==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-OCT-05 2D4P . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TTHA1254; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.MIZOHATA,T.UCHIKUBO,Y.KINOSHITA,T.TERADA,M.SHIROUZU,S.KURA . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 16.9 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 . 2 1.5 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 . 1 0.8 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 . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 24 0, 0.0 2,-0.3 0, 0.0 41,-0.2 0.000 360.0 360.0 360.0 136.9 23.4 16.3 11.4 2 2 A R E -A 41 0A 178 39,-2.8 39,-2.4 41,-0.1 2,-0.4 -0.921 360.0-144.8-134.3 158.6 25.2 18.8 13.5 3 3 A F E +A 40 0A 59 -2,-0.3 37,-0.2 37,-0.2 46,-0.0 -0.986 30.8 152.5-129.6 123.1 24.7 20.6 16.8 4 4 A R E -A 39 0A 69 35,-2.7 35,-3.2 -2,-0.4 2,-0.1 -0.956 47.1 -86.7-146.8 161.9 25.8 24.1 17.5 5 5 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.393 47.5-133.3 -62.8 149.6 25.2 27.3 19.5 6 6 A F - 0 0 5 31,-0.3 2,-0.2 22,-0.1 31,-0.1 -0.739 18.3-162.8-105.6 158.6 22.7 29.5 17.9 7 7 A T > - 0 0 67 -2,-0.3 3,-2.3 25,-0.0 4,-0.1 -0.727 44.3 -84.3-126.7 179.9 22.9 33.3 17.3 8 8 A E G > S+ 0 0 88 1,-0.3 3,-1.7 -2,-0.2 4,-0.2 0.812 123.8 66.9 -60.2 -28.0 20.4 36.1 16.5 9 9 A E G 3 S+ 0 0 148 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.668 94.4 60.6 -64.6 -18.3 20.7 35.1 12.8 10 10 A D G <> + 0 0 4 -3,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.302 68.1 107.9 -92.7 5.5 19.0 31.8 13.7 11 11 A L H <> S+ 0 0 42 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.932 81.9 45.7 -52.5 -49.8 15.8 33.3 15.0 12 12 A D H > S+ 0 0 128 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.880 111.1 52.8 -59.0 -42.5 13.8 32.1 11.9 13 13 A R H > S+ 0 0 63 -4,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.903 110.0 48.4 -59.7 -45.6 15.3 28.6 12.0 14 14 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 0.935 112.1 48.7 -60.1 -44.4 14.3 28.3 15.6 15 15 A N H >< S+ 0 0 47 -4,-2.3 3,-0.7 1,-0.3 4,-0.4 0.796 100.4 63.8 -73.6 -24.9 10.8 29.4 14.9 16 16 A R H 3< S+ 0 0 143 -4,-2.0 -1,-0.3 1,-0.2 3,-0.2 0.799 112.9 37.8 -62.1 -26.8 10.5 27.0 12.0 17 17 A L T << S+ 0 0 18 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.447 100.1 79.8 -95.6 -6.8 10.9 24.4 14.7 18 18 A A S X S- 0 0 3 -3,-0.7 3,-2.2 -4,-0.4 -2,-0.1 0.436 70.7-166.7 -92.5 -1.0 8.8 26.1 17.4 19 19 A G T 3 - 0 0 68 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.0 -0.253 68.8 -15.1 56.7-127.9 5.3 25.2 16.1 20 20 A K T 3 S+ 0 0 209 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.214 128.3 72.5 -94.6 11.4 2.6 27.3 17.8 21 21 A R S < S- 0 0 148 -3,-2.2 -1,-0.2 -6,-0.1 0, 0.0 -0.792 77.8-154.2-128.6 88.6 4.9 28.5 20.6 22 22 A P - 0 0 104 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.158 10.9-129.6 -68.9 153.3 7.3 31.1 19.1 23 23 A V - 0 0 8 -12,-0.2 2,-0.1 4,-0.0 -8,-0.1 -0.907 26.0-142.0 -98.5 123.3 10.7 31.9 20.5 24 24 A S > - 0 0 69 -2,-0.6 4,-2.8 1,-0.1 5,-0.2 -0.427 22.4-113.2 -79.0 163.1 11.2 35.6 20.9 25 25 A L H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 120.4 55.2 -58.5 -39.3 14.5 37.4 20.1 26 26 A G H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 109.4 45.5 -61.4 -43.6 14.7 38.1 23.9 27 27 A A H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.931 112.0 51.6 -65.4 -44.1 14.4 34.4 24.6 28 28 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.938 110.7 49.0 -57.4 -47.4 16.9 33.5 21.9 29 29 A R H X S+ 0 0 112 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.904 112.5 47.2 -60.9 -44.8 19.4 36.1 23.3 30 30 A F H X S+ 0 0 77 -4,-2.1 4,-0.7 2,-0.2 3,-0.4 0.936 115.1 44.6 -61.6 -50.1 19.0 34.8 26.9 31 31 A F H >X S+ 0 0 20 -4,-2.7 3,-0.7 1,-0.2 4,-0.5 0.848 108.2 58.1 -69.0 -31.3 19.4 31.1 26.0 32 32 A A H 3< S+ 0 0 45 -4,-2.7 3,-0.5 -5,-0.3 -1,-0.2 0.850 105.1 53.0 -61.4 -33.0 22.4 31.9 23.6 33 33 A R H 3< S+ 0 0 184 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.664 93.3 72.8 -78.2 -17.1 24.1 33.4 26.7 34 34 A T H << S- 0 0 35 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.1 0.816 88.3-138.8 -68.1 -31.2 23.7 30.3 28.9 35 35 A G S < S+ 0 0 50 -4,-0.5 -1,-0.1 -3,-0.5 -3,-0.1 0.508 88.6 82.9 75.1 9.6 26.2 28.1 27.2 36 36 A H + 0 0 14 16,-0.4 2,-0.3 -5,-0.4 17,-0.1 0.313 67.8 91.3-121.3 2.9 23.7 25.2 27.5 37 37 A S - 0 0 6 -6,-0.5 2,-0.3 14,-0.1 -31,-0.3 -0.835 51.4-179.8-114.3 141.5 21.4 25.8 24.5 38 38 A F E - B 0 50A 27 12,-1.6 12,-2.5 -2,-0.3 2,-0.4 -0.938 24.0-140.4-141.1 156.7 21.8 24.3 21.0 39 39 A L E -AB 4 49A 0 -35,-3.2 -35,-2.7 -2,-0.3 2,-0.4 -0.947 16.9-148.9-115.1 137.9 20.4 24.1 17.5 40 40 A A E +AB 3 48A 0 8,-3.0 7,-3.1 -2,-0.4 8,-1.4 -0.908 20.7 178.2-103.5 138.8 20.4 20.9 15.5 41 41 A E E -AB 2 46A 22 -39,-2.4 -39,-2.8 -2,-0.4 2,-0.6 -0.998 27.1-155.0-141.8 140.2 20.7 21.1 11.7 42 42 A E E > S- B 0 45A 84 3,-2.6 3,-2.1 -2,-0.3 2,-0.5 -0.949 86.9 -42.6-113.7 104.3 20.9 18.6 8.8 43 43 A G T 3 S- 0 0 63 -2,-0.6 -41,-0.1 1,-0.3 -2,-0.0 -0.686 122.2 -38.0 67.1-121.7 22.7 20.5 6.2 44 44 A E T 3 S+ 0 0 143 -2,-0.5 -1,-0.3 -3,-0.1 0, 0.0 0.165 112.8 113.3-118.0 15.4 20.9 23.8 6.7 45 45 A E E < S-B 42 0A 81 -3,-2.1 -3,-2.6 2,-0.0 2,-0.2 -0.772 74.3-124.5 -74.1 119.7 17.5 22.2 7.3 46 46 A P E +B 41 0A 0 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.524 34.7 175.5 -64.7 140.4 16.8 23.1 10.9 47 47 A M E - 0 0 27 -7,-3.1 24,-2.5 1,-0.4 25,-0.3 0.532 51.9 -35.6-127.3 -13.0 16.1 19.9 12.8 48 48 A G E -BC 40 70A 0 -8,-1.4 -8,-3.0 22,-0.2 -1,-0.4 -0.935 45.1-144.5 172.2 171.9 15.7 20.8 16.5 49 49 A F E -BC 39 69A 0 20,-2.1 20,-2.6 -2,-0.3 2,-0.4 -0.987 4.6-150.6-154.2 158.2 16.7 23.0 19.4 50 50 A A E -BC 38 68A 0 -12,-2.5 -12,-1.6 -2,-0.3 2,-0.6 -0.998 4.4-160.2-131.1 126.8 17.2 22.9 23.1 51 51 A L E + C 0 67A 9 16,-3.2 16,-1.8 -2,-0.4 15,-1.3 -0.957 30.5 159.3-104.6 115.0 16.7 25.8 25.5 52 52 A A E - C 0 65A 0 -2,-0.6 -16,-0.4 13,-0.3 2,-0.3 -0.956 15.6-179.6-140.3 155.5 18.5 25.1 28.7 53 53 A Q E - C 0 64A 51 11,-2.0 11,-2.7 -2,-0.3 2,-0.4 -0.994 30.7-101.2-156.4 154.5 20.0 27.0 31.7 54 54 A A E - C 0 63A 54 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.655 28.7-170.5 -83.5 133.7 21.8 26.6 34.9 55 55 A V E - C 0 62A 58 7,-3.2 7,-2.6 -2,-0.4 2,-0.2 -0.991 19.9-133.9-125.9 116.0 19.9 26.8 38.1 56 56 A W E - C 0 61A 178 -2,-0.5 5,-0.2 5,-0.2 4,-0.1 -0.517 12.6-166.2 -71.7 130.9 21.8 27.0 41.4 57 57 A Q - 0 0 117 3,-3.1 4,-0.2 -2,-0.2 -1,-0.1 0.414 59.3 -86.4 -93.2 -3.1 20.5 24.7 44.1 58 58 A G S S+ 0 0 46 2,-0.5 3,-0.1 1,-0.1 -2,-0.1 0.276 115.5 5.6 108.7 -11.0 22.5 26.3 47.0 59 59 A E S S+ 0 0 182 1,-1.0 -1,-0.1 0, 0.0 2,-0.1 0.032 129.3 43.5-159.1 -61.4 25.7 24.3 46.5 60 60 A A S S- 0 0 37 -3,-0.1 -3,-3.1 -4,-0.1 -1,-1.0 -0.394 76.6-131.3 -85.2 168.7 25.4 22.2 43.4 61 61 A T E -C 56 0A 36 30,-0.3 32,-1.7 -5,-0.2 33,-1.0 -0.931 11.2-156.8-120.5 144.3 23.9 23.4 40.1 62 62 A T E -Cd 55 94A 12 -7,-2.6 -7,-3.2 -2,-0.4 2,-0.6 -0.963 12.5-140.5-114.1 141.5 21.3 21.7 37.9 63 63 A V E -Cd 54 95A 0 31,-2.5 33,-2.5 -2,-0.4 2,-0.5 -0.924 21.4-159.7 -96.6 117.3 20.9 22.4 34.2 64 64 A L E -Cd 53 96A 44 -11,-2.7 -11,-2.0 -2,-0.6 2,-1.0 -0.882 12.7-142.7 -98.2 126.4 17.2 22.5 33.4 65 65 A V E -Cd 52 97A 5 31,-2.9 33,-0.6 -2,-0.5 -13,-0.3 -0.806 19.0-176.4 -87.0 102.3 16.1 22.0 29.8 66 66 A T E + 0 0 72 -15,-1.3 2,-0.3 -2,-1.0 -14,-0.2 0.813 67.7 4.2 -67.9 -38.0 13.2 24.4 29.6 67 67 A R E -C 51 0A 28 -16,-1.8 -16,-3.2 -3,-0.1 2,-0.4 -0.966 58.6-178.1-153.4 138.8 12.3 23.4 26.1 68 68 A I E +C 50 0A 3 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.999 6.5 177.3-139.1 135.4 13.4 20.8 23.5 69 69 A E E +C 49 0A 35 -20,-2.6 -20,-2.1 -2,-0.4 2,-0.3 -0.984 8.6 162.7-132.1 145.1 12.0 20.4 20.0 70 70 A G E -C 48 0A 24 -2,-0.3 -22,-0.2 -22,-0.3 36,-0.1 -0.940 39.0-143.4-168.6 145.7 13.1 18.0 17.4 71 71 A R S S+ 0 0 117 -24,-2.5 2,-0.3 -2,-0.3 -23,-0.1 0.486 88.3 16.3 -88.1 -6.8 12.1 16.4 14.1 72 72 A S S > S- 0 0 27 -25,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.984 77.4-107.3-156.6 160.2 13.6 13.0 14.8 73 73 A V H > S+ 0 0 26 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.920 120.6 57.6 -53.7 -43.2 15.0 10.8 17.6 74 74 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 107.5 45.5 -56.2 -47.2 18.4 11.5 16.2 75 75 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 114.7 48.1 -62.3 -45.5 18.0 15.3 16.5 76 76 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 111.5 49.9 -63.5 -44.3 16.6 14.9 20.1 77 77 A R H X S+ 0 0 92 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.916 111.2 48.1 -60.0 -44.7 19.4 12.6 21.2 78 78 A G H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.871 110.4 51.6 -68.6 -36.3 22.1 14.9 19.8 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.929 110.7 48.7 -62.8 -44.8 20.6 17.9 21.5 80 80 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.922 111.0 50.6 -61.0 -41.5 20.5 16.1 24.8 81 81 A R H X S+ 0 0 113 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.892 110.1 49.5 -63.2 -39.5 24.1 15.0 24.3 82 82 A A H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.928 112.6 47.4 -68.6 -41.7 25.2 18.6 23.6 83 83 A V H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.948 113.0 48.7 -61.5 -47.4 23.3 19.8 26.7 84 84 A V H X S+ 0 0 35 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.916 110.5 50.7 -60.2 -48.9 24.9 17.0 28.8 85 85 A K H X S+ 0 0 127 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.932 109.4 50.7 -54.7 -45.7 28.4 17.8 27.5 86 86 A S H X S+ 0 0 14 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.838 112.0 48.9 -63.4 -30.8 27.9 21.5 28.3 87 87 A A H <>S+ 0 0 2 -4,-1.8 5,-2.7 2,-0.2 4,-0.3 0.936 110.5 48.7 -73.6 -47.4 26.8 20.5 31.8 88 88 A Y H ><5S+ 0 0 182 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.951 111.0 51.9 -54.8 -46.3 29.8 18.2 32.4 89 89 A D H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.5 47.9 -64.6 -30.3 32.1 20.9 31.2 90 90 A A T 3<5S- 0 0 62 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.318 115.4-114.1 -88.1 5.1 30.6 23.4 33.6 91 91 A G T < 5 + 0 0 67 -3,-1.9 -30,-0.3 -4,-0.3 2,-0.2 0.760 56.6 167.4 64.3 28.3 30.8 21.0 36.6 92 92 A V < - 0 0 21 -5,-2.7 -1,-0.2 -6,-0.1 -30,-0.2 -0.540 33.6-143.6 -77.1 138.7 27.0 20.8 36.8 93 93 A Y S S- 0 0 178 -32,-1.7 2,-0.3 -2,-0.2 -31,-0.2 0.846 70.6 -3.8 -74.4 -40.2 25.7 17.9 39.0 94 94 A E E -d 62 0A 87 -33,-1.0 -31,-2.5 -7,-0.0 2,-0.4 -0.983 53.8-135.8-152.7 162.4 22.6 16.9 37.0 95 95 A V E -d 63 0A 29 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.976 27.3-174.7-121.4 134.9 20.5 17.7 34.0 96 96 A A E -d 64 0A 28 -33,-2.5 -31,-2.9 -2,-0.4 2,-0.3 -0.935 9.6-177.0-133.1 154.9 16.7 17.7 34.3 97 97 A L E -d 65 0A 33 -2,-0.3 2,-0.8 -33,-0.2 -31,-0.1 -0.991 28.1-128.5-149.8 142.1 13.7 18.1 32.0 98 98 A H - 0 0 118 -33,-0.6 2,-0.4 -2,-0.3 -2,-0.0 -0.866 37.8-156.7 -94.2 107.6 9.9 18.2 32.4 99 99 A L - 0 0 41 -2,-0.8 -2,-0.0 18,-0.0 3,-0.0 -0.722 20.5-145.4 -94.9 128.2 8.6 15.6 29.9 100 100 A D > - 0 0 78 -2,-0.4 3,-2.0 1,-0.1 7,-0.2 -0.854 21.7-147.4 -78.8 114.6 5.2 15.4 28.3 101 101 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.591 90.7 73.3 -69.4 -9.4 4.9 11.6 28.2 102 102 A E T 3 S+ 0 0 159 1,-0.1 2,-1.6 2,-0.0 3,-0.2 0.665 76.1 89.3 -67.0 -19.7 2.9 11.7 25.0 103 103 A R <> + 0 0 73 -3,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.606 55.0 173.1 -84.4 87.5 6.1 12.7 23.3 104 104 A K H > S+ 0 0 130 -2,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.812 73.3 55.5 -69.4 -32.6 7.4 9.2 22.4 105 105 A E H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 110.9 45.3 -65.4 -44.4 10.3 10.3 20.3 106 106 A L H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.908 111.3 52.8 -65.1 -40.9 11.6 12.4 23.2 107 107 A E H X S+ 0 0 60 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 110.6 48.2 -59.9 -44.4 11.0 9.6 25.7 108 108 A E H X S+ 0 0 120 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 112.6 47.9 -60.2 -44.8 13.0 7.3 23.4 109 109 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.897 109.6 53.0 -66.0 -41.1 15.9 9.9 23.1 110 110 A L H <>S+ 0 0 5 -4,-3.0 5,-2.5 2,-0.2 -1,-0.2 0.919 110.7 46.3 -59.7 -47.4 16.0 10.4 26.9 111 111 A K H ><5S+ 0 0 177 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 0.922 111.1 52.9 -62.4 -40.9 16.3 6.7 27.6 112 112 A A H 3<5S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.5 49.6 -66.2 -29.1 19.0 6.4 25.0 113 113 A E T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.116 123.9 -96.7-103.0 23.8 21.0 9.2 26.5 114 114 A G T < 5S+ 0 0 72 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.628 72.1 144.2 85.0 14.8 21.0 8.0 30.1 115 115 A F < - 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