T < 5S+ 0 0 73 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.547 88.7 114.4 90.5 8.6 1.7 49.9 53.5 120 121 A G < - 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