==== 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 4DEF . COMPND 2 MOLECULE: FRUCTOSE-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.C.CAPODAGLI,S.D.PEGAN . 328 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.2 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 41.5 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 2 2 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 . 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 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,-2.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 166.6 -8.1 47.7 38.0 2 3 A I B -a 89 0A 27 77,-0.2 2,-0.3 86,-0.2 88,-0.2 -0.545 360.0-102.3 -62.4 138.9 -4.3 47.6 38.2 3 4 A A - 0 0 1 86,-2.6 88,-0.2 -2,-0.2 -1,-0.1 -0.512 32.1-138.1 -64.3 124.3 -3.3 44.0 39.1 4 5 A T > - 0 0 47 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.401 30.3-104.6 -69.4 162.4 -2.4 43.7 42.8 5 6 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 124.0 50.3 -56.8 -37.3 0.7 41.5 43.4 6 7 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.926 111.7 45.2 -65.3 -49.4 -1.7 38.9 44.7 7 8 A V H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 112.1 52.7 -66.6 -32.6 -3.9 39.0 41.8 8 9 A Y H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.935 109.1 49.3 -62.7 -46.1 -0.9 39.0 39.3 9 10 A A H X S+ 0 0 28 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.911 112.2 49.3 -58.0 -42.5 0.6 35.9 40.8 10 11 A E H X S+ 0 0 100 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.893 107.7 54.5 -64.9 -40.9 -2.9 34.3 40.6 11 12 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.951 112.7 42.1 -53.6 -52.5 -3.2 35.4 36.9 12 13 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.863 113.9 51.5 -67.7 -36.0 0.1 33.7 36.0 13 14 A G H X S+ 0 0 30 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.906 112.3 46.4 -66.6 -43.4 -0.6 30.6 38.1 14 15 A Q H X S+ 0 0 49 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.891 111.0 52.1 -64.8 -42.8 -4.0 30.2 36.5 15 16 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.2 4,-0.5 0.941 113.7 44.2 -55.7 -49.2 -2.5 30.7 33.0 16 17 A K H ><5S+ 0 0 35 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.929 112.7 51.1 -62.9 -47.8 0.1 28.0 33.7 17 18 A Q H 3<5S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.804 119.9 36.0 -57.7 -33.4 -2.4 25.6 35.2 18 19 A N H 3<5S- 0 0 88 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.266 110.2-115.4-111.5 9.2 -4.8 25.9 32.2 19 20 A S T <<5S+ 0 0 49 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.863 73.7 118.5 56.9 42.0 -2.1 26.2 29.4 20 21 A Y < - 0 0 9 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.799 45.3-151.4-122.1 174.4 -3.0 29.8 28.3 21 22 A A - 0 0 0 298,-1.9 235,-0.3 -2,-0.3 300,-0.2 -0.944 12.4-122.5-140.2 162.0 -0.9 33.0 28.2 22 23 A F E -b 256 0A 2 233,-2.4 235,-2.7 -2,-0.3 2,-0.3 -0.847 26.5-121.5-102.4 141.4 -1.3 36.7 28.4 23 24 A P E -b 257 0A 0 0, 0.0 25,-1.8 0, 0.0 2,-0.6 -0.612 18.6-151.4 -72.3 140.9 -0.2 39.1 25.8 24 25 A A E -bc 258 48A 0 233,-2.4 235,-2.7 -2,-0.3 2,-0.6 -0.967 17.1-154.8-114.1 109.8 2.2 41.7 27.1 25 26 A I E -bc 259 49A 0 23,-2.7 25,-2.2 -2,-0.6 2,-0.4 -0.770 10.4-132.5 -95.9 122.1 1.8 44.7 24.9 26 27 A N E - c 0 50A 11 233,-2.0 2,-0.3 -2,-0.6 25,-0.2 -0.582 31.9-176.0 -69.5 124.6 4.6 47.2 24.5 27 28 A C + 0 0 1 23,-2.3 25,-0.3 -2,-0.4 3,-0.1 -0.881 24.1 176.5-122.6 158.2 3.2 50.7 25.0 28 29 A T + 0 0 47 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.301 64.2 18.1-138.6 2.5 4.8 54.2 24.6 29 30 A S S > S- 0 0 19 1,-0.1 4,-2.5 45,-0.1 5,-0.2 -0.978 83.9 -86.6-168.4 168.3 2.0 56.7 25.3 30 31 A S H > S+ 0 0 47 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.892 124.0 51.3 -57.6 -43.3 -1.4 57.5 26.7 31 32 A E H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 111.6 44.5 -62.2 -45.2 -2.9 56.4 23.4 32 33 A T H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.900 113.6 50.4 -71.0 -39.4 -1.2 53.0 23.2 33 34 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.955 112.4 48.4 -58.0 -50.2 -1.9 52.3 26.9 34 35 A N H X S+ 0 0 35 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.913 111.4 49.5 -58.4 -42.7 -5.6 53.2 26.3 35 36 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.885 111.8 49.1 -61.6 -42.6 -5.7 50.9 23.2 36 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 112.4 45.2 -65.8 -45.7 -4.1 48.0 25.1 37 38 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.921 112.7 51.5 -68.5 -41.7 -6.5 48.2 28.1 38 39 A K H X S+ 0 0 79 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.890 108.9 52.8 -58.7 -37.9 -9.5 48.6 25.9 39 40 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.935 110.1 46.5 -61.8 -47.8 -8.3 45.5 23.9 40 41 A F H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 4,-0.3 0.936 114.4 48.3 -59.0 -46.4 -8.0 43.4 27.1 41 42 A A H ><5S+ 0 0 27 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.897 109.2 51.8 -64.6 -41.8 -11.5 44.6 28.2 42 43 A D H 3<5S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.813 112.5 46.9 -63.0 -31.3 -13.1 43.9 24.8 43 44 A A T 3<5S- 0 0 12 -4,-1.7 280,-2.6 -5,-0.2 -1,-0.3 0.409 111.2-122.0 -88.7 1.6 -11.7 40.4 25.0 44 45 A G T < 5S+ 0 0 24 -3,-1.3 281,-2.3 -4,-0.3 2,-0.3 0.884 71.1 132.7 57.4 40.4 -12.8 39.9 28.7 45 46 A S < - 0 0 0 -5,-2.8 -1,-0.2 279,-0.2 2,-0.2 -0.871 61.3-127.1-125.8 150.3 -9.2 39.2 29.5 46 47 A D + 0 0 0 275,-0.3 2,-0.3 -2,-0.3 43,-0.2 -0.492 42.0 177.4 -79.7 164.7 -6.6 40.3 32.0 47 48 A G E - d 0 89A 0 41,-2.3 43,-2.4 -2,-0.2 2,-0.4 -0.985 28.7-114.8-164.1 172.3 -3.4 41.5 30.4 48 49 A I E -cd 24 90A 0 -25,-1.8 -23,-2.7 -2,-0.3 2,-0.5 -0.962 14.6-161.4-120.5 134.8 0.0 43.0 30.7 49 50 A I E -cd 25 91A 0 41,-2.9 43,-2.3 -2,-0.4 2,-0.4 -0.972 18.4-169.9-113.3 125.4 1.3 46.4 29.6 50 51 A Q E -cd 26 92A 0 -25,-2.2 -23,-2.3 -2,-0.5 2,-0.5 -0.896 16.2-153.1-122.2 145.2 5.1 46.8 29.3 51 52 A F E - d 0 93A 0 41,-2.0 43,-2.2 -2,-0.4 -23,-0.1 -0.972 14.1-151.8-115.1 123.1 7.5 49.7 28.8 52 53 A S > - 0 0 30 -2,-0.5 4,-2.8 -25,-0.3 5,-0.2 -0.331 34.8-101.7 -77.5 169.8 10.8 49.1 27.1 53 54 A T H > S+ 0 0 25 42,-0.5 4,-2.3 2,-0.2 5,-0.1 0.935 127.4 43.4 -56.6 -45.6 13.9 51.2 27.8 54 55 A G H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.870 112.8 51.9 -69.1 -40.0 13.3 53.0 24.5 55 56 A G H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.893 111.2 47.9 -60.5 -43.6 9.5 53.3 25.1 56 57 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 10,-0.3 0.921 111.1 50.0 -64.0 -45.1 10.2 54.8 28.6 57 58 A E H < S+ 0 0 89 -4,-2.3 4,-0.4 -5,-0.2 8,-0.4 0.930 112.9 47.0 -59.0 -45.6 12.7 57.2 27.1 58 59 A F H >< S+ 0 0 135 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.908 108.5 56.2 -60.7 -44.5 10.1 58.2 24.5 59 60 A G H 3< S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 101.1 57.7 -57.3 -30.0 7.4 58.5 27.2 60 61 A S T 3< S- 0 0 16 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.611 113.3-119.2 -78.5 -12.1 9.6 61.0 29.1 61 62 A G X> - 0 0 32 -3,-1.5 4,-2.4 -4,-0.4 3,-1.6 0.126 25.1 -78.9 88.2 157.3 9.7 63.4 26.1 62 63 A L T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.694 126.6 58.6 -64.2 -22.9 12.5 64.8 23.9 63 64 A G T 34 S+ 0 0 82 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.544 120.0 24.1 -82.8 -8.8 13.4 67.3 26.6 64 65 A V T <4 - 0 0 80 -3,-1.6 -2,-0.2 -7,-0.2 -3,-0.1 0.714 68.4-174.5-121.0 -54.1 14.0 64.7 29.3 65 66 A K < + 0 0 118 -4,-2.4 2,-0.5 -8,-0.4 -8,-0.2 0.923 34.4 144.8 48.7 53.4 15.0 61.4 27.7 66 67 A D > - 0 0 66 -9,-0.3 4,-2.4 -10,-0.3 5,-0.2 -0.982 44.5-153.1-126.5 120.8 15.0 59.7 31.1 67 68 A M H > S+ 0 0 23 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.874 95.3 48.3 -61.3 -44.7 13.8 56.1 31.4 68 69 A V H > S+ 0 0 26 35,-0.5 4,-2.8 2,-0.2 5,-0.2 0.946 112.2 49.8 -62.3 -46.3 12.7 56.2 35.1 69 70 A T H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.916 113.3 45.6 -57.3 -48.6 10.8 59.5 34.5 70 71 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.909 114.2 48.0 -63.0 -44.4 8.9 58.0 31.4 71 72 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.922 115.1 44.8 -64.5 -43.3 8.1 54.7 33.1 72 73 A V H X S+ 0 0 34 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.929 113.8 49.9 -66.2 -44.0 6.8 56.4 36.2 73 74 A A H X S+ 0 0 53 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.933 115.7 42.1 -61.6 -46.7 4.8 59.0 34.2 74 75 A L H X S+ 0 0 15 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.873 113.8 52.8 -70.0 -36.5 3.2 56.3 32.0 75 76 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.909 108.9 49.6 -63.5 -41.5 2.6 54.0 35.1 76 77 A E H X S+ 0 0 88 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.920 112.1 48.3 -64.2 -42.5 0.9 56.8 36.9 77 78 A F H X S+ 0 0 64 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 111.4 50.4 -57.5 -48.3 -1.3 57.5 33.9 78 79 A T H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.851 103.9 58.9 -64.4 -35.5 -2.1 53.7 33.6 79 80 A H H X S+ 0 0 43 -4,-2.3 4,-1.1 1,-0.2 -77,-0.2 0.917 108.1 45.8 -59.3 -42.5 -3.1 53.5 37.3 80 81 A V H < S+ 0 0 106 -4,-1.5 4,-0.3 -3,-0.2 3,-0.2 0.934 117.0 43.3 -66.6 -47.8 -5.8 56.1 36.8 81 82 A I H >< S+ 0 0 39 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.918 108.8 55.4 -64.2 -46.9 -7.1 54.5 33.6 82 83 A A H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.3 5,-0.3 0.773 94.0 69.6 -65.8 -25.4 -7.1 50.9 34.7 83 84 A A T 3< S+ 0 0 71 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.700 96.2 56.3 -61.1 -19.6 -9.2 51.7 37.7 84 85 A K T < S+ 0 0 181 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.382 96.2 78.2 -95.1 2.0 -12.1 52.3 35.3 85 86 A Y S < S- 0 0 53 -3,-1.7 2,-0.2 2,-0.2 4,-0.1 -0.894 74.1-134.9-114.8 147.2 -12.0 48.9 33.6 86 87 A P S S+ 0 0 53 0, 0.0 243,-0.3 0, 0.0 2,-0.3 -0.142 81.6 77.6 -91.8 38.0 -13.3 45.5 34.9 87 88 A V S S- 0 0 4 -5,-0.3 2,-0.5 -2,-0.2 -2,-0.2 -0.927 85.6-105.9-134.5 163.1 -10.2 43.5 34.0 88 89 A N - 0 0 12 -2,-0.3 -41,-2.3 -48,-0.1 2,-0.5 -0.800 30.5-166.7 -95.3 131.3 -6.8 43.3 35.7 89 90 A V E -ad 2 47A 0 -88,-2.1 -86,-2.6 -2,-0.5 2,-0.3 -0.972 3.0-159.9-121.6 119.2 -3.9 45.1 34.1 90 91 A A E - d 0 48A 0 -43,-2.4 -41,-2.9 -2,-0.5 2,-0.4 -0.800 11.0-139.5 -98.9 142.7 -0.3 44.4 35.2 91 92 A L E + d 0 49A 0 -2,-0.3 34,-2.4 -88,-0.2 35,-1.5 -0.873 26.8 173.5-104.9 135.3 2.5 46.8 34.5 92 93 A H E -ed 126 50A 0 -43,-2.3 -41,-2.0 -2,-0.4 2,-0.4 -0.945 27.3-134.9-139.7 147.8 5.9 45.4 33.5 93 94 A T E -ed 127 51A 0 33,-1.0 35,-1.4 -2,-0.3 -41,-0.2 -0.945 27.2-140.5-106.6 139.7 9.3 46.8 32.3 94 95 A D - 0 0 9 -43,-2.2 34,-0.2 -2,-0.4 36,-0.1 -0.269 54.9 -13.5 -93.6 174.6 10.9 45.1 29.3 95 96 A H + 0 0 30 34,-0.1 -42,-0.5 1,-0.1 -1,-0.2 0.407 58.2 177.1 -12.2 106.7 14.6 44.2 28.5 96 97 A C - 0 0 0 32,-0.3 34,-2.4 -3,-0.2 -1,-0.1 -0.948 13.9-155.6-121.3 110.6 17.0 45.9 30.8 97 98 A P >> - 0 0 45 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.226 35.0 -90.9 -78.0 173.5 20.7 45.0 30.2 98 99 A K G >4 S+ 0 0 107 32,-0.3 3,-1.2 1,-0.3 4,-0.5 0.864 122.5 52.8 -54.0 -45.3 23.4 45.2 32.8 99 100 A D G 34 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.507 111.8 47.0 -77.8 -1.3 24.6 48.8 32.0 100 101 A K G X> S+ 0 0 81 -3,-1.9 3,-1.2 2,-0.1 4,-0.7 0.420 83.9 92.1-111.2 -3.3 21.0 50.1 32.4 101 102 A L G X<>S+ 0 0 0 -3,-1.2 5,-2.4 -4,-0.7 3,-0.9 0.919 86.5 50.8 -57.4 -43.1 20.1 48.4 35.7 102 103 A D G 345S+ 0 0 120 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.623 117.4 40.1 -71.6 -12.2 21.3 51.4 37.7 103 104 A S G <45S+ 0 0 49 -3,-1.2 -35,-0.5 3,-0.1 -1,-0.2 0.297 131.2 13.0-119.4 8.1 19.2 53.8 35.6 104 105 A Y T 5S+ 0 0 0 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.905 118.8 50.1 -58.5 -48.4 15.1 48.6 37.1 106 107 A R H > S+ 0 0 41 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.877 115.0 50.5 -64.3 -34.3 15.5 52.9 40.8 108 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 15,-0.2 0.903 109.0 50.7 -68.0 -40.1 12.1 51.6 39.9 109 110 A L H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.902 109.2 52.8 -59.0 -40.3 12.5 48.8 42.4 110 111 A A H X S+ 0 0 59 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.882 106.6 51.8 -64.2 -40.0 13.5 51.4 45.0 111 112 A I H X S+ 0 0 60 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.931 113.0 45.0 -61.4 -46.4 10.3 53.5 44.3 112 113 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.865 108.2 56.3 -67.9 -37.0 8.2 50.4 44.8 113 114 A A H X S+ 0 0 46 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.899 107.3 51.0 -59.6 -39.5 10.0 49.3 48.0 114 115 A Q H X S+ 0 0 102 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.917 110.4 48.2 -63.1 -45.2 9.2 52.8 49.4 115 116 A R H <>S+ 0 0 69 -4,-1.8 5,-2.7 1,-0.2 3,-0.5 0.921 113.3 47.6 -59.4 -45.6 5.5 52.3 48.5 116 117 A V H ><5S+ 0 0 37 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.886 105.6 58.3 -65.0 -40.6 5.5 48.8 50.1 117 118 A S H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.5 51.2 -59.8 -29.1 7.2 50.1 53.3 118 119 A K T 3<5S- 0 0 165 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.290 130.3 -95.8 -91.1 7.7 4.3 52.6 53.7 119 120 A G T < 5S+ 0 0 73 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.596 88.3 118.3 88.8 14.2 1.7 49.8 53.4 120 121 A G < - 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