==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-OCT-09 3KAO . COMPND 2 MOLECULE: TAGATOSE 1,6-DIPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU . AUTHOR C.CHANG,N.MARSHALL,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 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 . 1 0.3 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 1 0 1 0 1 0 0 2 1 1 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 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 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 1 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 S 0 0 149 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.3 32.7 48.7 96.3 2 3 A K - 0 0 62 1,-0.1 199,-0.0 2,-0.1 5,-0.0 -0.193 360.0 -95.6 -59.5 145.6 32.5 45.4 94.3 3 4 A S > - 0 0 43 1,-0.1 4,-2.4 4,-0.1 5,-0.2 -0.238 29.8-116.6 -64.0 151.6 35.7 43.3 94.3 4 5 A N H > S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.882 114.7 48.9 -53.7 -43.0 38.0 43.7 91.3 5 6 A Q H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 109.1 51.0 -70.3 -38.7 37.5 40.0 90.2 6 7 A K H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 111.9 48.9 -64.1 -40.6 33.7 40.2 90.5 7 8 A I H X S+ 0 0 47 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.951 112.0 48.7 -58.5 -49.5 33.8 43.4 88.3 8 9 A A H X S+ 0 0 30 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.874 111.3 50.3 -58.2 -42.5 36.1 41.6 85.8 9 10 A S H X S+ 0 0 8 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.893 109.4 48.9 -66.7 -39.3 33.8 38.6 85.7 10 11 A I H >X S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.6 0.889 107.2 56.8 -70.6 -35.3 30.6 40.6 85.0 11 12 A E H >< S+ 0 0 91 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.903 104.1 54.1 -54.1 -41.5 32.5 42.5 82.2 12 13 A Q H 3< S+ 0 0 97 -4,-1.6 73,-0.5 1,-0.2 -1,-0.2 0.691 108.1 49.9 -66.8 -19.8 33.1 39.0 80.7 13 14 A L H << S+ 0 0 0 -3,-0.8 8,-0.3 -4,-0.7 -1,-0.2 0.523 106.4 69.7 -91.9 -7.9 29.3 38.4 80.8 14 15 A S S << S- 0 0 12 -3,-1.1 6,-0.2 -4,-0.6 71,-0.1 -0.623 79.3-113.1-113.3 165.4 28.4 41.7 79.1 15 16 A N > - 0 0 49 4,-2.8 3,-2.1 -2,-0.2 -1,-0.1 -0.156 50.2 -79.8 -87.7-173.3 28.7 43.2 75.7 16 17 A N T 3 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.633 131.8 50.3 -70.1 -11.0 30.9 46.2 74.7 17 18 A E T 3 S- 0 0 79 2,-0.2 -1,-0.3 302,-0.0 303,-0.1 0.313 120.5-105.7-100.1 3.6 28.3 48.6 76.1 18 19 A G S < S+ 0 0 11 -3,-2.1 303,-2.6 1,-0.3 2,-0.4 0.585 75.9 139.0 81.3 10.6 28.0 46.9 79.5 19 20 A I - 0 0 3 301,-0.2 -4,-2.8 302,-0.1 2,-1.2 -0.725 57.9-129.4 -86.8 134.6 24.6 45.3 78.6 20 21 A I E +a 272 0A 1 251,-2.6 253,-2.7 -2,-0.4 2,-0.7 -0.731 33.9 173.7 -82.2 99.0 24.1 41.7 79.7 21 22 A S E +a 273 0A 9 -2,-1.2 43,-1.6 -8,-0.3 44,-0.4 -0.513 23.3 167.7-107.6 62.7 22.9 40.4 76.3 22 23 A A E -a 274 0A 3 251,-1.8 253,-2.4 -2,-0.7 2,-0.4 -0.477 37.6-137.0 -98.6 153.9 22.8 36.8 77.4 23 24 A L E -ab 275 66A 2 42,-2.7 44,-2.7 251,-0.2 2,-0.5 -0.855 19.9-151.4-104.7 126.2 21.4 33.5 76.1 24 25 A A E + b 0 67A 1 251,-1.9 44,-0.1 -2,-0.4 42,-0.0 -0.900 33.7 145.9-106.2 123.5 19.7 31.2 78.7 25 26 A F E + b 0 68A 0 42,-2.8 44,-0.6 -2,-0.5 -1,-0.1 -0.200 31.5 116.1-145.5 52.9 19.7 27.4 78.2 26 27 A D + 0 0 11 42,-0.3 42,-0.1 62,-0.0 47,-0.1 0.385 42.5 134.9 -95.0 5.9 19.9 25.8 81.7 27 28 A Q + 0 0 24 1,-0.1 42,-0.1 2,-0.1 66,-0.0 -0.268 14.4 150.5 -58.8 136.7 16.4 24.3 81.2 28 29 A R S > S+ 0 0 6 3,-0.1 4,-2.6 43,-0.0 5,-0.2 0.484 75.0 24.7-128.6 -83.6 16.2 20.7 82.2 29 30 A G H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.911 127.4 51.1 -51.6 -45.6 12.8 19.6 83.5 30 31 A A H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 108.9 49.8 -64.3 -38.7 11.2 22.4 81.4 31 32 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.919 108.2 54.1 -64.2 -41.7 13.1 21.3 78.2 32 33 A K H X S+ 0 0 79 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.911 105.6 52.7 -61.8 -38.4 11.9 17.7 78.8 33 34 A R H X S+ 0 0 165 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.890 110.2 48.5 -62.0 -39.0 8.3 18.9 78.9 34 35 A X H >< S+ 0 0 37 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.917 113.2 46.8 -64.4 -45.4 8.8 20.7 75.6 35 36 A X H >X S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 4,-0.6 0.867 101.8 65.3 -65.6 -36.4 10.4 17.6 74.0 36 37 A A H 3< S+ 0 0 60 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.722 91.1 65.4 -62.2 -21.1 7.6 15.3 75.4 37 38 A K T << S+ 0 0 167 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.698 110.2 36.3 -71.5 -16.5 5.1 17.1 73.1 38 39 A H T <4 S+ 0 0 56 -3,-2.1 2,-0.3 -4,-0.3 -2,-0.2 0.389 118.2 39.1-122.6 1.5 6.9 15.8 70.0 39 40 A Q < - 0 0 33 -4,-0.6 -1,-0.1 -3,-0.3 250,-0.0 -0.990 59.2-142.9-147.5 154.2 8.1 12.3 70.9 40 41 A T S S+ 0 0 135 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.768 79.9 82.0 -86.7 -25.8 6.7 9.3 72.8 41 42 A E S S- 0 0 126 1,-0.1 -2,-0.1 3,-0.0 3,-0.1 -0.418 89.6-105.3 -76.1 152.6 10.1 8.3 74.4 42 43 A E - 0 0 168 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.532 49.8 -99.3 -65.8 142.2 11.6 9.9 77.5 43 44 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.335 35.8-130.2 -64.1 147.0 14.5 12.2 76.4 44 45 A T > - 0 0 78 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.638 15.2-120.8 -92.5 159.0 18.1 10.8 76.7 45 46 A V H > S+ 0 0 80 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.923 116.1 51.9 -55.6 -48.6 21.0 12.5 78.3 46 47 A A H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 108.7 50.7 -59.3 -43.4 22.9 12.4 75.0 47 48 A Q H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 112.7 45.1 -56.6 -53.4 19.9 14.0 73.2 48 49 A I H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 112.1 51.7 -62.6 -46.6 19.7 16.9 75.6 49 50 A E H X S+ 0 0 62 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.912 110.5 49.4 -55.9 -44.4 23.4 17.5 75.7 50 51 A Q H X S+ 0 0 62 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.884 107.1 53.4 -68.8 -37.3 23.5 17.7 71.9 51 52 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.908 110.2 48.4 -63.1 -40.4 20.6 20.1 71.7 52 53 A K H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.907 110.0 52.7 -64.6 -39.8 22.4 22.4 74.1 53 54 A V H X S+ 0 0 11 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.926 107.0 52.3 -59.4 -45.0 25.6 22.0 71.9 54 55 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.922 111.1 46.7 -58.8 -45.1 23.7 23.0 68.8 55 56 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.921 114.8 46.3 -65.0 -44.6 22.4 26.2 70.4 56 57 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 25,-0.4 0.932 114.3 48.3 -62.0 -46.6 25.9 27.1 71.8 57 58 A E H < S+ 0 0 86 -4,-3.3 4,-0.2 -5,-0.2 -2,-0.2 0.889 121.3 33.7 -61.6 -40.7 27.6 26.4 68.5 58 59 A E H < S+ 0 0 19 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.782 128.8 27.2 -90.6 -29.4 25.1 28.4 66.4 59 60 A L H >< S+ 0 0 0 -4,-2.4 3,-2.0 -5,-0.2 -3,-0.2 0.612 91.5 84.2-115.2 -15.5 24.0 31.3 68.6 60 61 A T G >< S+ 0 0 2 -4,-1.5 3,-1.6 -5,-0.4 -3,-0.1 0.775 81.1 70.5 -66.9 -23.4 26.8 32.2 71.1 61 62 A Q G 3 S+ 0 0 105 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.700 103.4 45.7 -58.7 -17.5 28.6 34.4 68.5 62 63 A Y G < S+ 0 0 75 -3,-2.0 2,-0.3 3,-0.0 -1,-0.2 0.325 105.0 74.3-107.9 7.2 25.6 36.7 69.0 63 64 A A < - 0 0 11 -3,-1.6 -41,-0.2 -4,-0.1 3,-0.1 -0.908 68.0-143.2-122.3 148.9 25.4 36.6 72.8 64 65 A S S S- 0 0 8 -43,-1.6 21,-2.5 -2,-0.3 2,-0.3 0.739 88.5 -7.0 -78.6 -26.2 27.7 38.3 75.5 65 66 A S E - c 0 85A 0 -44,-0.4 -42,-2.7 19,-0.3 2,-0.4 -0.976 62.4-135.7-157.9 166.4 27.3 35.1 77.7 66 67 A I E -bc 23 86A 0 19,-2.1 21,-2.5 -2,-0.3 2,-0.5 -0.991 10.7-145.7-129.8 135.2 25.4 31.8 77.9 67 68 A L E +bc 24 87A 0 -44,-2.7 -42,-2.8 -2,-0.4 2,-0.3 -0.910 30.5 167.5 -95.9 125.5 23.8 30.4 81.0 68 69 A L E -bc 25 88A 0 19,-2.5 21,-2.2 -2,-0.5 -42,-0.3 -0.893 32.9-119.2-132.2 164.2 24.0 26.5 81.1 69 70 A D > - 0 0 0 -44,-0.6 4,-1.5 -2,-0.3 3,-0.2 -0.769 17.9-132.5-100.9 151.1 23.4 23.8 83.7 70 71 A P T 4 S+ 0 0 8 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.603 97.7 68.6 -79.8 -8.5 26.2 21.5 84.8 71 72 A E T 4 S- 0 0 89 1,-0.1 -22,-0.1 2,-0.1 -43,-0.0 0.913 128.5 -6.1 -75.0 -42.7 24.1 18.3 84.4 72 73 A Y T 4 S+ 0 0 30 -3,-0.2 4,-0.4 -24,-0.1 -20,-0.1 0.464 123.4 73.5-124.7 -13.3 23.8 18.4 80.6 73 74 A G X + 0 0 0 -4,-1.5 4,-2.1 1,-0.2 5,-0.1 0.408 63.4 93.3 -94.8 2.1 25.4 21.7 79.6 74 75 A L H > S+ 0 0 38 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 88.0 48.5 -66.2 -40.0 29.1 21.1 80.1 75 76 A P H > S+ 0 0 52 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.924 112.0 51.2 -61.3 -41.6 29.8 19.9 76.4 76 77 A A H 4 S+ 0 0 0 -4,-0.4 4,-0.5 1,-0.2 3,-0.3 0.867 104.8 57.1 -60.4 -38.7 27.8 23.0 75.2 77 78 A S H >< S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.901 105.4 50.5 -61.1 -38.3 30.0 25.2 77.5 78 79 A D H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.794 108.9 53.7 -65.8 -27.5 33.1 23.9 75.7 79 80 A A T 3< S+ 0 0 31 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.447 83.3 118.5 -88.0 -3.3 31.5 24.7 72.3 80 81 A R S < S- 0 0 67 -3,-1.0 -23,-0.1 -4,-0.5 -24,-0.1 -0.275 77.0 -87.7 -69.1 151.9 30.7 28.4 73.1 81 82 A N > - 0 0 54 -25,-0.4 3,-1.9 1,-0.1 -1,-0.1 -0.192 38.4-115.0 -51.7 144.1 32.2 31.3 71.1 82 83 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.757 115.6 46.2 -58.6 -24.6 35.6 32.5 72.4 83 84 A D T 3 S+ 0 0 119 -20,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.379 91.3 98.5 -98.2 3.4 34.1 35.9 73.4 84 85 A C < - 0 0 5 -3,-1.9 -19,-0.3 -19,-0.0 -20,-0.1 -0.818 66.1-141.2 -98.6 124.2 31.0 34.6 75.1 85 86 A G E -c 65 0A 4 -21,-2.5 -19,-2.1 -2,-0.5 2,-0.4 -0.159 15.0-123.4 -76.7 178.3 31.1 34.3 78.9 86 87 A L E -c 66 0A 0 -21,-0.2 35,-3.3 33,-0.2 36,-0.8 -0.986 21.0-177.2-133.1 128.3 29.6 31.5 81.0 87 88 A L E -cd 67 122A 0 -21,-2.5 -19,-2.5 -2,-0.4 2,-0.4 -0.961 16.3-155.8-111.9 143.3 27.1 31.3 83.9 88 89 A L E -cd 68 123A 0 34,-2.0 36,-2.5 -2,-0.4 -19,-0.2 -0.979 14.7-126.5-121.5 133.0 26.4 27.9 85.4 89 90 A A E - d 0 124A 0 -21,-2.2 36,-0.2 -2,-0.4 33,-0.0 -0.440 19.5-172.8 -72.6 147.6 23.1 27.1 87.3 90 91 A Y + 0 0 9 34,-1.9 17,-2.9 -2,-0.1 35,-0.2 0.611 53.2 87.4-119.9 -19.5 23.5 25.7 90.8 91 92 A E B S-I 106 0B 13 33,-0.4 15,-0.2 15,-0.3 2,-0.1 -0.475 81.7-105.7 -84.0 154.4 19.9 24.6 91.8 92 93 A K - 0 0 82 13,-2.3 13,-0.2 -2,-0.1 2,-0.1 -0.430 53.0 -88.8 -68.1 155.2 18.3 21.3 91.1 93 94 A T S S- 0 0 62 -2,-0.1 -1,-0.1 -66,-0.0 -66,-0.0 -0.406 79.6 -28.0 -73.5 141.4 15.7 21.5 88.3 94 95 A G S S- 0 0 38 -2,-0.1 2,-0.3 -3,-0.1 -2,-0.1 -0.134 80.8 -91.0 63.7-147.8 12.1 22.3 89.1 95 96 A Y - 0 0 105 9,-0.0 2,-0.7 0, 0.0 3,-0.0 -0.967 33.3 -91.5-160.3 160.4 10.5 21.5 92.5 96 97 A D > - 0 0 94 -2,-0.3 3,-1.5 1,-0.2 6,-0.3 -0.714 26.7-159.4 -82.3 112.7 8.6 18.6 94.1 97 98 A V T 3 S+ 0 0 119 -2,-0.7 -1,-0.2 1,-0.3 5,-0.0 0.760 91.9 56.4 -62.3 -23.8 4.9 19.3 93.6 98 99 A N T 3 S+ 0 0 146 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.447 95.3 75.1 -89.4 -3.2 4.2 16.9 96.6 99 100 A A S X S- 0 0 53 -3,-1.5 3,-0.7 4,-0.0 2,-0.2 -0.936 84.2-118.4-112.0 136.0 6.4 18.8 99.1 100 101 A K T 3 S+ 0 0 127 -2,-0.4 3,-0.3 1,-0.2 -2,-0.1 -0.493 85.7 21.4 -72.8 133.4 5.3 22.2 100.7 101 102 A G T 3 S- 0 0 1 -2,-0.2 -1,-0.2 1,-0.2 27,-0.1 0.305 88.3-111.5 107.1 -8.0 7.3 25.3 100.1 102 103 A R < - 0 0 38 -3,-0.7 26,-0.5 -6,-0.3 -1,-0.2 0.910 50.2-160.9 45.9 47.9 9.4 24.9 96.9 103 104 A L - 0 0 72 -3,-0.3 -1,-0.2 -7,-0.1 -7,-0.1 -0.369 16.7-107.6 -71.4 136.8 12.4 24.9 99.2 104 105 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.303 40.1 175.0 -73.3 147.5 15.8 25.6 97.6 105 106 A D - 0 0 77 -13,-0.2 -13,-2.3 -2,-0.0 2,-0.1 -0.913 22.3-134.3-157.4 114.5 18.3 22.8 97.1 106 107 A C B -I 91 0B 14 -2,-0.3 -15,-0.3 -15,-0.2 -16,-0.0 -0.392 41.1 -86.6 -67.0 150.1 21.7 22.9 95.3 107 108 A L > - 0 0 11 -17,-2.9 3,-1.5 1,-0.1 -1,-0.1 -0.344 43.0-127.6 -52.1 131.0 22.8 20.2 92.9 108 109 A V T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.727 101.9 48.1 -66.4 -24.9 24.5 17.5 95.1 109 110 A E T 3 S+ 0 0 152 2,-0.0 -1,-0.3 5,-0.0 2,-0.3 0.391 102.7 81.0 -92.5 5.3 27.8 17.2 93.3 110 111 A W < + 0 0 46 -3,-1.5 2,-0.3 -20,-0.1 3,-0.1 -0.735 42.4 171.6-121.7 156.5 28.5 20.9 93.1 111 112 A S > - 0 0 31 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.925 51.0-101.7-146.6 163.9 29.8 23.9 95.1 112 113 A A H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.910 124.3 55.6 -58.4 -37.9 30.6 27.4 94.0 113 114 A K H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 108.4 46.0 -58.4 -47.3 34.3 26.4 94.0 114 115 A R H > S+ 0 0 146 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.850 111.0 52.6 -67.2 -34.0 33.6 23.5 91.6 115 116 A L H <>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 3,-0.5 0.929 110.6 48.1 -65.5 -43.4 31.5 25.7 89.3 116 117 A K H ><5S+ 0 0 87 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.915 107.3 56.2 -58.8 -44.1 34.3 28.3 89.2 117 118 A E H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.748 100.2 59.3 -63.3 -23.7 36.8 25.4 88.4 118 119 A Q T 3<5S- 0 0 89 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.471 128.3 -98.3 -80.0 -4.6 34.6 24.5 85.4 119 120 A G T < 5 + 0 0 35 -3,-2.0 -33,-0.2 1,-0.3 -3,-0.2 0.563 66.3 160.5 102.3 9.3 35.2 28.0 84.0 120 121 A A < - 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