==== 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 ELECTRON TRANSPORT 21-MAY-08 3D7N . COMPND 2 MOLECULE: FLAVODOXIN, WRBA-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR R.ZHANG,X.XU,J.GU,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST . 157 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.9 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 0 0 2 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A S 0 0 128 0, 0.0 155,-0.0 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 144.2 26.7 32.9 78.0 2 7 A S - 0 0 18 150,-0.2 2,-0.6 1,-0.1 154,-0.1 0.074 360.0-148.8 -71.5 148.0 26.3 29.2 77.2 3 8 A N - 0 0 58 152,-0.1 48,-2.9 46,-0.1 49,-1.4 -0.947 22.0-176.8-107.8 112.9 23.3 27.0 76.9 4 9 A T E -a 52 0A 2 -2,-0.6 25,-1.7 23,-0.3 2,-0.4 -0.900 8.8-158.6-108.8 137.5 24.1 23.4 77.9 5 10 A V E -ab 53 29A 0 47,-2.4 49,-2.6 -2,-0.4 2,-0.6 -0.980 6.6-154.3-116.8 130.8 21.6 20.6 77.7 6 11 A V E -ab 54 30A 0 23,-3.2 25,-2.8 -2,-0.4 2,-0.5 -0.943 16.0-176.3 -99.5 117.0 21.9 17.3 79.7 7 12 A V E +ab 55 31A 0 47,-2.3 49,-2.4 -2,-0.6 2,-0.3 -0.976 20.2 156.5-115.4 122.1 20.0 14.6 77.8 8 13 A Y E -ab 56 32A 18 23,-2.2 25,-2.9 -2,-0.5 2,-0.4 -0.982 39.0-139.5-148.8 155.8 19.9 11.3 79.7 9 14 A H - 0 0 8 47,-2.3 2,-0.4 -2,-0.3 25,-0.1 -0.963 17.6-166.3-114.4 136.2 18.3 8.0 80.3 10 15 A S - 0 0 36 23,-0.5 2,-0.7 -2,-0.4 47,-0.0 -0.959 10.4-174.8-121.7 117.0 17.9 6.5 83.8 11 16 A G S S+ 0 0 24 -2,-0.4 3,-0.4 1,-0.1 4,-0.3 -0.959 91.1 1.5 -94.6 113.7 17.0 2.9 84.5 12 17 A Y S S- 0 0 198 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.043 112.3 -94.3 95.3 -18.7 16.6 2.9 88.3 13 18 A G S > S+ 0 0 28 3,-0.0 4,-1.1 4,-0.0 -1,-0.2 0.490 97.6 108.2 94.5 1.9 17.3 6.6 88.8 14 19 A H H > S+ 0 0 49 -3,-0.4 4,-1.6 2,-0.2 5,-0.1 0.845 84.4 47.4 -75.5 -40.0 21.1 6.6 89.6 15 20 A T H > S+ 0 0 0 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.790 106.6 61.7 -71.4 -19.8 22.0 8.1 86.3 16 21 A H H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 104.2 46.7 -65.8 -42.7 19.1 10.7 87.1 17 22 A R H X S+ 0 0 92 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.906 112.0 50.2 -66.7 -41.0 21.0 11.9 90.2 18 23 A X H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.855 109.3 52.3 -64.8 -34.7 24.3 12.1 88.3 19 24 A A H X S+ 0 0 0 -4,-1.7 4,-3.5 2,-0.2 -2,-0.2 0.915 106.7 52.0 -67.5 -45.2 22.5 14.1 85.6 20 25 A E H X S+ 0 0 66 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.922 110.3 50.4 -54.7 -44.1 21.1 16.6 88.2 21 26 A A H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.918 113.2 43.6 -60.0 -46.1 24.7 17.0 89.4 22 27 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.950 113.2 52.7 -66.4 -46.4 26.1 17.6 85.9 23 28 A A H X>S+ 0 0 8 -4,-3.5 5,-2.2 1,-0.2 4,-0.9 0.913 108.2 52.0 -52.4 -47.8 23.1 20.0 85.2 24 29 A E H <5S+ 0 0 128 -4,-2.8 3,-0.4 3,-0.2 -1,-0.2 0.922 111.9 45.2 -53.9 -48.4 23.9 21.9 88.5 25 30 A G H <5S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 122.8 35.1 -64.6 -43.4 27.6 22.4 87.5 26 31 A A H <5S- 0 0 3 -4,-2.5 -22,-0.3 -5,-0.1 -1,-0.2 0.445 103.7-127.3 -84.7 -4.2 26.8 23.4 83.9 27 32 A E T <5 + 0 0 172 -4,-0.9 -23,-0.3 -3,-0.4 -3,-0.2 0.956 57.5 164.5 44.7 55.3 23.7 25.2 84.9 28 33 A A < - 0 0 19 -5,-2.2 2,-0.3 -6,-0.2 -23,-0.2 -0.466 43.7-114.0 -96.0 163.5 22.0 23.1 82.2 29 34 A T E -b 5 0A 70 -25,-1.7 -23,-3.2 -2,-0.1 2,-0.4 -0.720 34.4-130.1 -90.5 153.8 18.5 22.2 81.4 30 35 A L E -b 6 0A 63 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.884 23.0-177.2-110.1 136.1 17.6 18.5 81.8 31 36 A H E -b 7 0A 39 -25,-2.8 -23,-2.2 -2,-0.4 2,-0.5 -0.986 14.1-148.6-137.9 127.4 15.9 16.3 79.3 32 37 A A E -b 8 0A 52 -2,-0.4 2,-0.4 -25,-0.2 8,-0.4 -0.825 9.1-143.0-105.3 124.7 15.0 12.7 79.9 33 38 A I - 0 0 5 -25,-2.9 -23,-0.5 -2,-0.5 6,-0.2 -0.742 39.2-125.8 -72.6 126.3 14.8 9.9 77.4 34 39 A D > - 0 0 73 4,-3.1 3,-2.4 -2,-0.4 4,-0.1 -0.080 26.8 -87.0 -76.1 178.7 11.8 7.9 78.6 35 40 A A T 3 S+ 0 0 66 1,-0.3 -1,-0.1 2,-0.1 32,-0.1 0.632 129.0 52.3 -61.4 -16.1 11.6 4.2 79.5 36 41 A E T 3 S- 0 0 129 2,-0.1 -1,-0.3 31,-0.1 -2,-0.1 0.268 122.0-101.8-101.6 7.3 10.8 3.5 75.8 37 42 A G S < S+ 0 0 4 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.799 77.8 135.9 77.9 30.7 13.8 5.4 74.3 38 43 A N - 0 0 73 -4,-0.1 -4,-3.1 -6,-0.0 2,-0.4 -0.877 38.0-163.1-116.0 141.3 11.8 8.4 73.3 39 44 A L - 0 0 15 -2,-0.4 -6,-0.1 -6,-0.2 5,-0.0 -0.955 27.7-113.2-119.0 141.2 12.6 12.1 73.8 40 45 A S > - 0 0 48 -2,-0.4 4,-2.0 -8,-0.4 5,-0.2 -0.224 27.2-110.3 -68.5 169.0 10.0 14.8 73.5 41 46 A E H > S+ 0 0 144 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.802 122.4 60.0 -74.3 -25.2 10.0 17.3 70.7 42 47 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.894 104.0 50.2 -62.4 -44.5 11.0 19.8 73.3 43 48 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.957 111.7 46.5 -56.8 -51.8 14.1 17.7 74.0 44 49 A W H X S+ 0 0 56 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.882 112.7 49.1 -63.4 -42.7 15.1 17.6 70.4 45 50 A A H X S+ 0 0 61 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.925 110.4 51.8 -60.1 -45.3 14.6 21.3 69.8 46 51 A A H X S+ 0 0 20 -4,-2.2 4,-0.8 2,-0.2 3,-0.3 0.917 109.0 50.9 -57.8 -43.9 16.6 22.0 73.0 47 52 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.953 109.0 49.4 -62.0 -51.2 19.4 19.8 71.6 48 53 A D H 3< S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 116.0 45.0 -55.2 -26.0 19.5 21.6 68.2 49 54 A A H 3< S+ 0 0 70 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.499 92.6 107.4 -98.3 -2.6 19.6 25.0 70.2 50 55 A A << - 0 0 0 -3,-1.2 -46,-0.2 -4,-0.8 3,-0.1 -0.446 57.2-155.6 -77.7 144.7 22.3 24.0 72.7 51 56 A D S S+ 0 0 34 -48,-2.9 37,-2.0 1,-0.3 2,-0.3 0.633 91.0 24.9 -78.0 -24.3 25.9 25.2 72.7 52 57 A A E -ac 4 88A 0 -49,-1.4 -47,-2.4 35,-0.2 2,-0.4 -0.989 66.8-161.9-144.5 139.0 26.8 21.9 74.6 53 58 A I E -ac 5 89A 0 35,-2.1 37,-1.5 -2,-0.3 2,-0.5 -0.999 6.6-167.0-124.6 121.1 25.1 18.5 74.8 54 59 A I E -ac 6 90A 0 -49,-2.6 -47,-2.3 -2,-0.4 2,-0.4 -0.973 12.3-146.8-114.5 120.6 26.0 16.2 77.6 55 60 A F E -ac 7 91A 0 35,-2.4 37,-1.9 -2,-0.5 2,-0.4 -0.716 12.6-167.7 -89.3 132.2 24.9 12.6 77.2 56 61 A G E +ac 8 92A 0 -49,-2.4 -47,-2.3 -2,-0.4 37,-0.2 -0.956 17.2 148.6-122.2 129.4 23.9 10.5 80.2 57 62 A T E - c 0 93A 0 35,-1.9 37,-0.6 -2,-0.4 -47,-0.1 -0.991 41.0-116.1-155.1 147.9 23.3 6.8 80.4 58 63 A P E - c 0 94A 12 0, 0.0 7,-1.0 0, 0.0 2,-0.5 -0.321 33.0-122.8 -61.2 159.2 23.6 3.7 82.6 59 64 A T E +F 64 0B 13 35,-0.8 2,-0.4 5,-0.2 37,-0.3 -0.971 40.0 171.9-108.2 123.5 26.0 1.0 81.6 60 65 A Y E > -F 63 0B 129 3,-2.9 3,-1.3 -2,-0.5 35,-0.0 -0.998 62.5 -8.3-141.7 131.5 24.1 -2.2 81.2 61 66 A X T 3 S- 0 0 181 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.870 132.7 -50.4 43.4 42.6 25.3 -5.5 79.9 62 67 A G T 3 S+ 0 0 19 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.546 124.1 46.3 88.3 7.7 28.5 -3.7 78.8 63 68 A G E < S-F 60 0B 11 -3,-1.3 -3,-2.9 41,-0.1 -1,-0.2 -0.895 97.5 -49.1-162.2-179.6 27.2 -0.7 77.0 64 69 A P E S-F 59 0B 27 0, 0.0 -5,-0.2 0, 0.0 5,-0.1 -0.373 71.9 -89.5 -62.5 147.3 24.7 2.1 77.0 65 70 A S > - 0 0 6 -7,-1.0 4,-2.2 1,-0.1 5,-0.2 -0.167 33.9-114.9 -51.1 149.7 21.1 1.2 77.8 66 71 A W H > S+ 0 0 152 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.850 118.0 59.1 -55.3 -34.2 19.0 0.2 74.8 67 72 A Q H > S+ 0 0 29 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.917 106.1 46.8 -64.1 -45.2 16.9 3.3 75.6 68 73 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.931 112.6 49.4 -58.7 -44.2 20.0 5.6 75.2 69 74 A K H X S+ 0 0 77 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.916 106.5 56.1 -67.2 -39.5 21.0 3.8 71.9 70 75 A K H X S+ 0 0 87 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.871 110.6 45.5 -55.5 -39.4 17.4 4.2 70.5 71 76 A F H X S+ 0 0 1 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.899 112.7 50.0 -68.1 -41.8 17.8 7.9 71.1 72 77 A A H >< S+ 0 0 5 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.919 110.4 50.1 -61.7 -45.1 21.3 7.9 69.6 73 78 A D H >< S+ 0 0 84 -4,-3.6 3,-1.6 1,-0.2 -1,-0.2 0.903 108.2 53.8 -59.8 -40.2 19.9 6.0 66.5 74 79 A A H >< S+ 0 0 45 -4,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.716 92.2 72.2 -71.6 -19.4 17.1 8.7 66.3 75 80 A S T S+ 0 0 65 -3,-1.6 4,-2.0 2,-0.2 -1,-0.3 0.846 79.6 60.7 -55.3 -32.6 20.4 10.2 62.7 77 82 A K H <> S+ 0 0 171 -3,-1.4 4,-1.3 2,-0.2 3,-0.5 0.988 107.8 38.0 -63.3 -61.0 17.9 12.9 61.8 78 83 A P H 4>S+ 0 0 6 0, 0.0 5,-2.4 0, 0.0 6,-0.4 0.828 115.1 59.8 -58.2 -26.0 19.9 15.8 63.2 79 84 A W H ><5S+ 0 0 116 -4,-1.9 3,-1.3 3,-0.2 -2,-0.2 0.876 98.8 53.7 -68.1 -39.8 23.0 14.0 61.9 80 85 A F H 3<5S+ 0 0 184 -4,-2.0 -1,-0.2 -3,-0.5 -3,-0.1 0.892 114.9 41.0 -68.2 -34.7 22.0 14.0 58.2 81 86 A S T 3<5S- 0 0 70 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.286 109.3-125.6 -91.5 13.7 21.4 17.8 58.3 82 87 A A T X 5 + 0 0 51 -3,-1.3 3,-1.7 -5,-0.1 -3,-0.2 0.780 54.9 155.2 47.1 33.2 24.7 18.3 60.4 83 88 A K T 3 < + 0 0 118 -5,-2.4 -4,-0.1 1,-0.3 -1,-0.1 0.790 70.0 43.8 -59.3 -28.1 22.6 20.2 63.0 84 89 A W T > S+ 0 0 0 -6,-0.4 3,-1.7 2,-0.1 -1,-0.3 0.261 79.6 138.3-104.6 10.2 25.0 19.4 65.8 85 90 A Q T < S+ 0 0 104 -3,-1.7 33,-0.2 1,-0.2 32,-0.2 -0.284 75.9 7.3 -56.6 136.2 28.3 20.1 63.9 86 91 A D T 3 S+ 0 0 107 31,-2.8 -1,-0.2 1,-0.2 32,-0.2 0.461 92.7 137.7 68.7 5.3 30.9 21.9 66.1 87 92 A K < - 0 0 33 -3,-1.7 32,-2.5 29,-0.3 2,-0.4 -0.403 60.3-109.0 -71.3 157.6 28.8 21.7 69.3 88 93 A V E -cd 52 119A 0 -37,-2.0 -35,-2.1 30,-0.2 2,-0.3 -0.775 40.7-168.4 -90.5 129.2 30.7 20.9 72.5 89 94 A F E +cd 53 120A 0 30,-3.1 32,-2.4 -2,-0.4 2,-0.3 -0.881 16.0 163.5-118.4 149.9 29.9 17.4 73.9 90 95 A G E -c 54 0A 0 -37,-1.5 -35,-2.4 -2,-0.3 2,-0.3 -0.897 14.1-160.4-144.6-179.6 30.5 15.5 77.1 91 96 A G E -c 55 0A 0 30,-0.3 2,-0.3 -2,-0.3 -35,-0.2 -0.968 7.8-164.6-153.9 168.8 29.1 12.4 78.8 92 97 A F E -c 56 0A 0 -37,-1.9 -35,-1.9 -2,-0.3 2,-0.3 -0.982 4.8-177.8-156.2 160.9 28.6 10.4 81.9 93 98 A T E -ce 57 130A 0 36,-1.4 38,-0.8 -2,-0.3 2,-0.3 -0.955 4.1-170.3-150.8 165.6 27.7 6.9 83.0 94 99 A N E +ce 58 131A 5 -37,-0.6 -35,-0.8 -2,-0.3 2,-0.3 -0.920 10.7 168.5-160.7 128.7 27.1 4.9 86.2 95 100 A S E - e 0 132A 13 36,-1.9 38,-1.5 -2,-0.3 -35,-0.1 -0.817 45.7-104.5-135.1-175.5 26.6 1.3 87.0 96 101 A A S S+ 0 0 68 -37,-0.3 36,-0.1 -2,-0.3 2,-0.1 0.369 96.2 11.1 -87.8 3.7 26.5 -1.2 89.8 97 102 A S S S+ 0 0 71 34,-0.2 2,-0.2 1,-0.2 -2,-0.2 -0.253 98.4 19.0-146.0-132.4 29.9 -2.6 89.1 98 103 A L > - 0 0 89 1,-0.2 4,-1.1 -2,-0.1 3,-0.3 -0.346 42.4-141.8 -69.4 124.7 33.3 -2.4 87.3 99 104 A N H > S+ 0 0 100 -2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.528 93.4 96.6 -54.2 0.8 34.5 0.7 85.7 100 105 A G H >4 S+ 0 0 35 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.945 91.0 23.6 -50.7 -84.1 35.4 -2.1 83.5 101 106 A D H 3> S+ 0 0 72 -3,-0.3 4,-1.2 1,-0.3 3,-0.4 0.606 108.4 77.3 -57.7 -23.4 32.5 -1.8 81.2 102 107 A K H 3X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.802 87.7 59.4 -64.2 -29.6 31.8 1.8 81.9 103 108 A L H S+ 0 0 91 -4,-0.5 4,-1.8 -3,-0.4 -1,-0.2 0.895 107.4 47.8 -57.6 -43.9 33.0 1.2 76.8 105 110 A T H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 3,-0.3 0.962 112.9 48.8 -62.0 -45.4 29.9 3.3 77.4 106 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.880 108.6 53.1 -64.3 -43.7 32.0 6.5 77.6 107 112 A Q H X S+ 0 0 111 -4,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.827 106.7 53.1 -60.2 -34.2 33.8 5.5 74.4 108 113 A Y H X S+ 0 0 48 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.869 105.9 53.7 -63.8 -39.3 30.5 5.1 72.6 109 114 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.914 107.2 50.9 -66.6 -36.9 29.5 8.6 73.7 110 115 A V H X S+ 0 0 45 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.929 110.3 49.4 -63.5 -44.3 32.7 10.0 72.2 111 116 A L H X S+ 0 0 111 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.888 109.3 51.9 -59.1 -41.0 31.9 8.2 68.9 112 117 A L H X S+ 0 0 6 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.940 111.9 46.3 -65.1 -46.4 28.4 9.6 68.9 113 118 A A H <>S+ 0 0 1 -4,-2.4 5,-2.4 2,-0.2 -2,-0.2 0.867 114.2 48.4 -58.4 -43.0 29.8 13.1 69.4 114 119 A G H ><5S+ 0 0 49 -4,-2.5 3,-2.2 3,-0.2 -2,-0.2 0.914 105.2 56.9 -66.2 -44.1 32.4 12.5 66.7 115 120 A Q H 3<5S+ 0 0 115 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.863 109.5 48.0 -53.7 -36.5 29.8 11.2 64.3 116 121 A H T 3<5S- 0 0 3 -4,-1.3 -1,-0.3 -5,-0.2 -29,-0.3 0.365 118.3-115.1 -86.0 -0.4 28.1 14.6 64.8 117 122 A G T < 5 + 0 0 21 -3,-2.2 -31,-2.8 -32,-0.2 -3,-0.2 0.851 66.1 145.6 70.0 35.9 31.3 16.5 64.3 118 123 A G < - 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