==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-JAN-12 4DEL . COMPND 2 MOLECULE: FRUCTOSE-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.D.PEGAN,A.D.MESECAR . 345 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 1 0.3 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 . 19 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 53 0, 0.0 88,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 164.0 -8.2 47.7 38.1 2 3 A I B -a 89 0A 27 77,-0.2 2,-0.3 86,-0.2 88,-0.2 -0.557 360.0-103.8 -65.0 138.4 -4.4 47.5 38.3 3 4 A A - 0 0 1 86,-2.7 88,-0.2 -2,-0.2 -1,-0.1 -0.533 30.1-140.3 -63.8 123.2 -3.5 43.9 39.3 4 5 A T > - 0 0 50 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.430 31.7-104.1 -70.2 161.9 -2.5 43.7 42.9 5 6 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.904 125.6 54.8 -56.5 -36.2 0.5 41.3 43.4 6 7 A E H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.905 111.4 45.5 -67.5 -29.5 -1.9 38.7 44.8 7 8 A V H > S+ 0 0 41 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.883 108.7 53.3 -85.3 -28.6 -4.0 39.0 41.6 8 9 A Y H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.940 109.3 48.2 -64.5 -43.3 -1.3 38.9 39.4 9 10 A A H X S+ 0 0 36 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.916 113.1 49.4 -63.5 -41.3 -0.1 35.6 41.0 10 11 A E H X S+ 0 0 117 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.924 108.7 53.8 -61.5 -44.2 -3.6 34.3 40.8 11 12 A M H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.947 111.5 43.9 -51.9 -53.4 -3.8 35.3 37.1 12 13 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.859 112.4 53.0 -66.1 -36.2 -0.6 33.4 36.2 13 14 A G H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.894 110.8 46.7 -64.4 -41.9 -1.6 30.4 38.3 14 15 A Q H X S+ 0 0 48 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.910 112.8 49.3 -65.1 -46.7 -5.0 30.2 36.4 15 16 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 4,-0.4 0.932 113.6 46.8 -57.5 -46.4 -3.3 30.6 33.1 16 17 A K H ><5S+ 0 0 43 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.924 112.3 49.1 -62.1 -47.3 -0.7 27.8 33.9 17 18 A Q H 3<5S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 119.5 38.1 -61.8 -33.7 -3.4 25.4 35.2 18 19 A N T 3<5S- 0 0 90 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.217 109.8-115.3-110.7 11.2 -5.6 25.8 32.2 19 20 A S T < 5S+ 0 0 59 -3,-0.9 2,-0.2 -4,-0.4 -3,-0.2 0.851 74.2 119.5 56.0 42.3 -2.9 26.1 29.5 20 21 A Y < - 0 0 6 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.768 44.7-153.0-123.2 174.6 -3.6 29.7 28.4 21 22 A A - 0 0 0 313,-2.0 250,-0.3 -2,-0.2 315,-0.2 -0.936 13.4-119.7-142.0 164.2 -1.4 32.8 28.4 22 23 A F E -b 271 0A 2 248,-2.2 250,-2.3 -2,-0.3 2,-0.2 -0.855 27.9-117.9-104.5 145.6 -1.8 36.6 28.7 23 24 A P E -b 272 0A 0 0, 0.0 25,-2.0 0, 0.0 2,-0.6 -0.575 17.9-154.2 -74.9 143.5 -0.7 39.1 26.0 24 25 A A E -bc 273 48A 0 248,-2.4 250,-2.5 -2,-0.2 2,-0.5 -0.963 17.4-160.5-116.8 106.5 2.0 41.5 27.2 25 26 A I E -bc 274 49A 0 23,-2.5 25,-2.3 -2,-0.6 2,-0.3 -0.795 13.2-132.4 -98.1 121.3 1.6 44.6 24.9 26 27 A N E - c 0 50A 9 248,-1.5 2,-0.3 -2,-0.5 25,-0.2 -0.570 31.2-175.0 -68.9 130.4 4.4 47.1 24.5 27 28 A C + 0 0 1 23,-2.5 25,-0.3 -2,-0.3 3,-0.1 -0.879 24.6 179.2-127.4 160.7 3.1 50.6 25.0 28 29 A T + 0 0 44 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.307 64.6 15.8-138.2 1.4 4.7 54.0 24.6 29 30 A S S > S- 0 0 17 1,-0.1 4,-2.6 45,-0.1 5,-0.2 -0.970 83.5 -85.1-167.5 170.0 2.0 56.6 25.3 30 31 A S H > S+ 0 0 47 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.911 124.7 50.7 -58.5 -42.8 -1.4 57.4 26.7 31 32 A E H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 111.9 45.2 -66.3 -40.6 -3.0 56.4 23.4 32 33 A T H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.916 113.2 50.1 -74.1 -40.7 -1.3 53.0 23.2 33 34 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.956 112.4 48.5 -54.9 -50.6 -2.0 52.2 26.9 34 35 A N H X S+ 0 0 36 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.904 111.5 49.7 -57.9 -41.6 -5.6 53.1 26.3 35 36 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.914 111.5 48.8 -64.0 -44.3 -5.7 50.9 23.2 36 37 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.955 112.8 45.6 -61.7 -51.3 -4.2 48.0 25.0 37 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.922 111.9 51.5 -62.2 -41.6 -6.6 48.1 28.0 38 39 A K H X S+ 0 0 77 -4,-2.3 4,-3.0 -5,-0.3 -1,-0.2 0.881 108.5 53.3 -61.3 -36.4 -9.6 48.6 25.8 39 40 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.954 109.8 47.1 -61.8 -48.7 -8.5 45.5 23.9 40 41 A F H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.946 114.8 47.0 -56.1 -48.6 -8.3 43.5 27.1 41 42 A A H ><5S+ 0 0 27 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.909 109.6 51.7 -62.8 -45.0 -11.7 44.7 28.1 42 43 A D H 3<5S+ 0 0 90 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 112.4 47.6 -61.7 -31.8 -13.3 44.0 24.8 43 44 A A T 3<5S- 0 0 12 -4,-2.0 295,-2.5 -5,-0.2 -1,-0.3 0.382 111.0-122.6 -85.9 1.1 -11.9 40.5 25.0 44 45 A G T < 5S+ 0 0 29 -3,-1.7 296,-2.4 293,-0.2 2,-0.3 0.882 71.1 131.9 55.8 42.6 -13.2 40.0 28.6 45 46 A S < - 0 0 0 -5,-2.8 -1,-0.2 294,-0.2 -2,-0.1 -0.892 61.4-126.4-129.3 148.6 -9.6 39.3 29.5 46 47 A D + 0 0 0 -2,-0.3 2,-0.3 290,-0.3 43,-0.2 -0.401 41.8 171.9 -75.1 168.2 -6.9 40.3 32.0 47 48 A G E - d 0 89A 0 41,-2.2 43,-2.4 -25,-0.1 2,-0.4 -0.990 30.5-111.1-170.5 175.2 -3.6 41.5 30.5 48 49 A I E -cd 24 90A 0 -25,-2.0 -23,-2.5 -2,-0.3 2,-0.5 -0.968 14.8-158.8-124.5 132.9 -0.2 43.0 30.8 49 50 A I E -cd 25 91A 0 41,-3.1 43,-2.4 -2,-0.4 2,-0.3 -0.962 20.3-171.0-109.8 128.8 1.1 46.4 29.7 50 51 A Q E -cd 26 92A 0 -25,-2.3 -23,-2.5 -2,-0.5 2,-0.5 -0.909 17.0-152.6-126.3 145.7 4.9 46.7 29.3 51 52 A F E - d 0 93A 0 41,-1.8 43,-2.0 -2,-0.3 -23,-0.1 -0.976 13.0-150.7-116.5 123.1 7.4 49.5 28.7 52 53 A S > - 0 0 14 -2,-0.5 4,-2.7 -25,-0.3 5,-0.2 -0.283 35.6-101.6 -76.1 169.6 10.7 48.8 27.0 53 54 A T H > S+ 0 0 18 42,-0.5 4,-2.4 1,-0.2 5,-0.1 0.948 127.3 43.6 -56.4 -47.1 13.8 50.9 27.7 54 55 A G H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.842 111.9 53.5 -67.8 -37.1 13.2 52.9 24.5 55 56 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 110.6 46.6 -63.4 -44.0 9.4 53.1 25.1 56 57 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 10,-0.2 0.923 111.4 51.1 -63.7 -44.2 10.1 54.6 28.5 57 58 A E H >< S+ 0 0 88 -4,-2.4 3,-0.6 -5,-0.2 4,-0.5 0.936 112.4 47.3 -57.3 -45.4 12.7 57.0 27.1 58 59 A F H >< S+ 0 0 136 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.906 107.6 56.2 -60.7 -44.1 10.1 58.1 24.5 59 60 A G H 3< S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.750 100.9 58.9 -61.4 -24.7 7.4 58.4 27.2 60 61 A S T << S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.607 112.3-120.7 -81.5 -15.6 9.6 60.9 29.1 61 62 A G X> - 0 0 31 -3,-1.5 4,-2.5 -4,-0.5 3,-1.6 0.116 24.6 -78.3 91.8 157.4 9.7 63.3 26.1 62 63 A L T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.707 126.9 57.5 -65.8 -22.5 12.6 64.6 23.9 63 64 A G T 34 S+ 0 0 84 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.524 120.3 25.8 -83.5 -7.8 13.4 67.2 26.6 64 65 A V T <4 - 0 0 79 -3,-1.6 -2,-0.2 -7,-0.2 -3,-0.2 0.718 68.4-176.3-120.0 -55.3 14.0 64.6 29.3 65 66 A K < + 0 0 116 -4,-2.5 2,-0.5 -8,-0.4 -8,-0.1 0.917 33.8 143.3 47.6 53.1 15.0 61.2 27.7 66 67 A D > - 0 0 64 -9,-0.3 4,-2.2 -10,-0.2 5,-0.2 -0.986 45.2-152.8-125.7 119.9 15.0 59.5 31.1 67 68 A M H > S+ 0 0 22 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.884 95.7 49.4 -59.7 -44.8 13.8 55.9 31.4 68 69 A V H > S+ 0 0 27 35,-0.5 4,-2.7 1,-0.2 5,-0.3 0.950 111.5 49.4 -61.2 -48.0 12.7 56.1 35.0 69 70 A T H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 113.5 46.0 -55.9 -46.9 10.7 59.3 34.4 70 71 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.917 114.0 47.3 -65.8 -44.0 8.9 57.9 31.4 71 72 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.910 115.2 45.8 -64.6 -42.9 8.1 54.6 33.0 72 73 A V H X S+ 0 0 35 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.939 113.9 48.6 -66.0 -46.0 6.8 56.3 36.2 73 74 A A H X S+ 0 0 55 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.937 115.6 43.1 -59.8 -48.1 4.8 58.9 34.2 74 75 A L H X S+ 0 0 15 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.871 113.5 53.2 -66.5 -36.1 3.2 56.2 32.0 75 76 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.912 109.0 48.0 -63.6 -43.9 2.6 53.9 35.0 76 77 A E H X S+ 0 0 89 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.927 111.7 50.2 -65.1 -42.4 0.8 56.7 37.0 77 78 A F H X S+ 0 0 64 -4,-2.3 4,-2.1 -5,-0.2 3,-0.2 0.941 110.8 50.5 -53.4 -49.3 -1.3 57.4 33.9 78 79 A T H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.863 103.5 58.0 -63.1 -38.1 -2.1 53.7 33.7 79 80 A H H X S+ 0 0 42 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.896 108.7 46.4 -59.5 -41.0 -3.1 53.4 37.4 80 81 A V H < S+ 0 0 106 -4,-1.6 4,-0.3 -3,-0.2 3,-0.2 0.955 117.3 42.4 -65.4 -49.3 -5.8 56.1 36.8 81 82 A I H >< S+ 0 0 40 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.937 109.6 55.4 -62.8 -48.3 -7.2 54.5 33.6 82 83 A A H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.777 94.5 68.7 -63.7 -28.1 -7.1 50.9 34.7 83 84 A A T 3< S+ 0 0 69 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.720 96.8 55.7 -59.1 -21.6 -9.3 51.7 37.8 84 85 A K T < S+ 0 0 183 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.327 95.7 77.5 -97.3 6.5 -12.2 52.4 35.3 85 86 A Y S < S- 0 0 51 -3,-1.7 4,-0.1 2,-0.2 -47,-0.0 -0.937 74.1-137.8-117.0 144.0 -12.1 48.9 33.6 86 87 A P S S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.752 80.1 81.6 -71.7 -18.8 -13.5 45.7 35.1 87 88 A V S S- 0 0 4 -50,-0.1 2,-0.5 -42,-0.1 -2,-0.2 -0.314 86.0-104.6 -87.1 162.7 -10.4 43.6 34.0 88 89 A N - 0 0 12 -48,-0.1 -41,-2.2 -2,-0.1 2,-0.5 -0.775 31.2-165.8 -92.0 130.8 -7.0 43.2 35.7 89 90 A V E -ad 2 47A 0 -88,-2.2 -86,-2.7 -2,-0.5 2,-0.4 -0.966 1.8-161.1-120.8 118.6 -4.1 45.1 34.2 90 91 A A E - d 0 48A 0 -43,-2.4 -41,-3.1 -2,-0.5 2,-0.4 -0.832 11.8-139.4 -98.4 138.8 -0.5 44.3 35.3 91 92 A L E + d 0 49A 0 -2,-0.4 34,-2.4 -88,-0.2 35,-1.7 -0.855 28.2 170.3 -99.5 134.2 2.4 46.7 34.6 92 93 A H E -ed 126 50A 0 -43,-2.4 -41,-1.8 -2,-0.4 2,-0.4 -0.916 28.9-134.0-140.0 153.8 5.8 45.3 33.5 93 94 A T E -ed 127 51A 0 33,-0.7 35,-1.5 -2,-0.3 -41,-0.2 -0.963 26.4-141.8-112.0 136.3 9.1 46.6 32.2 94 95 A D - 0 0 6 -43,-2.0 34,-0.2 -2,-0.4 36,-0.1 -0.166 56.3 -10.5 -89.2-178.1 10.7 44.8 29.1 95 96 A H + 0 0 27 34,-0.1 -42,-0.5 1,-0.1 -1,-0.2 0.328 58.9 176.7 -19.7 109.1 14.4 43.9 28.2 96 97 A C - 0 0 0 32,-0.3 34,-2.2 -3,-0.2 -1,-0.1 -0.934 13.0-159.2-122.0 106.6 16.8 45.6 30.6 97 98 A P >> - 0 0 39 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.229 35.7 -90.0 -78.4 176.3 20.4 44.6 30.0 98 99 A K G >4 S+ 0 0 108 32,-0.3 3,-1.0 1,-0.3 4,-0.4 0.864 122.4 53.5 -55.0 -46.5 23.3 44.8 32.5 99 100 A D G 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.528 111.8 46.4 -72.3 -4.0 24.4 48.4 31.6 100 101 A K G X> S+ 0 0 75 -3,-1.7 3,-0.8 2,-0.1 4,-0.6 0.430 82.8 93.3-114.9 -2.8 20.9 49.8 32.1 101 102 A L G X<>S+ 0 0 1 -3,-1.0 5,-2.3 -4,-0.7 3,-1.0 0.914 86.2 50.9 -53.6 -45.5 20.0 48.1 35.4 102 103 A D G 345S+ 0 0 121 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.691 117.7 39.1 -70.6 -17.6 21.2 51.1 37.5 103 104 A S G <45S+ 0 0 51 -3,-0.8 -35,-0.5 3,-0.1 -1,-0.2 0.264 131.6 13.8-116.2 11.7 19.1 53.5 35.4 104 105 A Y T 5S+ 0 0 0 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.920 118.9 50.8 -63.8 -45.5 15.1 48.3 36.9 106 107 A R H > S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.879 114.8 51.7 -63.1 -32.6 15.6 52.6 40.7 108 109 A L H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 15,-0.2 0.907 109.1 50.6 -66.4 -40.1 12.1 51.4 39.8 109 110 A L H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.923 108.5 52.7 -59.3 -43.4 12.5 48.5 42.3 110 111 A A H X S+ 0 0 62 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.880 106.3 53.0 -63.0 -39.0 13.6 51.1 44.9 111 112 A I H X S+ 0 0 60 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.913 112.0 45.1 -59.9 -44.6 10.4 53.2 44.2 112 113 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.888 108.4 56.4 -69.7 -37.3 8.2 50.1 44.8 113 114 A A H X S+ 0 0 45 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.898 106.9 51.1 -57.8 -41.9 10.1 49.1 47.9 114 115 A Q H X S+ 0 0 106 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.909 110.0 48.4 -61.6 -45.3 9.4 52.5 49.4 115 116 A R H ><>S+ 0 0 68 -4,-1.6 5,-2.7 1,-0.2 3,-0.5 0.903 112.7 48.3 -62.0 -41.8 5.6 52.1 48.6 116 117 A V H ><5S+ 0 0 36 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.887 104.6 59.4 -67.4 -38.6 5.6 48.7 50.2 117 118 A S H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 105.1 50.8 -60.8 -26.3 7.4 49.9 53.3 118 119 A K T <<5S- 0 0 170 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.316 130.4 -95.9 -92.6 5.2 4.5 52.4 53.8 119 120 A G T < 5S+ 0 0 71 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.591 88.3 116.7 90.9 13.3 1.9 49.6 53.5 120 121 A G < - 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