==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 09-FEB-06 2FZ5 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MEGASPHAERA ELSDENII; . AUTHOR C.P.M.VAN MIERLO,P.LIJNZAAD,J.VERVOORT,F.MUELLER, . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 1 0.7 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 . 21 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 32.1 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 1 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 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 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 81 0, 0.0 48,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 113.2 -12.9 -45.0 17.1 2 2 A V E -ab 31 49A 0 28,-2.5 30,-3.2 46,-0.1 2,-0.8 -0.931 360.0-157.0-119.6 123.3 -9.7 -43.5 15.8 3 3 A E E -ab 32 50A 7 46,-2.0 48,-2.9 -2,-0.5 2,-0.8 -0.842 12.0-163.9 -97.5 106.1 -6.2 -43.3 17.4 4 4 A I E -ab 33 51A 0 28,-2.4 30,-2.7 -2,-0.8 2,-0.6 -0.850 8.8-174.6 -93.0 103.6 -4.3 -40.5 15.8 5 5 A V E +ab 34 52A 0 46,-3.2 48,-2.5 -2,-0.8 2,-0.3 -0.922 11.2 178.0-107.6 110.1 -0.7 -41.0 16.7 6 6 A Y E -ab 35 53A 23 28,-2.6 30,-2.0 -2,-0.6 2,-0.5 -0.777 29.6-152.4-121.3 147.5 1.6 -38.2 15.5 7 7 A W - 0 0 50 46,-2.1 2,-0.5 -2,-0.3 6,-0.2 -0.994 24.1-174.3-113.5 116.4 5.2 -37.1 15.7 8 8 A S + 0 0 9 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.964 21.3 163.4-124.0 112.7 5.6 -33.3 15.6 9 9 A G S S+ 0 0 50 -2,-0.5 2,-0.4 1,-0.1 -1,-0.2 0.912 87.2 18.1 -81.1 -63.8 8.9 -31.4 15.3 10 10 A T S S- 0 0 110 1,-0.0 2,-1.5 4,-0.0 -1,-0.1 -0.436 113.6 -93.2-113.8 48.6 7.8 -28.0 14.2 11 11 A G S >> S+ 0 0 43 -2,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.040 97.8 112.7 72.4 -29.9 4.0 -28.0 15.1 12 12 A N H 3> S+ 0 0 4 -2,-1.5 4,-2.3 1,-0.2 -1,-0.1 0.809 76.1 39.2 -37.7 -66.6 3.1 -29.2 11.5 13 13 A T H 3> S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.759 113.3 57.1 -66.1 -28.0 1.8 -32.7 12.1 14 14 A E H <> S+ 0 0 67 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.975 109.9 43.8 -61.4 -55.1 -0.0 -31.6 15.3 15 15 A A H X S+ 0 0 39 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.875 113.9 52.0 -59.9 -37.8 -2.0 -29.0 13.4 16 16 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.959 110.2 47.9 -58.9 -51.5 -2.6 -31.6 10.6 17 17 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.887 109.2 54.6 -56.5 -42.3 -3.9 -34.1 13.3 18 18 A N H X S+ 0 0 73 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.898 107.3 49.5 -60.4 -40.0 -6.1 -31.3 14.7 19 19 A E H X S+ 0 0 21 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.933 113.0 46.6 -63.6 -48.3 -7.6 -30.7 11.2 20 20 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.963 110.2 54.7 -55.9 -50.5 -8.3 -34.5 10.9 21 21 A E H X S+ 0 0 20 -4,-3.3 4,-3.3 1,-0.2 -2,-0.2 0.859 105.5 52.0 -50.3 -47.3 -9.8 -34.5 14.4 22 22 A A H X S+ 0 0 57 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.918 110.3 47.9 -60.5 -41.7 -12.2 -31.8 13.5 23 23 A A H X S+ 0 0 17 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.839 113.2 49.0 -68.6 -33.3 -13.4 -33.7 10.5 24 24 A V H ><>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 3,-0.9 0.961 112.7 47.5 -65.9 -50.8 -13.7 -36.9 12.7 25 25 A K H ><5S+ 0 0 130 -4,-3.3 3,-2.1 1,-0.2 -2,-0.2 0.858 102.5 63.5 -60.4 -38.5 -15.7 -34.9 15.3 26 26 A A H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.6 45.9 -55.4 -33.2 -18.0 -33.4 12.6 27 27 A A T <<5S- 0 0 59 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.021 121.7-108.8-100.8 24.9 -19.3 -36.9 11.9 28 28 A G T < 5 + 0 0 72 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.676 67.1 149.4 56.8 35.0 -19.7 -37.7 15.7 29 29 A A < - 0 0 22 -5,-1.8 2,-0.3 1,-0.0 -1,-0.2 -0.754 50.0-113.4-107.2 138.2 -16.7 -40.2 15.9 30 30 A D - 0 0 95 -2,-0.4 -28,-2.5 105,-0.1 2,-0.4 -0.483 35.3-166.8 -69.6 126.2 -14.6 -40.8 19.0 31 31 A V E -a 2 0A 27 -2,-0.3 2,-0.5 -30,-0.2 -28,-0.2 -0.910 17.1-168.3-124.4 136.5 -10.9 -39.7 18.5 32 32 A E E -a 3 0A 38 -30,-3.2 -28,-2.4 -2,-0.4 2,-0.6 -0.948 13.7-172.5-124.7 98.1 -7.8 -40.4 20.6 33 33 A S E +a 4 0A 36 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.918 18.3 148.8-106.7 119.1 -4.9 -38.2 19.6 34 34 A V E -a 5 0A 38 -30,-2.7 -28,-2.6 -2,-0.6 2,-0.4 -0.859 43.6 -98.8-138.0 166.6 -1.5 -38.9 21.1 35 35 A R E > -a 6 0A 67 -2,-0.3 3,-2.8 3,-0.3 -28,-0.2 -0.789 30.5-117.8 -95.4 144.2 2.1 -38.7 20.3 36 36 A F T 3 S+ 0 0 7 -30,-2.0 3,-0.4 -2,-0.4 -29,-0.1 0.769 114.0 61.3 -41.8 -39.0 4.3 -41.6 19.1 37 37 A E T 3 S+ 0 0 111 -31,-0.3 -1,-0.3 1,-0.2 2,-0.3 0.631 107.5 44.4 -61.8 -26.3 6.4 -41.2 22.4 38 38 A D S < S+ 0 0 93 -3,-2.8 -3,-0.3 2,-0.0 2,-0.3 -0.677 97.1 80.0-129.9 70.7 3.3 -42.0 24.6 39 39 A T - 0 0 27 -3,-0.4 2,-0.3 -2,-0.3 3,-0.1 -0.943 50.1-156.6-159.9 178.3 1.5 -45.0 23.0 40 40 A N >> - 0 0 56 -2,-0.3 4,-1.8 1,-0.1 3,-1.1 -0.980 34.9-109.8-166.4 145.8 1.5 -48.8 22.8 41 41 A V H 3> S+ 0 0 16 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.859 116.6 61.0 -50.6 -37.5 0.3 -51.6 20.6 42 42 A D H 3> S+ 0 0 112 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.853 105.1 47.7 -59.6 -36.9 -2.2 -52.6 23.4 43 43 A D H X4 S+ 0 0 77 -3,-1.1 3,-1.5 1,-0.2 4,-0.3 0.967 109.5 52.8 -69.4 -46.2 -3.9 -49.2 23.1 44 44 A V H >< S+ 0 0 0 -4,-1.8 3,-2.5 1,-0.3 -2,-0.2 0.854 97.0 68.1 -56.8 -42.3 -4.0 -49.4 19.2 45 45 A A H 3< S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.739 94.7 56.5 -49.7 -34.4 -5.7 -52.9 19.5 46 46 A S T << S+ 0 0 82 -3,-1.5 2,-0.5 -4,-0.6 -1,-0.3 0.560 97.3 75.5 -75.4 -13.9 -8.9 -51.2 20.9 47 47 A K < - 0 0 24 -3,-2.5 -45,-0.1 -4,-0.3 -1,-0.1 -0.929 62.2-159.9-112.2 120.9 -9.2 -48.8 17.9 48 48 A D S S+ 0 0 80 -2,-0.5 34,-1.8 -47,-0.2 2,-0.4 0.733 85.2 42.6 -64.1 -30.9 -10.5 -50.1 14.6 49 49 A V E -bc 2 82A 0 -48,-1.7 -46,-2.0 32,-0.2 2,-0.3 -0.973 68.9-177.3-126.4 131.1 -9.0 -47.1 12.7 50 50 A I E -bc 3 83A 0 32,-3.2 34,-2.6 -2,-0.4 2,-0.4 -0.953 9.5-158.1-125.4 142.9 -5.5 -45.7 13.4 51 51 A L E -bc 4 84A 0 -48,-2.9 -46,-3.2 -2,-0.3 2,-0.4 -1.000 6.9-153.8-125.3 135.2 -3.7 -42.7 11.8 52 52 A L E -bc 5 85A 2 32,-2.9 34,-3.1 -2,-0.4 2,-0.6 -0.913 3.7-159.5-112.9 130.9 0.1 -42.3 11.8 53 53 A G E +bc 6 86A 0 -48,-2.5 -46,-2.1 -2,-0.4 34,-0.2 -0.912 25.9 147.0-118.0 107.5 1.8 -38.8 11.6 54 54 A C - 0 0 0 32,-1.8 -46,-0.1 -2,-0.6 3,-0.1 -0.975 31.3-145.0-143.5 119.3 5.4 -38.5 10.4 55 55 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 8,-0.2 -0.260 39.5 -83.8 -74.0 164.7 7.1 -35.7 8.4 56 56 A A - 0 0 34 32,-2.4 2,-0.3 6,-0.1 6,-0.2 -0.667 54.6-174.8 -76.0 122.6 9.8 -36.2 5.8 57 57 A M B > -E 61 0B 81 4,-3.4 4,-2.6 -2,-0.5 2,-0.2 -0.800 43.1 -13.6-121.3 160.4 13.3 -36.5 7.3 58 58 A G T 4 S- 0 0 74 -2,-0.3 2,-0.6 2,-0.2 5,-0.0 -0.331 130.9 -11.6 55.1-112.0 16.9 -36.8 6.3 59 59 A S T 4 S- 0 0 95 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.884 129.7 -47.5-122.6 87.2 16.8 -37.6 2.6 60 60 A E T 4 S+ 0 0 34 -2,-0.6 2,-0.3 1,-0.2 -2,-0.2 0.807 104.7 121.7 50.5 61.7 13.1 -38.5 2.0 61 61 A E B < -E 57 0B 101 -4,-2.6 -4,-3.4 34,-0.1 -1,-0.2 -0.865 62.8 -89.6-134.7 169.1 12.6 -40.8 4.9 62 62 A L - 0 0 7 -2,-0.3 2,-1.3 -6,-0.2 -6,-0.1 -0.262 56.8 -86.8 -72.3 160.7 10.6 -41.6 8.0 63 63 A E >>> - 0 0 2 -8,-0.2 3,-1.1 1,-0.2 4,-1.1 -0.569 46.6-163.0 -79.2 97.4 11.6 -40.4 11.4 64 64 A D H 3>5S+ 0 0 95 -2,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.828 72.8 53.1 -52.3 -53.9 14.0 -43.2 12.4 65 65 A S H 345S+ 0 0 83 3,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.474 126.8 12.3 -72.4 -13.7 14.4 -42.9 16.2 66 66 A V H <>5S+ 0 0 28 -3,-1.1 4,-2.5 3,-0.1 5,-0.2 0.611 126.2 47.7-122.4 -59.7 10.7 -42.9 17.3 67 67 A V H X5S+ 0 0 4 -4,-1.1 4,-3.3 1,-0.2 -3,-0.2 0.899 113.6 48.2 -58.2 -43.3 8.4 -43.9 14.3 68 68 A E H X S+ 0 0 75 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.868 117.2 44.8 -58.9 -40.5 10.7 -48.4 17.0 70 70 A F H X S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.942 109.8 55.3 -71.3 -41.2 7.0 -47.8 17.4 71 71 A F H X S+ 0 0 28 -4,-3.3 4,-2.6 -5,-0.2 -1,-0.2 0.885 107.2 49.4 -53.5 -45.1 6.2 -49.3 14.0 72 72 A T H < S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.910 113.2 46.8 -64.0 -42.3 8.0 -52.6 14.8 73 73 A D H < S+ 0 0 65 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.819 115.1 48.4 -60.2 -41.2 6.1 -52.8 18.2 74 74 A L H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.899 90.1 83.2 -67.5 -41.8 2.8 -52.0 16.2 75 75 A A G >< S+ 0 0 24 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.686 81.8 58.4 -40.3 -47.6 3.3 -54.6 13.4 76 76 A P G 3 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.840 116.9 35.6 -56.5 -33.1 1.9 -57.7 15.2 77 77 A K G < S+ 0 0 84 -3,-1.9 2,-0.8 -4,-0.3 -2,-0.2 0.195 89.8 96.5-108.3 21.9 -1.5 -55.9 15.7 78 78 A L < + 0 0 0 -3,-1.7 2,-0.4 -4,-0.3 31,-0.3 -0.538 56.7 124.3-107.4 59.9 -1.5 -54.0 12.4 79 79 A K S S- 0 0 128 -2,-0.8 2,-2.0 29,-0.1 30,-0.3 -0.988 79.5 -12.7-126.7 128.7 -3.7 -56.6 10.7 80 80 A G S S+ 0 0 55 28,-3.2 30,-0.4 -2,-0.4 29,-0.1 -0.276 101.9 123.9 78.4 -46.0 -7.0 -56.0 9.0 81 81 A K - 0 0 43 -2,-2.0 29,-1.6 -4,-0.2 2,-0.6 0.055 69.2-108.5 -49.4 152.2 -7.2 -52.5 10.6 82 82 A K E -cd 49 110A 73 -34,-1.8 -32,-3.2 27,-0.2 2,-0.5 -0.651 37.4-176.6 -89.6 112.2 -7.6 -49.2 8.8 83 83 A V E -cd 50 111A 0 27,-3.1 29,-0.9 -2,-0.6 2,-0.3 -0.973 7.0-164.6-120.3 113.6 -4.4 -47.2 9.0 84 84 A G E -c 51 0A 0 -34,-2.6 -32,-2.9 -2,-0.5 2,-0.5 -0.802 11.1-145.1 -96.0 143.7 -4.3 -43.6 7.5 85 85 A L E -cd 52 114A 0 28,-2.7 30,-3.2 -2,-0.3 2,-0.4 -0.947 17.5-179.9-118.0 123.2 -0.9 -42.0 6.9 86 86 A F E +cd 53 115A 0 -34,-3.1 -32,-1.8 -2,-0.5 2,-0.3 -0.993 8.8 159.1-131.7 130.4 -0.3 -38.3 7.3 87 87 A G E - d 0 116A 0 28,-3.1 30,-2.1 -2,-0.4 2,-0.4 -1.000 29.6-136.9-149.7 149.4 3.0 -36.3 6.7 88 88 A S E - d 0 117A 6 -2,-0.3 -32,-2.4 28,-0.2 2,-0.3 -0.811 23.1-173.0-101.9 138.8 4.4 -32.9 6.1 89 89 A Y E - d 0 118A 31 28,-3.3 30,-2.4 -2,-0.4 4,-0.1 -0.903 17.9-165.5-127.5 160.6 7.2 -32.2 3.6 90 90 A G S S- 0 0 47 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.740 82.4 -8.7-100.2 -74.2 9.4 -29.3 2.6 91 91 A W S S+ 0 0 252 1,-0.1 2,-0.4 27,-0.0 27,-0.0 0.601 122.1 50.8-111.3 -12.8 11.1 -29.9 -0.7 92 92 A G - 0 0 18 -36,-0.0 -2,-0.2 2,-0.0 2,-0.2 -0.996 64.0-164.2-136.4 128.9 10.6 -33.5 -1.8 93 93 A S + 0 0 53 -2,-0.4 2,-1.5 -4,-0.1 -5,-0.0 -0.663 53.7 11.7-112.7 155.9 7.3 -35.3 -2.0 94 94 A G S > S+ 0 0 18 -2,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.507 91.4 85.9 95.2 -67.2 6.1 -38.9 -2.2 95 95 A E H > S+ 0 0 125 -2,-1.5 4,-2.4 2,-0.2 5,-0.2 0.766 93.0 45.3 -39.1 -58.9 9.0 -41.3 -1.5 96 96 A W H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.951 116.4 48.4 -54.4 -42.1 8.9 -41.4 2.3 97 97 A M H > S+ 0 0 9 -3,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.818 109.2 52.9 -69.3 -38.9 5.1 -41.9 2.1 98 98 A D H X S+ 0 0 106 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.930 112.3 43.7 -60.7 -49.6 5.4 -44.7 -0.6 99 99 A A H X S+ 0 0 31 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.924 115.3 50.7 -61.7 -41.7 7.8 -46.7 1.6 100 100 A W H X S+ 0 0 3 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.881 111.2 47.4 -61.2 -47.5 5.6 -46.0 4.6 101 101 A K H X S+ 0 0 92 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.966 109.9 53.9 -60.2 -46.2 2.5 -47.2 2.7 102 102 A Q H X S+ 0 0 100 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.935 113.1 41.5 -55.0 -52.0 4.3 -50.3 1.5 103 103 A R H X S+ 0 0 82 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.864 116.3 48.1 -67.7 -34.2 5.3 -51.3 5.1 104 104 A T H <>S+ 0 0 0 -4,-2.2 5,-0.8 1,-0.2 3,-0.4 0.902 116.2 43.4 -76.0 -41.6 1.9 -50.4 6.7 105 105 A E H >X5S+ 0 0 80 -4,-2.9 3,-1.9 -5,-0.2 4,-0.7 0.933 107.1 63.8 -59.6 -46.3 -0.1 -52.3 4.0 106 106 A D H 3<5S+ 0 0 111 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.663 88.0 66.3 -58.9 -27.7 2.4 -55.2 4.2 107 107 A T T 3<5S- 0 0 31 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.1 0.439 128.7 -91.2 -74.4 1.5 1.6 -56.2 7.8 108 108 A G T <45S+ 0 0 49 -3,-1.9 -28,-3.2 1,-0.3 2,-0.3 0.546 91.4 122.0 94.6 19.3 -1.9 -57.2 6.6 109 109 A A << - 0 0 3 -5,-0.8 2,-0.4 -4,-0.7 -1,-0.3 -0.714 56.3-124.8-110.4 159.8 -3.5 -53.8 7.2 110 110 A T E -d 82 0A 58 -29,-1.6 -27,-3.1 -30,-0.4 2,-0.8 -0.846 18.6-121.4-114.5 144.6 -5.3 -51.4 4.8 111 111 A V E -d 83 0A 25 -2,-0.4 2,-1.7 -29,-0.2 -27,-0.2 -0.686 13.7-164.3 -94.2 108.4 -4.5 -47.8 4.1 112 112 A I E - 0 0 39 -29,-0.9 -28,-0.1 -2,-0.8 22,-0.1 -0.386 67.2 -51.4 -90.6 53.6 -7.4 -45.4 4.8 113 113 A G E - 0 0 28 -2,-1.7 -28,-2.7 -29,-0.1 2,-0.4 0.227 49.1-114.4 95.0 155.9 -5.8 -42.6 2.8 114 114 A T E -d 85 0A 43 -30,-0.2 2,-0.6 -3,-0.1 -28,-0.2 -0.987 21.9-162.0-125.1 117.9 -2.4 -40.8 2.5 115 115 A A E -d 86 0A 0 -30,-3.2 -28,-3.1 -2,-0.4 2,-0.5 -0.910 9.6-179.3-107.8 112.1 -2.2 -37.0 3.4 116 116 A I E -d 87 0A 43 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.956 8.2-171.6-114.0 123.9 0.8 -35.1 2.1 117 117 A V E -d 88 0A 0 -30,-2.1 -28,-3.3 -2,-0.5 2,-1.6 -0.967 33.2-121.9-126.6 140.6 1.3 -31.5 2.9 118 118 A N E S-d 89 0A 84 -2,-0.4 2,-2.2 2,-0.3 -28,-0.2 -0.652 78.6 -70.7 -73.4 85.2 3.5 -28.6 1.9 119 119 A E S S+ 0 0 111 -30,-2.4 -2,-0.1 -2,-1.6 -1,-0.1 -0.383 121.8 54.2 62.3 -73.6 4.8 -27.9 5.4 120 120 A M S S- 0 0 104 -2,-2.2 3,-0.5 1,-0.1 -2,-0.3 -0.666 84.3-117.1 -93.1 140.6 1.6 -26.4 6.9 121 121 A P S S+ 0 0 10 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 0.130 90.6 51.2 -63.0-177.1 -1.9 -28.0 6.9 122 122 A D S S+ 0 0 100 2,-0.4 6,-0.1 1,-0.1 4,-0.0 -0.264 88.1 88.6 72.7 -37.1 -5.0 -26.6 5.1 123 123 A N S S+ 0 0 120 -2,-1.5 -1,-0.1 -3,-0.5 -5,-0.0 0.452 91.7 45.8 -61.4 -12.6 -3.0 -26.3 1.9 124 124 A A > - 0 0 14 -7,-0.1 3,-1.5 1,-0.0 -2,-0.4 -0.910 69.8-156.5-133.5 110.9 -4.0 -29.9 1.2 125 125 A P T 3> S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.657 83.5 91.1 -55.7 -19.7 -7.8 -30.8 1.7 126 126 A E H 3> S+ 0 0 68 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.829 77.7 59.0 -39.5 -41.8 -6.3 -34.4 2.0 127 127 A C H <> S+ 0 0 0 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.961 109.3 42.2 -58.1 -50.2 -6.1 -33.8 5.8 128 128 A K H > S+ 0 0 86 -4,-0.4 4,-2.6 -3,-0.3 -2,-0.2 0.891 111.7 55.9 -64.2 -42.3 -9.8 -33.2 6.0 129 129 A E H X S+ 0 0 101 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.921 106.9 49.3 -53.8 -48.6 -10.5 -36.1 3.7 130 130 A L H X S+ 0 0 8 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.881 109.0 54.0 -58.9 -40.0 -8.5 -38.4 6.0 131 131 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.958 110.9 44.6 -56.3 -54.3 -10.6 -37.0 8.9 132 132 A E H X S+ 0 0 87 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.929 114.6 49.4 -55.9 -49.6 -13.9 -37.9 7.1 133 133 A A H < S+ 0 0 29 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 111.1 49.2 -58.6 -42.5 -12.5 -41.3 6.1 134 134 A A H >< S+ 0 0 2 -4,-2.8 3,-1.6 3,-0.2 -1,-0.2 0.881 107.8 53.9 -65.7 -41.5 -11.4 -42.1 9.7 135 135 A A H 3< S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 114.3 42.6 -56.6 -37.5 -14.9 -41.0 11.0 136 136 A K T 3< 0 0 152 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.099 360.0 360.0 -97.5 23.4 -16.3 -43.6 8.5 137 137 A A < 0 0 32 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.903 360.0 360.0 61.9 360.0 -13.5 -46.1 9.5