==== 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 16-OCT-06 2IRP . COMPND 2 MOLECULE: PUTATIVE ALDOLASE CLASS 2 PROTEIN AQ_1979; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.JEYAKANTHAN,D.GAYATHRI,M.YOGAVEL,D.VELMURUGAN,S.BABA,A.EBI . 411 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 15.6 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 2 0 0 3 0 1 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 5 3 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 . 2 0 0 0 0 0 2 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 N > 0 0 160 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -9.7 85.2 30.8 33.9 2 3 A V T 3 - 0 0 132 1,-0.2 3,-0.3 2,-0.1 4,-0.1 -0.342 360.0 -49.7 74.8-155.3 82.1 28.6 33.3 3 4 A E T 3> S+ 0 0 116 1,-0.2 4,-2.0 2,-0.1 3,-0.5 -0.034 95.2 116.7-107.0 26.6 78.5 30.0 33.5 4 5 A L H <> S+ 0 0 32 -3,-0.7 4,-4.1 1,-0.2 5,-0.3 0.923 72.5 60.4 -57.9 -44.5 79.0 31.7 36.9 5 6 A F H > S+ 0 0 134 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.836 104.3 50.4 -52.4 -35.8 78.3 35.0 35.1 6 7 A K H > S+ 0 0 138 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.962 116.0 39.0 -68.0 -53.5 74.9 33.6 34.2 7 8 A K H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.899 114.2 55.1 -65.4 -40.3 74.0 32.5 37.7 8 9 A F H X S+ 0 0 53 -4,-4.1 4,-2.2 1,-0.2 -1,-0.2 0.940 108.0 48.4 -58.0 -49.5 75.6 35.6 39.3 9 10 A S H X S+ 0 0 68 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.853 109.7 53.4 -60.8 -34.9 73.5 38.0 37.2 10 11 A E H X S+ 0 0 112 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.870 110.3 46.5 -68.8 -36.4 70.4 36.0 38.1 11 12 A K H X S+ 0 0 30 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.822 107.3 58.5 -74.6 -30.0 71.2 36.4 41.8 12 13 A V H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.960 110.6 41.8 -61.3 -49.2 71.8 40.1 41.2 13 14 A E H X S+ 0 0 122 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.850 114.4 52.9 -67.0 -33.3 68.3 40.5 39.9 14 15 A E H X S+ 0 0 62 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.943 112.0 44.7 -66.9 -48.0 67.0 38.3 42.6 15 16 A I H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 -2,-0.2 0.913 110.0 53.1 -64.6 -44.9 68.6 40.3 45.3 16 17 A I H X S+ 0 0 11 -4,-2.6 4,-1.8 1,-0.2 40,-0.2 0.904 113.0 46.4 -56.8 -40.9 67.7 43.7 43.9 17 18 A E H X S+ 0 0 97 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.928 110.4 51.2 -68.9 -43.4 64.0 42.5 43.9 18 19 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.912 109.0 53.6 -60.6 -39.2 64.2 41.1 47.3 19 20 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.889 106.4 50.2 -62.7 -39.7 65.6 44.4 48.5 20 21 A R H X S+ 0 0 138 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.883 112.6 48.4 -68.6 -33.7 62.7 46.4 47.0 21 22 A I H X S+ 0 0 70 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.933 111.3 48.1 -70.6 -44.7 60.3 44.1 48.7 22 23 A L H ><>S+ 0 0 1 -4,-2.7 5,-1.8 1,-0.2 3,-1.2 0.934 111.8 50.8 -59.9 -47.4 62.0 44.3 52.1 23 24 A H H ><5S+ 0 0 86 -4,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.909 101.6 60.0 -58.8 -43.9 62.1 48.1 51.9 24 25 A S H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.760 106.2 50.6 -57.5 -21.7 58.4 48.3 51.0 25 26 A R T <<5S- 0 0 118 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.515 115.4-116.5 -92.1 -6.7 57.8 46.6 54.4 26 27 A G T < 5S+ 0 0 37 -3,-2.3 -3,-0.2 -4,-0.4 -2,-0.1 0.782 80.7 121.9 76.9 24.8 60.1 49.0 56.3 27 28 A W < + 0 0 31 -5,-1.8 73,-3.4 1,-0.2 -4,-0.2 0.474 68.7 44.6 -98.8 -5.7 62.5 46.2 57.3 28 29 A V S > S- 0 0 0 -6,-0.3 3,-0.7 71,-0.2 26,-0.3 -0.403 77.3-179.9-132.8 58.3 65.7 47.6 55.7 29 30 A P G > - 0 0 56 0, 0.0 3,-2.9 0, 0.0 24,-0.1 -0.316 60.9 -16.7 -65.7 144.1 65.9 51.2 56.7 30 31 A A G 3 S- 0 0 83 1,-0.3 22,-0.1 22,-0.1 3,-0.1 0.720 130.5 -40.4 33.2 55.8 68.7 53.5 55.7 31 32 A T G < S+ 0 0 49 -3,-0.7 -1,-0.3 1,-0.2 20,-0.2 0.204 102.6 131.9 87.2 -15.3 71.3 50.8 54.7 32 33 A S < + 0 0 25 -3,-2.9 21,-0.4 68,-0.1 -1,-0.2 -0.060 51.6 33.2 -60.6 173.4 70.5 48.4 57.6 33 34 A G - 0 0 3 140,-0.3 2,-0.3 66,-0.2 66,-0.2 0.057 69.4-140.7 67.4 175.7 70.0 44.7 56.8 34 35 A N E -A 98 0A 3 64,-2.0 64,-3.0 18,-0.0 2,-0.4 -0.940 2.9-143.9-169.9 154.4 71.7 42.8 54.0 35 36 A I E -A 97 0A 0 -2,-0.3 12,-2.9 62,-0.2 2,-0.3 -0.983 13.4-176.8-133.1 139.7 70.9 40.1 51.5 36 37 A S E -AB 96 46A 0 60,-2.6 60,-2.2 -2,-0.4 2,-0.4 -0.972 4.0-170.1-135.2 151.2 72.8 37.1 50.1 37 38 A A E -AB 95 45A 0 8,-2.9 8,-3.7 -2,-0.3 2,-0.4 -1.000 31.0-109.1-141.9 140.2 72.2 34.5 47.5 38 39 A K E + B 0 44A 36 56,-3.3 6,-0.2 -2,-0.4 3,-0.1 -0.526 30.4 176.5 -69.4 122.4 74.1 31.3 46.6 39 40 A V - 0 0 4 4,-2.1 2,-0.3 1,-0.4 5,-0.2 0.850 67.0 -33.4 -91.5 -44.0 75.8 31.6 43.2 40 41 A S S S- 0 0 11 3,-2.5 -1,-0.4 -33,-0.0 3,-0.4 -0.947 72.7 -79.1-163.4 175.6 77.5 28.2 43.3 41 42 A E S S+ 0 0 166 -2,-0.3 25,-0.1 1,-0.2 3,-0.1 0.552 133.2 38.7 -64.9 -3.2 79.1 25.7 45.8 42 43 A E S S+ 0 0 91 1,-0.2 24,-0.6 23,-0.1 2,-0.3 0.577 116.8 44.8-118.9 -19.0 82.1 28.0 45.7 43 44 A Y E - C 0 65A 77 -3,-0.4 -3,-2.5 22,-0.2 -4,-2.1 -0.970 52.9-165.4-136.6 149.9 80.6 31.5 45.5 44 45 A I E -BC 38 64A 0 20,-2.1 20,-2.6 -2,-0.3 2,-0.5 -0.937 18.0-136.3-126.3 146.5 77.9 33.6 47.2 45 46 A A E +BC 37 63A 0 -8,-3.7 -8,-2.9 -2,-0.3 2,-0.4 -0.906 29.4 179.1-104.9 127.8 76.4 37.0 46.1 46 47 A I E -BC 36 62A 8 16,-3.3 16,-3.7 -2,-0.5 -10,-0.2 -0.986 30.3-112.4-136.1 143.5 75.9 39.5 48.8 47 48 A T E - C 0 61A 3 -12,-2.9 2,-0.2 -2,-0.4 14,-0.2 -0.381 42.0-104.1 -67.4 138.7 74.6 43.0 49.0 48 49 A A > - 0 0 18 12,-3.0 3,-1.6 1,-0.1 -1,-0.1 -0.502 29.4-130.0 -65.8 133.2 77.2 45.7 49.9 49 50 A S T 3 S+ 0 0 46 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.812 100.2 50.4 -57.4 -36.1 76.7 46.7 53.5 50 51 A G T 3 S+ 0 0 60 2,-0.1 2,-0.3 10,-0.0 -1,-0.3 0.385 91.7 94.9 -87.6 8.0 76.6 50.5 53.1 51 52 A K S < S- 0 0 93 -3,-1.6 2,-0.6 -20,-0.2 5,-0.1 -0.723 83.8-107.5-100.3 148.2 74.1 50.5 50.3 52 53 A H > - 0 0 56 -2,-0.3 3,-2.3 1,-0.2 -2,-0.1 -0.627 22.7-145.5 -74.9 118.8 70.4 51.0 50.7 53 54 A K G > S+ 0 0 0 -2,-0.6 3,-0.5 -21,-0.4 -1,-0.2 0.665 95.8 62.5 -58.3 -18.9 68.8 47.6 50.1 54 55 A G G 3 S+ 0 0 13 -26,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.403 108.8 38.2 -89.3 3.6 65.8 49.3 48.6 55 56 A K G < S+ 0 0 171 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 -0.079 80.5 159.9-143.3 38.0 67.7 50.9 45.7 56 57 A L < - 0 0 4 -3,-0.5 -3,-0.1 -40,-0.2 -36,-0.0 -0.241 14.6-177.6 -66.8 150.4 70.2 48.3 44.6 57 58 A T > - 0 0 62 1,-0.0 3,-3.0 -41,-0.0 4,-0.3 -0.924 47.8 -92.1-139.0 158.0 71.9 48.2 41.3 58 59 A P G > S+ 0 0 87 0, 0.0 3,-1.7 0, 0.0 -2,-0.0 0.818 122.9 63.0 -42.9 -37.9 74.4 45.6 40.0 59 60 A E G 3 S+ 0 0 151 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.702 95.7 60.3 -64.4 -18.3 77.3 47.6 41.3 60 61 A D G < S+ 0 0 9 -3,-3.0 -12,-3.0 2,-0.0 2,-0.6 0.454 87.0 90.1 -88.2 -1.7 76.1 47.2 44.9 61 62 A I E < -C 47 0A 10 -3,-1.7 2,-0.3 -4,-0.3 -14,-0.2 -0.855 61.3-161.5-101.8 124.3 76.3 43.4 44.8 62 63 A L E -C 46 0A 83 -16,-3.7 -16,-3.3 -2,-0.6 2,-0.5 -0.719 11.8-137.4-104.8 154.2 79.5 41.8 45.8 63 64 A L E +C 45 0A 44 -2,-0.3 8,-1.5 -18,-0.2 9,-0.4 -0.940 31.1 168.5-111.0 122.8 80.8 38.3 45.1 64 65 A I E -CD 44 70A 5 -20,-2.6 -20,-2.1 -2,-0.5 2,-0.2 -0.694 28.5-114.2-124.7 178.9 82.4 36.4 48.0 65 66 A D E > -C 43 0A 22 4,-2.0 3,-2.8 -22,-0.2 -22,-0.2 -0.601 42.8 -91.9-108.5 172.3 83.6 32.9 48.9 66 67 A Y T 3 S+ 0 0 40 -24,-0.6 22,-0.1 1,-0.3 -23,-0.1 0.464 126.1 63.6 -64.8 3.8 82.3 30.5 51.5 67 68 A E T 3 S- 0 0 94 2,-0.2 -1,-0.3 18,-0.0 14,-0.1 0.255 117.3-112.8-107.4 8.0 85.0 32.0 53.7 68 69 A G S < S+ 0 0 1 -3,-2.8 9,-0.4 1,-0.3 -2,-0.1 0.414 74.9 137.0 76.1 -3.4 83.3 35.4 53.6 69 70 A R - 0 0 127 7,-0.1 -4,-2.0 11,-0.1 2,-0.5 -0.579 62.5-113.3 -81.0 135.9 86.3 36.7 51.7 70 71 A P B > -D 64 0A 42 0, 0.0 3,-1.4 0, 0.0 -6,-0.3 -0.552 23.2-132.1 -70.2 118.2 85.6 39.0 48.7 71 72 A V T 3 S+ 0 0 65 -8,-1.5 -7,-0.1 -2,-0.5 3,-0.1 0.774 103.9 64.4 -38.8 -42.8 86.7 37.1 45.5 72 73 A G T 3 S- 0 0 77 -9,-0.4 -1,-0.3 1,-0.2 -8,-0.1 0.152 128.8 -85.3 -73.7 24.9 88.7 40.1 44.3 73 74 A G S < S+ 0 0 59 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.550 76.9 121.1 78.0 130.8 90.9 39.6 47.3 74 75 A G - 0 0 44 -3,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.951 57.0 -75.5 164.7 177.3 90.1 41.1 50.7 75 76 A K - 0 0 187 -2,-0.3 -7,-0.0 -6,-0.1 -6,-0.0 -0.849 49.5-108.7-105.1 137.9 89.4 40.5 54.3 76 77 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 -0.120 29.1-146.8 -60.3 158.8 86.1 39.2 55.6 77 78 A S > - 0 0 50 -9,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.721 29.6-101.1-119.5 171.6 83.6 41.3 57.5 78 79 A A H > S+ 0 0 31 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.964 122.9 44.9 -58.7 -53.6 81.1 40.5 60.2 79 80 A E H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.936 114.1 48.8 -57.2 -49.3 78.2 40.4 57.9 80 81 A T H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 113.2 48.0 -61.4 -36.0 80.1 38.3 55.3 81 82 A L H X S+ 0 0 50 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.934 110.2 52.2 -69.1 -44.6 81.2 35.9 58.0 82 83 A L H X S+ 0 0 7 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.857 110.4 46.9 -60.6 -39.8 77.7 35.6 59.4 83 84 A H H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 3,-0.5 0.966 111.1 49.6 -68.0 -52.4 76.1 34.7 56.1 84 85 A T H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.856 107.0 58.6 -53.4 -36.5 78.7 32.1 55.1 85 86 A T H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 -1,-0.3 0.928 106.7 46.7 -57.9 -46.1 78.1 30.7 58.6 86 87 A V H X S+ 0 0 1 -4,-1.5 4,-2.3 -3,-0.5 -2,-0.2 0.932 110.9 51.6 -62.9 -46.3 74.5 30.2 57.7 87 88 A Y H < S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.4 48.2 -58.6 -38.0 75.3 28.7 54.3 88 89 A K H < S+ 0 0 90 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 110.6 50.3 -71.9 -36.9 77.7 26.2 56.0 89 90 A L H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.909 120.4 33.8 -67.1 -41.5 75.2 25.2 58.7 90 91 A F >< - 0 0 13 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.3 -0.859 62.9-174.0-122.0 96.7 72.4 24.5 56.2 91 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.720 86.7 59.0 -59.8 -24.4 73.6 23.1 52.8 92 93 A E T 3 S+ 0 0 63 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.729 84.1 102.1 -77.6 -22.8 70.1 23.3 51.4 93 94 A V < + 0 0 3 -3,-1.4 87,-0.3 -7,-0.2 3,-0.1 -0.427 37.7 168.6 -66.6 132.0 69.9 27.1 52.0 94 95 A N + 0 0 54 85,-2.6 -56,-3.3 1,-0.2 2,-0.3 0.342 63.5 44.0-122.2 -0.6 70.5 29.3 48.9 95 96 A A E -AE 37 179A 0 84,-1.4 84,-1.9 -58,-0.3 2,-0.4 -0.981 56.6-166.4-152.7 137.8 69.5 32.6 50.3 96 97 A V E -AE 36 178A 0 -60,-2.2 -60,-2.6 -2,-0.3 2,-0.5 -0.978 7.1-166.8-126.7 132.4 70.1 34.6 53.5 97 98 A V E -AE 35 177A 0 80,-2.4 80,-2.0 -2,-0.4 2,-0.6 -0.967 5.6-171.0-126.5 125.9 68.2 37.7 54.6 98 99 A H E -AE 34 176A 5 -64,-3.0 -64,-2.0 -2,-0.5 2,-0.3 -0.954 13.3-177.0-113.2 116.5 69.1 40.0 57.3 99 100 A T E - E 0 175A 0 76,-1.9 76,-1.3 -2,-0.6 -71,-0.2 -0.731 18.8-160.1-110.0 164.0 66.4 42.6 58.2 100 101 A H + 0 0 45 -73,-3.4 -68,-0.1 -2,-0.3 74,-0.1 -0.583 25.6 169.6-144.1 70.5 66.6 45.5 60.7 101 102 A S > - 0 0 2 -2,-0.1 4,-2.5 -73,-0.1 5,-0.2 -0.397 47.1-113.2 -84.4 160.4 63.0 46.5 61.6 102 103 A P H > S+ 0 0 88 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.947 118.9 50.6 -58.3 -43.0 62.0 48.8 64.4 103 104 A N H > S+ 0 0 41 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.897 110.2 48.0 -60.7 -43.0 60.3 45.9 66.1 104 105 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 112.8 48.6 -64.2 -46.1 63.4 43.6 65.9 105 106 A T H X S+ 0 0 40 -4,-2.5 4,-0.7 2,-0.2 67,-0.3 0.965 114.3 46.1 -57.7 -53.0 65.6 46.4 67.2 106 107 A V H >X S+ 0 0 63 -4,-2.8 4,-1.9 -5,-0.2 3,-1.6 0.931 111.5 50.5 -56.6 -49.8 63.3 47.1 70.1 107 108 A I H 3X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.884 102.7 62.5 -56.1 -37.6 62.8 43.4 70.9 108 109 A S H 3< S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.733 111.7 38.8 -58.2 -23.3 66.7 43.2 70.9 109 110 A I H << S+ 0 0 124 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.750 122.0 34.5-101.5 -30.2 66.6 45.6 73.8 110 111 A V H < S+ 0 0 70 -4,-1.9 2,-0.3 2,-0.0 -3,-0.2 0.732 83.7 102.6-101.6 -24.3 63.7 44.7 76.0 111 112 A E < - 0 0 18 -4,-2.1 5,-0.0 -5,-0.3 89,-0.0 -0.460 48.3-169.5 -64.7 122.0 63.4 40.9 75.8 112 113 A K + 0 0 205 -2,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.877 66.0 70.1 -80.9 -39.8 64.9 39.6 79.1 113 114 A K S S- 0 0 79 2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.224 92.5-115.6 -70.9 166.4 65.0 35.9 78.1 114 115 A D S S+ 0 0 81 26,-0.0 27,-3.3 29,-0.0 2,-0.3 0.138 92.1 37.2 -93.4 23.2 67.5 34.8 75.4 115 116 A F E -H 140 0B 48 25,-0.3 2,-0.4 53,-0.1 -2,-0.2 -0.987 69.0-130.8-162.6 163.3 64.8 33.8 72.9 116 117 A V E +H 139 0B 0 23,-2.1 23,-3.3 -2,-0.3 2,-0.3 -0.960 29.0 177.9-121.1 138.4 61.4 34.7 71.6 117 118 A E E +H 138 0B 40 -2,-0.4 21,-0.2 21,-0.2 -2,-0.0 -0.959 16.6 157.9-140.3 154.5 58.7 32.1 71.3 118 119 A L - 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