==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-DEC-96 1FLN . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR M.L.LUDWIG,K.A.PATTRIDGE,A.L.METZGER,M.M.DIXON,M.EREN, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 9 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 1 0 0 0 1 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 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 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 1 A M 0 0 40 0, 0.0 30,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.3 18.2 40.4 16.1 2 2 A K E -a 31 0A 40 46,-0.5 48,-0.9 28,-0.2 2,-0.5 -0.991 360.0-162.2-136.2 141.8 20.8 38.2 14.5 3 3 A I E -ab 32 50A 0 28,-2.5 30,-3.7 -2,-0.4 2,-0.4 -0.990 11.9-169.8-121.7 119.4 21.4 34.5 14.3 4 4 A V E +ab 33 51A 1 46,-2.6 48,-2.2 -2,-0.5 2,-0.3 -0.937 18.9 156.4-111.4 132.2 24.9 33.3 13.4 5 5 A Y E -ab 34 52A 17 28,-1.8 30,-3.1 -2,-0.4 2,-0.4 -0.935 36.1-141.1-149.5 168.5 25.6 29.7 12.6 6 6 A W E + b 0 53A 27 46,-1.2 48,-0.6 -2,-0.3 2,-0.3 -0.988 24.1 176.6-129.7 138.4 27.7 27.1 10.9 7 7 A S - 0 0 22 -2,-0.4 -2,-0.0 46,-0.1 46,-0.0 -0.979 18.5-170.9-146.7 131.3 26.1 24.1 9.2 8 8 A G S S+ 0 0 50 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.772 92.1 12.4 -91.9 -33.0 27.8 21.3 7.2 9 9 A T S S- 0 0 122 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.447 113.1 -94.4-122.2 -6.7 24.8 19.5 5.7 10 10 A G S > S+ 0 0 20 110,-0.0 4,-2.0 4,-0.0 5,-0.2 0.349 92.5 112.5 110.1 -3.5 22.0 21.9 6.5 11 11 A N H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.947 85.7 37.6 -67.4 -50.4 20.7 20.5 9.8 12 12 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.841 114.3 58.7 -69.2 -31.6 21.8 23.5 12.0 13 13 A E H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 105.6 48.2 -63.6 -41.4 20.8 25.8 9.2 14 14 A K H X S+ 0 0 53 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.927 109.8 52.4 -65.3 -42.0 17.3 24.5 9.3 15 15 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.922 107.5 53.1 -58.4 -44.6 17.2 24.9 13.1 16 16 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.893 107.7 50.2 -57.6 -45.5 18.3 28.6 12.6 17 17 A E H X S+ 0 0 100 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.877 112.4 47.1 -60.6 -41.0 15.5 29.3 10.1 18 18 A L H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.869 111.3 50.2 -70.0 -38.1 12.9 27.8 12.6 19 19 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.930 111.7 49.5 -65.0 -42.1 14.3 29.8 15.5 20 20 A A H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.917 106.5 56.1 -62.1 -42.6 14.1 32.9 13.3 21 21 A K H X S+ 0 0 103 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.917 105.8 51.6 -56.8 -41.4 10.5 32.0 12.4 22 22 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.896 110.6 47.3 -63.5 -40.2 9.7 32.0 16.2 23 23 A I H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 3,-0.4 0.927 113.1 48.7 -67.2 -43.9 11.3 35.4 16.7 24 24 A I H ><5S+ 0 0 97 -4,-2.8 3,-2.7 1,-0.2 -2,-0.2 0.940 107.9 54.2 -62.0 -44.8 9.4 36.8 13.7 25 25 A E H 3<5S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.773 100.9 61.0 -60.8 -26.7 6.1 35.3 14.9 26 26 A S T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.454 128.1-101.7 -76.2 -3.8 6.7 37.2 18.2 27 27 A G T < 5S+ 0 0 70 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.496 83.8 118.8 96.5 7.2 6.6 40.3 16.1 28 28 A K < - 0 0 97 -5,-2.0 -1,-0.3 1,-0.0 2,-0.2 -0.708 60.8-119.4-109.5 156.8 10.4 41.0 15.9 29 29 A D + 0 0 114 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 -0.613 34.1 173.2 -88.6 151.0 12.8 41.3 13.0 30 30 A V - 0 0 14 -2,-0.2 2,-0.4 2,-0.0 -28,-0.2 -0.986 20.1-152.3-158.5 146.0 15.8 38.9 12.7 31 31 A N E -a 2 0A 75 -30,-2.0 -28,-2.5 -2,-0.3 2,-0.5 -0.986 12.1-145.1-123.5 133.8 18.5 38.1 10.2 32 32 A T E -a 3 0A 62 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.889 21.1-172.8 -98.2 130.9 20.2 34.7 9.9 33 33 A I E -a 4 0A 36 -30,-3.7 -28,-1.8 -2,-0.5 2,-0.2 -0.987 22.6-130.9-129.6 127.2 23.9 34.9 9.0 34 34 A N E > -a 5 0A 36 -2,-0.4 3,-2.3 -30,-0.2 4,-0.3 -0.529 32.3-115.4 -71.3 143.4 26.3 32.1 8.1 35 35 A V G > S+ 0 0 9 -30,-3.1 3,-1.3 1,-0.3 -1,-0.1 0.816 113.8 63.1 -52.4 -31.8 29.5 32.4 10.2 36 36 A S G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -31,-0.2 -30,-0.1 0.733 106.8 43.8 -67.7 -20.4 31.5 33.0 7.0 37 37 A D G < S+ 0 0 119 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.2 0.250 86.6 123.6-107.4 10.1 29.6 36.2 6.3 38 38 A V < - 0 0 33 -3,-1.3 2,-0.6 -4,-0.3 3,-0.1 -0.394 50.2-148.3 -78.5 152.9 29.5 37.8 9.7 39 39 A N > - 0 0 67 1,-0.1 4,-2.4 -2,-0.1 3,-0.2 -0.971 8.7-155.3-117.1 106.9 30.7 41.3 10.6 40 40 A I H > S+ 0 0 21 -2,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.876 90.2 54.9 -50.2 -44.1 32.0 41.1 14.2 41 41 A D H 4 S+ 0 0 118 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.911 111.2 41.9 -60.3 -47.1 31.5 44.8 14.8 42 42 A E H >4 S+ 0 0 120 -3,-0.2 3,-1.0 1,-0.2 4,-0.2 0.884 113.8 54.5 -68.6 -35.5 27.8 44.9 13.8 43 43 A L H >< S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.877 100.5 59.0 -65.8 -38.6 27.2 41.6 15.7 44 44 A L T 3< S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.583 92.7 68.1 -69.8 -9.0 28.7 43.0 18.9 45 45 A N T < S+ 0 0 140 -3,-1.0 -1,-0.3 -4,-0.4 2,-0.2 0.585 81.5 101.8 -82.1 -12.5 26.0 45.8 18.9 46 46 A E < - 0 0 38 -3,-1.7 3,-0.1 -4,-0.2 -3,-0.0 -0.480 68.4-145.9 -74.4 143.1 23.4 43.1 19.5 47 47 A D S S+ 0 0 98 1,-0.2 34,-1.4 -2,-0.2 2,-0.4 0.850 90.1 34.1 -76.0 -34.4 22.0 42.7 23.0 48 48 A I E S- c 0 81A 4 32,-0.1 2,-0.6 2,-0.0 -46,-0.5 -0.985 72.1-152.0-126.1 126.3 21.6 38.9 22.6 49 49 A L E - c 0 82A 0 32,-2.6 34,-2.5 -2,-0.4 2,-0.7 -0.863 8.5-162.7 -96.3 123.6 24.0 36.7 20.5 50 50 A I E -bc 3 83A 1 -48,-0.9 -46,-2.6 -2,-0.6 2,-0.4 -0.945 17.7-179.8-109.3 111.5 22.2 33.7 19.1 51 51 A L E +bc 4 84A 0 32,-2.5 34,-1.9 -2,-0.7 2,-0.4 -0.951 8.9 179.8-120.6 134.2 24.9 31.2 18.1 52 52 A G E +bc 5 85A 0 -48,-2.2 -46,-1.2 -2,-0.4 2,-0.3 -0.970 9.4 156.0-135.6 144.8 24.6 27.7 16.5 53 53 A C E -b 6 0A 0 32,-1.8 -46,-0.1 -2,-0.4 3,-0.1 -0.910 35.1-119.2-163.9 135.3 27.0 25.0 15.4 54 54 A S - 0 0 16 -48,-0.6 2,-0.5 -2,-0.3 8,-0.4 -0.254 44.2 -87.8 -71.2 164.2 26.7 21.3 14.9 55 55 A A + 0 0 25 32,-1.8 2,-0.2 6,-0.1 6,-0.2 -0.642 60.6 176.9 -76.0 121.6 28.8 18.8 16.8 56 56 A M B > -F 60 0B 70 4,-2.8 4,-2.9 -2,-0.5 3,-0.2 -0.735 37.3 -7.0-124.4 172.3 32.0 18.4 14.7 57 57 A G T 4 S- 0 0 47 -2,-0.2 2,-1.6 1,-0.2 5,-0.1 -0.020 129.3 -10.0 41.9-139.5 35.4 16.5 14.9 58 58 A P T 4 S- 0 0 103 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.526 127.6 -58.0 -86.2 70.6 35.9 14.8 18.2 59 59 A E T 4 S+ 0 0 44 -2,-1.6 2,-0.3 -3,-0.2 -2,-0.2 0.939 108.3 119.1 55.6 55.8 32.9 16.5 20.0 60 60 A V B < S-F 56 0B 47 -4,-2.9 -4,-2.8 38,-0.0 -1,-0.2 -0.808 71.5 -80.8-137.6 174.9 34.1 20.0 19.4 61 61 A L - 0 0 7 -2,-0.3 -6,-0.1 -6,-0.2 6,-0.0 -0.487 69.6 -76.2 -74.5 153.8 32.9 23.2 17.6 62 62 A E > - 0 0 15 -8,-0.4 5,-2.7 -2,-0.1 -1,-0.2 -0.279 49.8-149.0 -54.7 128.4 33.6 23.2 13.8 63 63 A E T 5S+ 0 0 124 3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.802 79.1 49.6 -76.5 -34.7 37.3 23.9 13.6 64 64 A S T 5S+ 0 0 91 3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.811 130.0 1.2 -81.1 -27.9 38.0 25.9 10.4 65 65 A E T >5S+ 0 0 75 3,-0.1 4,-1.1 2,-0.0 -2,-0.1 0.722 127.2 46.2-125.5 -49.5 35.4 28.6 10.7 66 66 A F H >5S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -3,-0.2 0.940 109.8 51.2 -69.3 -48.6 33.2 28.6 13.8 67 67 A E H > S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.866 110.0 53.7 -59.3 -34.9 38.2 30.9 15.2 69 69 A F H X S+ 0 0 10 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.935 108.9 47.5 -64.0 -45.3 35.1 33.1 15.2 70 70 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.903 112.6 49.3 -63.4 -42.5 34.3 32.3 18.9 71 71 A E H < S+ 0 0 104 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.916 109.1 54.2 -64.7 -38.3 38.0 32.9 19.8 72 72 A E H < S+ 0 0 114 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.912 115.4 36.4 -64.3 -42.7 37.9 36.2 18.0 73 73 A I H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.637 92.5 95.8 -84.2 -11.1 34.8 37.5 19.9 74 74 A S G >< S+ 0 0 10 -4,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.777 82.7 48.3 -48.3 -41.7 35.8 35.9 23.3 75 75 A T G 3 S+ 0 0 117 -4,-0.5 -1,-0.3 -3,-0.4 3,-0.2 0.605 113.9 47.2 -79.2 -11.0 37.5 39.0 24.8 76 76 A K G < S+ 0 0 107 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.075 93.3 71.7-121.4 30.1 34.7 41.4 23.9 77 77 A I X + 0 0 0 -3,-0.7 3,-2.3 29,-0.2 -1,-0.1 0.284 54.9 138.9-126.3 9.7 31.5 39.6 25.0 78 78 A S T 3 S+ 0 0 94 1,-0.3 30,-0.2 -3,-0.2 29,-0.2 -0.313 78.3 15.7 -57.9 133.6 31.7 39.8 28.8 79 79 A G T 3 S+ 0 0 54 28,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.354 97.1 129.4 83.8 -7.4 28.2 40.6 30.2 80 80 A K < - 0 0 45 -3,-2.3 29,-2.9 1,-0.0 2,-0.3 -0.514 59.0-122.4 -82.8 150.5 26.4 39.8 27.0 81 81 A K E -cd 48 109A 64 -34,-1.4 -32,-2.6 27,-0.2 2,-0.3 -0.707 33.4-175.1 -88.9 140.9 23.4 37.5 26.8 82 82 A V E -cd 49 110A 0 27,-2.4 29,-1.7 -2,-0.3 30,-0.5 -0.987 18.2-160.6-139.7 147.2 23.8 34.5 24.5 83 83 A A E -c 50 0A 0 -34,-2.5 -32,-2.5 -2,-0.3 2,-0.4 -0.999 18.7-157.2-126.9 131.0 21.5 31.6 23.3 84 84 A L E +c 51 0A 0 -2,-0.4 31,-2.1 28,-0.3 2,-0.3 -0.882 17.9 158.9-118.0 146.2 23.1 28.5 21.9 85 85 A F E +ce 52 115A 0 -34,-1.9 -32,-1.8 -2,-0.4 2,-0.2 -0.938 1.4 146.7-152.7 168.8 21.8 25.8 19.6 86 86 A G E - e 0 116A 0 29,-1.8 31,-1.6 -2,-0.3 2,-0.3 -0.820 37.3-105.0 164.8 158.6 22.9 23.0 17.2 87 87 A S E - e 0 117A 4 -2,-0.2 -32,-1.8 29,-0.2 2,-0.3 -0.684 33.8-176.3 -98.8 154.7 22.4 19.6 15.7 88 88 A Y E - e 0 118A 45 29,-1.8 31,-2.9 -2,-0.3 -32,-0.0 -0.905 15.6-154.0-145.2 170.6 24.4 16.5 16.5 89 89 A G S S- 0 0 25 -2,-0.3 -1,-0.1 29,-0.2 29,-0.0 0.714 74.1 -4.3-111.8 -85.3 24.7 12.9 15.5 90 90 A W S S+ 0 0 238 28,-0.0 28,-0.0 2,-0.0 -2,-0.0 0.560 108.0 79.2 -95.5 -14.8 25.9 10.1 17.7 91 91 A G S S- 0 0 21 1,-0.0 -3,-0.1 -36,-0.0 -36,-0.0 -0.012 79.3-118.8 -81.9-167.6 26.9 11.8 20.9 92 92 A D - 0 0 112 26,-0.0 -1,-0.0 -4,-0.0 -2,-0.0 -0.088 69.0 -72.7-125.3 30.8 24.8 13.1 23.7 93 93 A G S >> S+ 0 0 2 3,-0.1 4,-2.0 4,-0.0 3,-0.6 0.582 82.1 140.5 93.7 12.5 25.5 16.8 23.7 94 94 A K H 3> S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 73.0 53.6 -55.4 -45.6 29.1 16.9 25.0 95 95 A W H 3> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.849 110.8 48.2 -59.1 -32.8 30.2 19.6 22.6 96 96 A M H <> S+ 0 0 5 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.851 107.0 53.8 -77.6 -35.0 27.3 21.8 23.7 97 97 A R H X S+ 0 0 126 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.923 114.2 44.5 -63.0 -40.7 28.0 21.3 27.4 98 98 A D H X S+ 0 0 63 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.887 111.3 52.1 -68.5 -42.8 31.5 22.4 26.7 99 99 A F H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.934 111.7 47.2 -58.8 -47.0 30.3 25.3 24.5 100 100 A E H X S+ 0 0 66 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.924 112.2 49.1 -61.5 -46.7 28.0 26.5 27.3 101 101 A E H X S+ 0 0 140 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.924 111.8 51.1 -59.5 -41.7 30.8 26.2 29.9 102 102 A R H X S+ 0 0 64 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.944 109.5 47.6 -61.6 -50.1 33.1 28.2 27.6 103 103 A M H ><>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.5 0.903 112.6 49.8 -60.6 -39.7 30.6 31.1 27.0 104 104 A N H ><5S+ 0 0 86 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.910 107.0 56.2 -63.9 -40.2 30.0 31.3 30.7 105 105 A G H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.742 101.8 56.5 -63.3 -26.9 33.7 31.3 31.3 106 106 A Y T <<5S- 0 0 60 -4,-1.3 -1,-0.3 -3,-0.5 -29,-0.2 0.381 127.8 -97.1 -83.8 0.7 34.0 34.4 28.9 107 107 A G T < 5S+ 0 0 30 -3,-1.8 -28,-3.0 1,-0.3 -3,-0.2 0.544 77.3 142.3 96.5 8.0 31.6 36.3 31.1 108 108 A C < - 0 0 5 -5,-2.2 2,-0.7 -30,-0.2 -1,-0.3 -0.417 49.9-130.3 -81.4 157.9 28.4 35.7 29.1 109 109 A V E -d 81 0A 79 -29,-2.9 -27,-2.4 -2,-0.1 2,-1.0 -0.939 15.8-147.2-108.9 111.1 25.0 35.1 30.5 110 110 A V E -d 82 0A 26 -2,-0.7 -27,-0.2 -29,-0.2 -29,-0.1 -0.730 14.2-166.1 -81.8 103.7 23.5 32.0 28.9 111 111 A V + 0 0 33 -29,-1.7 2,-0.3 -2,-1.0 -1,-0.2 0.701 61.5 16.3 -66.7 -27.2 19.8 32.9 28.8 112 112 A E S S- 0 0 56 -30,-0.5 -28,-0.3 -28,-0.0 3,-0.1 -0.946 93.5 -81.7-143.3 163.2 18.2 29.6 28.1 113 113 A T - 0 0 113 -2,-0.3 -2,-0.0 1,-0.1 -30,-0.0 -0.425 63.3 -98.9 -62.6 134.6 19.1 26.0 28.2 114 114 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 -29,-0.2 -0.337 34.1-129.4 -57.7 144.4 20.9 25.3 24.9 115 115 A L E +e 85 0A 27 -31,-2.1 -29,-1.8 -3,-0.1 2,-0.4 -0.867 31.6 175.4 -99.1 114.3 18.7 23.7 22.2 116 116 A I E -e 86 0A 54 -2,-0.7 2,-0.4 -31,-0.2 -29,-0.2 -0.959 6.4-173.9-121.5 138.2 20.2 20.6 20.7 117 117 A V E -e 87 0A 14 -31,-1.6 -29,-1.8 -2,-0.4 2,-0.5 -0.992 26.8-119.2-130.6 138.9 18.5 18.3 18.1 118 118 A Q E S-e 88 0A 108 -2,-0.4 -29,-0.2 -31,-0.2 6,-0.1 -0.679 73.8 -38.6 -82.1 125.6 19.6 15.0 16.7 119 119 A N S S+ 0 0 80 -31,-2.9 -31,-0.2 -2,-0.5 -2,-0.1 -0.226 122.0 3.0 58.8-147.9 20.1 15.1 12.9 120 120 A E S S- 0 0 87 1,-0.1 3,-0.3 -33,-0.1 4,-0.2 -0.455 74.9-122.2 -70.3 140.2 17.5 17.1 11.0 121 121 A P > + 0 0 5 0, 0.0 3,-2.9 0, 0.0 2,-0.6 0.917 65.9 130.0 -44.4 -64.9 14.8 18.9 13.1 122 122 A D G > S+ 0 0 87 1,-0.3 3,-1.3 2,-0.2 4,-0.2 -0.225 83.1 25.7 46.8 -92.8 11.7 17.3 11.5 123 123 A E G 3 S+ 0 0 199 -2,-0.6 3,-0.4 -3,-0.3 -1,-0.3 0.769 124.1 55.5 -68.2 -25.8 9.9 16.2 14.7 124 124 A A G <> S+ 0 0 12 -3,-2.9 4,-1.8 -4,-0.2 -1,-0.3 0.250 72.7 111.5 -92.0 14.1 11.6 19.0 16.7 125 125 A E H <> S+ 0 0 73 -3,-1.3 4,-2.0 1,-0.2 3,-0.4 0.918 78.7 45.8 -55.5 -47.8 10.4 21.7 14.4 126 126 A Q H > S+ 0 0 104 -3,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.874 107.3 59.1 -64.6 -34.4 8.0 23.3 16.9 127 127 A D H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.878 106.5 48.6 -59.4 -39.8 10.7 23.1 19.6 128 128 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.924 111.8 47.9 -65.6 -46.3 12.9 25.2 17.4 129 129 A I H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.931 111.4 51.4 -60.9 -42.9 10.1 27.8 16.9 130 130 A E H X S+ 0 0 79 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.843 105.5 55.3 -63.9 -35.3 9.4 27.8 20.7 131 131 A F H X S+ 0 0 13 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.929 107.5 49.8 -63.1 -44.9 13.1 28.5 21.4 132 132 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.914 108.8 53.0 -60.7 -40.2 13.0 31.5 19.2 133 133 A K H X S+ 0 0 64 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.896 108.6 49.3 -63.4 -38.6 9.8 32.7 21.0 134 134 A K H >< S+ 0 0 105 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.929 110.9 49.8 -65.5 -45.0 11.5 32.4 24.4 135 135 A I H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.896 106.7 56.0 -60.2 -39.9 14.5 34.4 23.1 136 136 A A H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 103.3 56.0 -66.0 -20.8 12.2 37.1 21.7 137 137 A N T << 0 0 130 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.382 360.0 360.0 -90.8 -1.8 10.7 37.5 25.2 138 138 A I < 0 0 99 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.951 360.0 360.0 -72.4 360.0 14.0 38.3 26.8