==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-MAY-12 2LST . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR R.HARRIS,A.D.BANDARANAYAKE,R.BANU,J.B.BONANNO,D.A.CALARESE, . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 11.5 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 0.8 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 . 21 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.8 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 0 1 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 217 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.6 -87.2 10.9 -67.0 2 2 A S + 0 0 100 1,-0.1 2,-0.1 2,-0.0 0, 0.0 0.908 360.0 40.2 -87.3 -75.2 -88.3 12.8 -70.1 3 3 A L S S- 0 0 8 1,-0.1 2,-0.9 40,-0.1 -1,-0.1 -0.421 92.8-110.6 -75.1 150.1 -85.2 13.0 -72.4 4 4 A R + 0 0 110 51,-0.2 53,-1.6 -2,-0.1 2,-0.7 -0.732 37.3 175.6 -90.7 104.3 -83.0 9.9 -72.6 5 5 A W E +a 57 0A 86 -2,-0.9 53,-0.2 51,-0.1 51,-0.0 -0.905 14.0 164.0-106.8 103.9 -79.6 10.4 -71.0 6 6 A Y E -a 58 0A 79 51,-3.3 53,-2.9 -2,-0.7 50,-0.0 -0.692 43.0 -86.3-111.3 166.7 -77.7 7.2 -71.1 7 7 A P > - 0 0 77 0, 0.0 4,-3.3 0, 0.0 5,-0.3 -0.305 48.9 -99.1 -64.9 160.1 -74.0 6.4 -70.5 8 8 A Y H > S+ 0 0 29 51,-0.3 4,-1.9 1,-0.2 5,-0.2 0.893 122.9 47.4 -49.2 -50.7 -71.7 6.7 -73.6 9 9 A P H > S+ 0 0 93 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.927 116.5 43.2 -58.6 -46.3 -71.7 2.9 -74.2 10 10 A E H > S+ 0 0 61 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.927 109.5 56.8 -67.5 -44.3 -75.4 2.6 -74.0 11 11 A A H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.3 -1,-0.2 0.884 110.8 44.1 -55.4 -41.7 -76.1 5.7 -76.0 12 12 A L H X S+ 0 0 25 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.3 0.874 116.1 47.8 -69.7 -36.1 -74.1 4.3 -78.9 13 13 A A H X S+ 0 0 49 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.925 111.8 48.0 -73.0 -44.8 -75.8 0.9 -78.5 14 14 A L H X S+ 0 0 34 -4,-3.9 4,-1.3 2,-0.2 6,-0.2 0.914 115.7 46.2 -60.3 -43.8 -79.3 2.3 -78.3 15 15 A A H X>S+ 0 0 0 -4,-1.9 5,-2.8 -5,-0.3 4,-0.8 0.940 116.3 44.2 -63.8 -46.9 -78.6 4.4 -81.3 16 16 A Q H <5S+ 0 0 97 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.903 118.7 41.8 -65.9 -43.2 -77.1 1.6 -83.2 17 17 A A H <5S+ 0 0 82 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.624 123.6 38.0 -82.2 -15.0 -79.7 -1.0 -82.3 18 18 A H H <5S- 0 0 117 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.306 109.2-113.3-119.0 6.4 -82.7 1.4 -82.8 19 19 A G T <5S+ 0 0 56 -4,-0.8 -3,-0.2 -3,-0.4 2,-0.2 0.934 70.9 135.8 61.1 46.1 -81.5 3.3 -85.8 20 20 A R < - 0 0 96 -5,-2.8 2,-0.3 -6,-0.2 35,-0.2 -0.471 54.3-104.5-110.8-173.7 -81.1 6.6 -83.9 21 21 A M E -b 55 0A 18 33,-3.2 35,-2.9 30,-0.2 2,-0.5 -0.824 29.6-122.2-113.8 155.6 -78.5 9.3 -83.7 22 22 A V E -bC 56 85A 0 63,-3.2 63,-2.7 -2,-0.3 2,-0.7 -0.855 16.1-168.0-106.7 127.4 -76.0 9.9 -80.9 23 23 A M E -bC 57 84A 0 33,-2.5 35,-3.8 -2,-0.5 2,-0.8 -0.912 11.9-158.3-109.4 103.7 -75.7 13.1 -78.9 24 24 A V E -bC 58 83A 1 59,-3.4 59,-2.9 -2,-0.7 2,-0.8 -0.732 8.6-167.6 -85.8 108.9 -72.5 13.0 -76.9 25 25 A Y E -bC 59 82A 14 33,-2.7 35,-2.6 -2,-0.8 2,-0.6 -0.853 3.6-161.2-104.3 103.2 -72.9 15.4 -74.0 26 26 A F E +bC 60 81A 0 55,-3.0 55,-1.8 -2,-0.8 2,-0.4 -0.749 18.5 175.8 -84.2 122.2 -69.7 16.1 -72.2 27 27 A H E +b 61 0A 38 33,-2.8 35,-2.1 -2,-0.6 36,-0.5 -0.972 11.9 174.0-132.4 145.9 -70.3 17.6 -68.7 28 28 A S - 0 0 17 3,-0.4 6,-0.2 -2,-0.4 51,-0.1 -0.973 31.0-146.5-142.2 153.0 -68.1 18.6 -65.8 29 29 A E S S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 49,-0.0 0.577 104.1 63.3 -93.0 -13.7 -68.7 20.3 -62.4 30 30 A H S S+ 0 0 137 1,-0.2 -1,-0.2 2,-0.0 48,-0.1 0.518 100.0 57.4 -82.9 -7.8 -65.3 21.8 -62.7 31 31 A C > + 0 0 30 46,-0.1 3,-1.0 1,-0.1 -3,-0.4 -0.753 68.3 176.4-121.1 83.0 -66.7 23.6 -65.8 32 32 A P T 3 + 0 0 82 0, 0.0 4,-0.3 0, 0.0 -3,-0.1 0.113 54.2 97.6 -80.6 26.3 -69.7 25.5 -64.4 33 33 A Y T 3> S+ 0 0 141 46,-0.4 4,-0.5 -2,-0.2 3,-0.3 0.745 80.5 52.1 -83.7 -23.5 -70.5 27.3 -67.7 34 34 A C H X> S+ 0 0 5 -3,-1.0 4,-3.6 -6,-0.2 3,-0.5 0.815 86.8 78.8 -83.2 -30.9 -73.1 24.7 -68.7 35 35 A Q H 3> S+ 0 0 128 1,-0.3 4,-1.2 -4,-0.2 5,-0.2 0.772 93.2 52.6 -55.9 -29.8 -75.3 24.8 -65.5 36 36 A Q H 3> S+ 0 0 158 -4,-0.3 4,-1.0 -3,-0.3 5,-0.4 0.938 120.4 31.2 -69.0 -46.6 -76.9 28.1 -66.6 37 37 A M H <<>S+ 0 0 6 -3,-0.5 5,-2.4 -4,-0.5 6,-0.5 0.916 115.1 58.6 -79.5 -44.4 -77.9 26.8 -70.1 38 38 A N H <>S+ 0 0 44 -4,-3.6 5,-0.6 3,-0.2 -3,-0.2 0.883 104.6 51.3 -53.8 -46.0 -78.5 23.1 -69.1 39 39 A T H <5S+ 0 0 80 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.947 131.2 7.3 -60.5 -54.9 -81.1 23.9 -66.5 40 40 A F T X5S+ 0 0 151 -4,-1.0 4,-0.7 -5,-0.2 3,-0.2 0.925 133.7 37.5 -91.8 -69.4 -83.4 26.1 -68.7 41 41 A V T 45S+ 0 0 38 -5,-0.4 3,-0.5 -4,-0.3 6,-0.2 0.850 122.1 40.8 -59.6 -44.6 -82.3 26.1 -72.3 42 42 A L T 4 S+ 0 0 104 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.819 106.2 53.6 -57.1 -33.5 -89.4 20.9 -74.0 46 46 A G H > S+ 0 0 34 2,-0.2 4,-1.0 1,-0.1 -2,-0.0 0.944 113.1 41.0 -68.2 -48.2 -89.0 22.1 -77.5 47 47 A V H >> S+ 0 0 0 -6,-0.2 4,-1.6 1,-0.2 3,-1.1 0.964 114.7 51.7 -59.8 -53.5 -85.3 21.3 -77.6 48 48 A S H 3X S+ 0 0 16 -4,-3.2 4,-3.4 1,-0.3 -1,-0.2 0.810 102.5 61.4 -56.2 -32.2 -85.8 18.0 -75.8 49 49 A R H 3X S+ 0 0 202 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.3 0.846 102.4 50.4 -67.1 -34.3 -88.5 17.1 -78.4 50 50 A L H - b 0 27A 42 -2,-0.4 3,-0.7 -35,-0.2 6,-0.7 -0.843 6.8-162.7 -95.2 117.7 -68.5 13.0 -67.2 62 62 A V T 3 S+ 0 0 16 -35,-2.1 9,-0.2 -2,-0.7 -34,-0.1 0.757 87.2 59.6 -71.6 -23.6 -65.3 14.5 -68.4 63 63 A D T 3 S+ 0 0 59 -36,-0.5 -1,-0.2 4,-0.1 -35,-0.1 0.678 95.6 73.9 -81.4 -19.2 -63.6 14.4 -65.0 64 64 A T S <> S- 0 0 61 -3,-0.7 4,-3.6 1,-0.1 3,-0.4 -0.601 99.7 -97.9 -95.9 161.2 -64.0 10.6 -64.7 65 65 A P H > S+ 0 0 93 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.816 120.7 47.5 -49.7 -50.0 -61.9 8.1 -66.6 66 66 A E H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.926 119.7 40.1 -60.4 -44.0 -64.3 7.3 -69.4 67 67 A G H > S+ 0 0 0 -6,-0.7 4,-2.2 -3,-0.4 -5,-0.2 0.890 114.2 54.0 -69.3 -39.2 -64.9 11.0 -70.0 68 68 A Q H X S+ 0 0 101 -4,-3.6 4,-1.1 -7,-0.3 -2,-0.2 0.885 109.9 48.7 -57.7 -40.4 -61.2 11.7 -69.4 69 69 A E H X S+ 0 0 47 -4,-2.9 4,-2.9 -5,-0.3 3,-0.4 0.925 111.2 47.6 -67.7 -45.6 -60.5 9.1 -72.1 70 70 A L H X>S+ 0 0 6 -4,-2.2 4,-3.1 1,-0.3 5,-0.5 0.816 107.7 57.5 -66.4 -29.5 -62.9 10.7 -74.5 71 71 A A H <>S+ 0 0 22 -4,-2.2 5,-1.0 2,-0.2 4,-0.3 0.792 110.8 43.5 -68.8 -29.2 -61.3 14.0 -73.7 72 72 A R H <5S+ 0 0 178 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.905 118.7 44.2 -75.9 -45.7 -58.1 12.5 -74.9 73 73 A R H <5S+ 0 0 147 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.960 130.4 21.4 -65.5 -56.6 -59.6 10.9 -77.9 74 74 A Y T <5S- 0 0 42 -4,-3.1 -3,-0.2 -5,-0.1 -1,-0.2 0.607 104.7-124.1 -91.3 -12.5 -61.8 13.8 -79.1 75 75 A R T < + 0 0 214 -5,-0.5 -3,-0.2 -4,-0.3 -4,-0.2 0.974 43.7 178.3 62.3 87.2 -59.8 16.5 -77.3 76 76 A V < - 0 0 20 -5,-1.0 -1,-0.2 -8,-0.1 3,-0.0 -0.947 25.5-152.5-128.1 138.0 -62.5 18.2 -75.3 77 77 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.406 48.6 -71.4 -74.3-138.7 -62.5 21.0 -72.7 78 78 A G S S+ 0 0 13 1,-0.2 3,-0.3 2,-0.1 -16,-0.1 0.736 81.7 16.5 -91.3-104.8 -65.2 21.2 -70.0 79 79 A T S S+ 0 0 2 1,-0.3 -46,-0.4 -52,-0.1 -1,-0.2 -0.976 103.5 20.2-145.1 147.6 -68.8 21.9 -70.5 80 80 A P + 0 0 0 0, 0.0 20,-0.7 0, 0.0 2,-0.6 0.374 68.7 159.2 -90.1 131.7 -71.0 22.2 -72.4 81 81 A T E -CD 26 99A 5 -55,-1.8 -55,-3.0 -3,-0.3 2,-0.7 -0.921 16.0-172.1-114.5 108.2 -69.5 20.0 -75.1 82 82 A F E -CD 25 98A 0 16,-2.9 16,-2.5 -2,-0.6 2,-0.5 -0.880 4.1-179.6-103.1 112.5 -72.0 18.6 -77.5 83 83 A V E -CD 24 97A 1 -59,-2.9 -59,-3.4 -2,-0.7 2,-0.6 -0.954 14.1-152.5-112.5 120.7 -70.7 16.1 -80.0 84 84 A F E -C 23 0A 0 12,-2.1 11,-2.6 -2,-0.5 2,-0.4 -0.832 13.5-174.0 -99.3 118.8 -73.1 14.7 -82.5 85 85 A L E -CD 22 94A 4 -63,-2.7 -63,-3.2 -2,-0.6 9,-0.2 -0.928 8.1-157.9-114.9 132.6 -72.4 11.2 -83.9 86 86 A V E - D 0 93A 7 7,-2.7 7,-2.2 -2,-0.4 2,-0.6 -0.927 13.2-138.6-109.7 127.6 -74.4 9.5 -86.6 87 87 A P E + D 0 92A 28 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.768 34.8 166.5 -80.6 117.6 -74.4 5.7 -87.0 88 88 A K E > - D 0 91A 67 3,-2.4 2,-2.2 -2,-0.6 3,-1.8 -0.979 60.0 -35.0-142.6 124.5 -74.1 5.0 -90.7 89 89 A A T 3 S- 0 0 121 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.442 126.1 -35.4 66.5 -77.6 -73.4 1.7 -92.5 90 90 A G T 3 S+ 0 0 70 -2,-2.2 2,-0.3 1,-0.0 -1,-0.3 0.114 120.2 76.9-162.9 27.3 -70.9 0.5 -89.8 91 91 A A E < S-D 88 0A 55 -3,-1.8 -3,-2.4 -5,-0.1 2,-0.5 -0.944 71.8-114.6-142.3 161.0 -69.1 3.6 -88.6 92 92 A W E -D 87 0A 104 -2,-0.3 2,-0.5 -5,-0.2 -7,-0.0 -0.854 27.5-157.7-102.5 132.7 -69.7 6.6 -86.3 93 93 A E E -D 86 0A 36 -7,-2.2 -7,-2.7 -2,-0.5 2,-0.7 -0.938 9.7-148.4-117.9 120.5 -69.7 10.0 -87.9 94 94 A E E -D 85 0A 76 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.784 15.7-179.4 -84.3 115.0 -69.1 13.3 -86.1 95 95 A V E - 0 0 13 -11,-2.6 2,-0.2 -2,-0.7 -1,-0.1 0.295 58.7 -50.4-100.8 8.4 -71.2 15.9 -87.8 96 96 A G E - 0 0 19 -12,-0.4 -12,-2.1 2,-0.0 2,-0.4 -0.688 48.3-110.9 142.3 166.6 -70.1 18.8 -85.6 97 97 A R E -D 83 0A 97 -2,-0.2 2,-0.5 -14,-0.2 -14,-0.2 -0.996 15.1-152.8-133.8 135.7 -69.5 20.1 -82.0 98 98 A L E +D 82 0A 5 -16,-2.5 -16,-2.9 -2,-0.4 2,-0.3 -0.937 22.2 166.7-108.9 127.1 -71.4 22.7 -80.1 99 99 A F E +D 81 0A 100 -2,-0.5 -18,-0.1 -18,-0.2 -2,-0.0 -0.994 51.6 49.0-137.4 144.0 -69.5 24.6 -77.3 100 100 A G S S- 0 0 21 -20,-0.7 2,-2.5 -2,-0.3 -1,-0.1 0.571 96.1-108.9 105.3 12.6 -70.4 27.7 -75.4 101 101 A S - 0 0 12 -21,-0.5 -1,-0.1 -3,-0.1 -67,-0.1 -0.417 49.4-167.9 69.6 -73.3 -73.9 26.8 -74.5 102 102 A R - 0 0 122 -2,-2.5 2,-0.1 4,-0.1 -2,-0.1 0.272 32.6 -68.8 68.1 156.7 -75.7 29.3 -76.9 103 103 A P >> - 0 0 80 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.399 49.5-105.6 -69.2 159.1 -79.4 30.2 -76.8 104 104 A R H 3> S+ 0 0 126 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.781 119.0 69.0 -59.9 -25.5 -81.8 27.4 -77.8 105 105 A A H 3> S+ 0 0 52 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.961 108.4 33.0 -54.3 -53.8 -82.3 29.4 -81.0 106 106 A E H <> S+ 0 0 62 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.850 118.7 55.2 -72.8 -34.4 -78.7 28.6 -82.2 107 107 A F H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.916 108.7 46.7 -65.0 -43.6 -78.9 25.2 -80.5 108 108 A L H X S+ 0 0 44 -4,-3.5 4,-2.4 2,-0.2 5,-0.2 0.808 105.7 61.5 -69.8 -30.7 -82.0 24.2 -82.4 109 109 A K H X S+ 0 0 118 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.967 114.2 33.6 -55.9 -53.6 -80.4 25.5 -85.6 110 110 A E H X S+ 0 0 23 -4,-1.9 4,-4.0 2,-0.2 5,-0.3 0.886 115.0 58.6 -70.7 -38.0 -77.7 22.9 -85.3 111 111 A L H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.850 113.7 39.6 -60.1 -33.9 -80.1 20.4 -83.7 112 112 A R H X S+ 0 0 155 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.846 114.9 52.5 -80.3 -38.2 -82.1 20.7 -86.9 113 113 A Q H >X S+ 0 0 101 -4,-2.3 4,-2.9 -5,-0.2 3,-0.7 0.928 109.5 48.5 -62.9 -46.3 -79.1 20.8 -89.1 114 114 A V H 3X S+ 0 0 0 -4,-4.0 4,-1.8 1,-0.3 -1,-0.2 0.869 102.7 63.7 -60.2 -37.1 -77.7 17.6 -87.5 115 115 A C H 3< S+ 0 0 42 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.853 112.9 34.9 -54.0 -36.7 -81.2 16.1 -88.0 116 116 A V H XX S+ 0 0 74 -4,-1.1 4,-2.4 -3,-0.7 3,-2.2 0.844 107.5 67.5 -84.3 -38.3 -80.4 16.6 -91.7 117 117 A K H 3X S+ 0 0 37 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.762 81.3 79.6 -53.6 -28.6 -76.7 15.8 -91.4 118 118 A G H 3< S+ 0 0 21 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.825 119.1 9.1 -50.2 -34.4 -77.7 12.2 -90.5 119 119 A G H <4 S+ 0 0 74 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.532 130.3 58.2-119.1 -15.5 -78.1 11.6 -94.2 120 120 A A H >< S+ 0 0 49 -4,-2.4 3,-1.2 -6,-0.2 2,-0.4 0.608 77.0 103.1 -93.6 -15.2 -76.7 14.9 -95.6 121 121 A C T 3< S+ 0 0 42 -4,-2.5 3,-0.1 -5,-0.3 -26,-0.0 -0.576 71.7 50.6 -72.5 127.9 -73.2 14.5 -94.1 122 122 A G T 3 S+ 0 0 57 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.331 80.1 138.2 116.9 0.3 -70.9 13.4 -96.8 123 123 A E < + 0 0 111 -3,-1.2 -1,-0.3 1,-0.2 -3,-0.0 -0.302 10.0 116.0 -73.2 165.2 -72.0 16.1 -99.2 124 124 A G + 0 0 35 -3,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.203 47.4 103.6 143.8 -3.1 -69.5 17.9 -101.3 125 125 A H S S+ 0 0 145 1,-0.2 2,-1.3 -3,-0.1 -2,-0.1 0.923 80.3 55.2 -68.9 -47.5 -70.8 16.8 -104.7 126 126 A H S S- 0 0 151 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.741 96.8-147.4 -86.3 91.8 -72.3 20.2 -105.1 127 127 A H - 0 0 160 -2,-1.3 2,-0.3 -3,-0.1 -2,-0.1 -0.254 18.1-173.3 -65.8 147.8 -69.2 22.2 -104.6 128 128 A H - 0 0 130 2,-0.1 -1,-0.0 -4,-0.1 -2,-0.0 -0.997 28.3-151.4-144.5 139.3 -69.4 25.6 -103.0 129 129 A H 0 0 184 -2,-0.3 -2,-0.0 0, 0.0 -1,-0.0 0.307 360.0 360.0 -93.1 6.7 -66.8 28.4 -102.5 130 130 A H 0 0 221 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.166 360.0 360.0-151.8 360.0 -68.7 29.5 -99.5