==== 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 17-DEC-96 1FLD . 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) . 7027.0 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 . 25 18.1 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 . 14 10.1 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 2 2 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 44 0, 0.0 30,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.5 18.2 40.5 16.3 2 2 A K E -ab 31 49A 42 46,-0.5 48,-1.0 28,-0.2 2,-0.5 -0.997 360.0-162.3-137.3 139.1 20.8 38.3 14.7 3 3 A I E -ab 32 50A 0 28,-2.6 30,-3.8 -2,-0.4 2,-0.5 -0.982 12.5-170.0-119.1 119.2 21.3 34.5 14.5 4 4 A V E +ab 33 51A 0 46,-2.6 48,-2.2 -2,-0.5 2,-0.3 -0.948 17.7 157.9-112.4 132.9 24.9 33.4 13.5 5 5 A Y E -ab 34 52A 18 28,-1.9 30,-3.2 -2,-0.5 2,-0.4 -0.940 35.3-143.5-148.6 166.4 25.5 29.8 12.6 6 6 A W E + b 0 53A 39 46,-1.3 48,-0.7 -2,-0.3 2,-0.3 -0.991 24.2 177.2-129.5 135.2 27.7 27.2 10.9 7 7 A S - 0 0 22 -2,-0.4 -2,-0.0 46,-0.1 46,-0.0 -0.989 18.9-170.0-142.8 132.5 26.1 24.2 9.2 8 8 A G S S+ 0 0 50 -2,-0.3 -1,-0.1 1,-0.1 45,-0.0 0.725 92.1 10.3 -93.7 -28.4 27.8 21.5 7.1 9 9 A T S S- 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.416 113.2 -92.9-127.0 -7.6 24.8 19.6 5.7 10 10 A G S > S+ 0 0 18 110,-0.0 4,-2.0 4,-0.0 5,-0.1 0.384 92.6 112.0 112.2 -3.3 21.9 22.0 6.6 11 11 A N H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.962 86.4 37.9 -67.3 -52.2 20.7 20.6 9.9 12 12 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.813 114.6 57.6 -67.7 -30.6 21.8 23.6 12.0 13 13 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 105.5 49.4 -65.3 -42.3 20.8 26.0 9.2 14 14 A K H X S+ 0 0 62 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.907 109.6 52.0 -63.7 -41.5 17.3 24.6 9.3 15 15 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.924 107.7 52.8 -59.8 -44.6 17.2 25.1 13.1 16 16 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.898 108.4 49.3 -57.0 -45.1 18.3 28.7 12.6 17 17 A E H X S+ 0 0 90 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.881 112.6 48.4 -61.2 -42.3 15.5 29.4 10.2 18 18 A L H X S+ 0 0 11 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.866 110.4 49.9 -67.4 -40.6 12.9 27.9 12.6 19 19 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.913 110.8 51.0 -64.5 -41.5 14.3 29.9 15.5 20 20 A A H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.907 105.8 55.6 -61.7 -42.0 14.0 33.0 13.3 21 21 A K H X S+ 0 0 103 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.901 106.2 51.5 -58.5 -40.5 10.4 32.1 12.5 22 22 A G H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.905 110.7 47.4 -63.2 -42.3 9.6 32.0 16.2 23 23 A I H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 3,-0.3 0.916 113.2 48.4 -65.0 -44.0 11.1 35.4 16.8 24 24 A I H ><5S+ 0 0 94 -4,-2.7 3,-2.4 1,-0.2 -2,-0.2 0.929 107.4 55.0 -63.6 -43.4 9.3 36.9 13.8 25 25 A E H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 102.3 58.7 -61.5 -26.4 6.0 35.3 15.0 26 26 A S T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.447 128.4 -99.4 -80.7 -1.5 6.5 37.1 18.3 27 27 A G T < 5S+ 0 0 69 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.414 84.6 114.0 100.7 2.5 6.6 40.4 16.4 28 28 A K < - 0 0 101 -5,-2.0 -1,-0.3 1,-0.0 2,-0.3 -0.657 60.9-119.9-109.0 159.8 10.3 41.1 16.1 29 29 A D + 0 0 114 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.666 33.4 171.8 -93.8 152.5 12.7 41.3 13.2 30 30 A V - 0 0 11 -2,-0.3 2,-0.4 2,-0.0 -28,-0.2 -0.984 20.5-150.2-159.1 146.2 15.7 39.0 12.9 31 31 A N E -a 2 0A 87 -30,-1.8 -28,-2.6 -2,-0.3 2,-0.5 -0.979 12.4-143.5-122.7 135.4 18.4 38.1 10.3 32 32 A T E -a 3 0A 61 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.894 21.8-171.8 -98.4 130.3 20.1 34.8 10.0 33 33 A I E -a 4 0A 31 -30,-3.8 -28,-1.9 -2,-0.5 2,-0.2 -0.982 22.6-130.6-128.7 127.6 23.8 35.0 9.1 34 34 A N E > -a 5 0A 42 -2,-0.4 3,-2.3 -30,-0.2 4,-0.3 -0.552 32.6-115.6 -72.2 140.2 26.2 32.2 8.2 35 35 A V G > S+ 0 0 10 -30,-3.2 3,-1.2 1,-0.3 -1,-0.1 0.800 113.1 66.0 -47.9 -31.5 29.4 32.6 10.2 36 36 A S G 3 S+ 0 0 65 -31,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.769 106.7 38.7 -62.2 -29.8 31.3 33.2 6.9 37 37 A D G < S+ 0 0 130 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.187 87.1 127.5-107.6 14.0 29.5 36.5 6.3 38 38 A V < - 0 0 29 -3,-1.2 2,-0.7 -4,-0.3 3,-0.1 -0.469 49.1-148.2 -78.6 142.1 29.3 37.9 9.8 39 39 A N > - 0 0 70 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.958 7.3-156.1-108.1 111.1 30.6 41.3 10.7 40 40 A I H > S+ 0 0 22 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.877 87.9 53.8 -55.0 -44.3 31.9 41.2 14.2 41 41 A D H 4 S+ 0 0 118 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.935 112.8 41.2 -59.9 -49.6 31.5 45.0 14.9 42 42 A E H >4 S+ 0 0 121 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.874 114.1 54.6 -67.6 -34.5 27.8 45.1 14.0 43 43 A L H >< S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.904 100.1 60.0 -66.2 -39.0 27.2 41.8 15.8 44 44 A L T 3< S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.580 93.7 66.0 -67.2 -9.4 28.7 43.1 19.0 45 45 A N T < S+ 0 0 141 -3,-1.1 -1,-0.3 -4,-0.4 2,-0.2 0.491 80.2 103.8 -88.6 -4.3 26.1 45.8 19.2 46 46 A E < - 0 0 38 -3,-1.9 3,-0.1 -4,-0.2 -3,-0.0 -0.500 68.7-142.1 -77.4 146.6 23.3 43.2 19.7 47 47 A D S S+ 0 0 103 1,-0.2 34,-1.2 -2,-0.2 2,-0.4 0.867 90.4 32.7 -76.0 -35.2 21.8 42.8 23.1 48 48 A I E S- c 0 81A 3 32,-0.1 2,-0.6 2,-0.0 -46,-0.5 -0.981 71.4-151.3-125.9 129.7 21.5 39.0 22.6 49 49 A L E -bc 2 82A 0 32,-2.7 34,-2.3 -2,-0.4 2,-0.7 -0.889 8.9-164.3-100.6 122.3 23.9 36.8 20.6 50 50 A I E +bc 3 83A 1 -48,-1.0 -46,-2.6 -2,-0.6 2,-0.4 -0.938 17.5 179.5-109.5 112.0 22.1 33.7 19.2 51 51 A L E +bc 4 84A 0 32,-2.3 34,-1.9 -2,-0.7 2,-0.4 -0.942 8.8 178.9-122.7 134.9 24.8 31.2 18.1 52 52 A G E +bc 5 85A 0 -48,-2.2 -46,-1.3 -2,-0.4 2,-0.3 -0.977 9.2 155.5-138.4 145.3 24.6 27.8 16.6 53 53 A C E -b 6 0A 0 32,-1.6 -46,-0.1 -2,-0.4 3,-0.1 -0.941 35.4-117.0-163.0 138.6 27.0 25.1 15.3 54 54 A S - 0 0 13 -48,-0.7 2,-0.5 -2,-0.3 8,-0.4 -0.281 44.0 -86.6 -74.0 167.1 26.8 21.3 14.9 55 55 A A - 0 0 22 32,-1.8 2,-0.2 6,-0.1 6,-0.2 -0.622 51.6-171.0 -79.0 121.8 28.9 18.8 16.7 56 56 A M B >> -F 60 0B 64 4,-2.8 4,-1.8 -2,-0.5 3,-0.8 -0.578 41.3 -29.1-108.0 176.9 32.2 18.2 15.0 57 57 A T T 34 S- 0 0 103 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.160 129.5 -1.9 -31.6 117.9 35.1 15.7 15.4 58 58 A D T 34 S- 0 0 148 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.850 130.4 -61.8 63.6 38.2 35.5 14.5 19.0 59 59 A E T <4 S+ 0 0 43 -3,-0.8 2,-0.3 1,-0.2 -2,-0.2 0.923 99.5 130.4 57.4 57.1 32.7 16.8 20.2 60 60 A V B < -F 56 0B 48 -4,-1.8 -4,-2.8 38,-0.0 -1,-0.2 -0.811 63.1 -90.4-130.5 170.5 34.1 20.2 19.3 61 61 A L - 0 0 7 -2,-0.3 -6,-0.1 -6,-0.2 6,-0.0 -0.485 66.5 -75.8 -75.8 153.7 32.9 23.3 17.5 62 62 A E > - 0 0 18 -8,-0.4 5,-2.9 -2,-0.1 -1,-0.2 -0.282 49.2-148.8 -54.7 130.1 33.6 23.4 13.8 63 63 A E T 5S+ 0 0 130 3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.805 79.7 49.4 -77.2 -37.0 37.3 24.2 13.5 64 64 A S T 5S+ 0 0 91 3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.764 130.8 1.0 -79.4 -25.9 38.0 26.2 10.3 65 65 A E T >5S+ 0 0 75 3,-0.1 4,-1.2 4,-0.0 -2,-0.1 0.705 126.9 46.3-128.1 -49.6 35.3 28.8 10.7 66 66 A F H >5S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -3,-0.2 0.942 109.5 50.3 -69.2 -50.9 33.2 28.7 13.8 67 67 A E H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.848 109.6 52.9 -57.7 -35.7 38.1 31.1 15.3 69 69 A F H X S+ 0 0 11 -4,-1.2 4,-2.0 2,-0.2 5,-0.2 0.940 109.0 48.2 -64.9 -44.8 35.0 33.3 15.3 70 70 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.915 111.9 50.4 -61.7 -43.3 34.2 32.4 18.9 71 71 A E H < S+ 0 0 101 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.889 108.5 52.5 -61.3 -42.4 37.9 33.0 19.9 72 72 A E H < S+ 0 0 113 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.908 115.8 37.8 -64.4 -41.7 37.8 36.4 18.2 73 73 A I H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 4,-0.3 0.666 92.0 95.6 -83.3 -13.5 34.7 37.7 20.0 74 74 A S T 3< S+ 0 0 18 -4,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.732 84.6 45.9 -48.0 -36.4 35.7 36.0 23.3 75 75 A T T 3 S+ 0 0 121 -3,-0.5 -1,-0.3 -4,-0.4 3,-0.1 0.539 113.3 49.9 -87.9 -5.9 37.4 39.0 24.9 76 76 A K S < S+ 0 0 106 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.192 94.4 69.6-118.7 18.2 34.5 41.4 23.9 77 77 A I > + 0 0 0 -3,-0.5 3,-2.3 -4,-0.3 -1,-0.1 0.294 54.7 138.9-121.8 11.1 31.4 39.7 25.2 78 78 A S T 3 S+ 0 0 94 1,-0.3 30,-0.2 -3,-0.1 29,-0.2 -0.311 79.3 14.9 -58.1 133.4 31.6 39.8 29.0 79 79 A G T 3 S+ 0 0 53 28,-2.9 -1,-0.3 1,-0.3 29,-0.2 0.367 97.1 129.9 84.1 -8.3 28.1 40.5 30.4 80 80 A K < - 0 0 44 -3,-2.3 29,-3.0 1,-0.1 2,-0.3 -0.487 59.1-120.1 -81.6 152.6 26.3 39.8 27.1 81 81 A K E -cd 48 109A 62 -34,-1.2 -32,-2.7 27,-0.2 2,-0.3 -0.715 34.0-176.0 -89.7 139.2 23.3 37.5 26.9 82 82 A V E -cd 49 110A 0 27,-2.6 29,-1.8 -2,-0.3 30,-0.5 -0.992 18.7-162.4-139.5 147.8 23.7 34.4 24.6 83 83 A A E -c 50 0A 0 -34,-2.3 -32,-2.3 -2,-0.3 2,-0.3 -0.996 19.4-156.7-127.6 131.0 21.4 31.6 23.5 84 84 A L E +c 51 0A 0 -2,-0.4 31,-2.2 28,-0.3 2,-0.3 -0.889 18.2 159.6-117.7 147.3 23.1 28.5 22.0 85 85 A F E +ce 52 115A 0 -34,-1.9 -32,-1.6 -2,-0.3 2,-0.2 -0.953 1.7 145.9-154.6 166.4 21.8 25.8 19.6 86 86 A G E - e 0 116A 0 29,-1.7 31,-1.6 -2,-0.3 2,-0.3 -0.862 37.7-103.5 167.3 161.6 22.9 23.1 17.2 87 87 A S E - e 0 117A 4 -2,-0.2 -32,-1.8 29,-0.2 2,-0.3 -0.730 33.4-176.7-101.9 152.9 22.4 19.7 15.6 88 88 A Y E - e 0 118A 46 29,-1.8 31,-2.8 -2,-0.3 -32,-0.0 -0.905 14.3-154.0-144.0 168.6 24.4 16.6 16.5 89 89 A G S S- 0 0 22 -2,-0.3 -1,-0.2 29,-0.2 29,-0.0 0.661 73.3 -5.3-108.9 -93.0 24.6 13.0 15.4 90 90 A W S S+ 0 0 245 28,-0.0 28,-0.0 2,-0.0 -2,-0.0 0.521 108.3 81.3 -89.2 -11.1 25.7 10.0 17.5 91 91 A G S S- 0 0 23 -36,-0.0 -3,-0.1 1,-0.0 -36,-0.0 0.032 79.4-118.1 -82.6-164.0 26.8 11.8 20.7 92 92 A D - 0 0 109 26,-0.0 -1,-0.0 0, 0.0 -2,-0.0 0.063 67.5 -75.9-125.9 22.0 24.8 13.0 23.7 93 93 A G S >> S+ 0 0 2 3,-0.0 4,-2.1 4,-0.0 3,-0.7 0.564 81.2 140.3 97.9 12.5 25.5 16.7 23.6 94 94 A K H 3> S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 73.1 55.5 -55.5 -43.1 29.0 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 0.859 110.4 46.4 -59.2 -33.8 30.1 19.6 22.5 96 96 A M H <> S+ 0 0 6 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.858 107.7 54.4 -76.9 -37.8 27.2 21.8 23.7 97 97 A R H X S+ 0 0 115 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 114.2 44.0 -60.0 -42.8 27.9 21.2 27.4 98 98 A D H X S+ 0 0 58 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.886 111.2 52.7 -68.7 -40.7 31.4 22.4 26.6 99 99 A F H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.931 111.7 47.4 -60.9 -44.6 30.2 25.3 24.4 100 100 A E H X S+ 0 0 71 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.935 112.1 48.4 -62.9 -46.7 27.9 26.5 27.3 101 101 A E H X S+ 0 0 137 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.913 112.1 51.4 -60.0 -41.0 30.7 26.2 29.9 102 102 A R H X S+ 0 0 62 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.940 109.5 47.2 -62.2 -49.6 33.0 28.1 27.6 103 103 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-0.6 0.888 112.6 50.4 -62.4 -36.8 30.6 31.0 27.0 104 104 A N H ><5S+ 0 0 84 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.915 105.8 57.1 -64.9 -42.0 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 0.691 101.0 56.9 -60.8 -24.2 33.7 31.3 31.3 106 106 A Y T <<5S- 0 0 60 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.366 127.2 -99.0 -86.4 0.5 34.0 34.4 29.0 107 107 A G T < 5S+ 0 0 30 -3,-2.1 -28,-2.9 1,-0.3 -3,-0.2 0.543 76.7 141.8 94.9 6.9 31.5 36.2 31.3 108 108 A C < - 0 0 4 -5,-2.0 2,-0.6 -30,-0.2 -1,-0.3 -0.379 50.8-128.6 -78.6 161.6 28.4 35.7 29.2 109 109 A V E -d 81 0A 79 -29,-3.0 -27,-2.6 -2,-0.1 2,-1.0 -0.957 15.3-147.3-113.1 110.4 24.9 35.0 30.6 110 110 A V E -d 82 0A 26 -2,-0.6 -27,-0.2 -29,-0.2 -29,-0.1 -0.750 14.4-165.2 -80.3 103.9 23.4 31.9 28.9 111 111 A V + 0 0 36 -29,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.734 61.0 14.1 -65.9 -31.0 19.7 32.9 28.9 112 112 A E S S- 0 0 69 -30,-0.5 -28,-0.3 -28,-0.0 3,-0.1 -0.891 94.3 -78.3-139.7 169.2 18.1 29.6 28.2 113 113 A T - 0 0 113 -2,-0.3 -2,-0.0 1,-0.1 -30,-0.0 -0.492 63.3-100.1 -67.3 135.1 19.0 25.9 28.1 114 114 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 -29,-0.2 -0.350 34.4-127.0 -59.0 140.8 20.9 25.3 24.8 115 115 A L E +e 85 0A 26 -31,-2.2 -29,-1.7 -3,-0.1 2,-0.4 -0.822 32.8 176.7 -93.9 118.1 18.7 23.7 22.2 116 116 A I E -e 86 0A 54 -2,-0.6 2,-0.4 -31,-0.2 -29,-0.2 -0.974 5.8-176.3-123.9 137.1 20.1 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 28.8-118.6-133.2 137.2 18.4 18.4 18.1 118 118 A Q E S-e 88 0A 108 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.690 74.1 -40.4 -79.7 123.6 19.7 15.1 16.6 119 119 A N S S+ 0 0 85 -31,-2.8 -31,-0.1 -2,-0.5 -2,-0.1 -0.211 121.4 4.6 57.6-144.6 20.2 15.3 12.9 120 120 A E S S- 0 0 116 1,-0.1 2,-2.1 -33,-0.1 3,-0.3 -0.463 78.6-116.8 -73.1 137.3 17.5 17.3 10.9 121 121 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.521 64.4 137.3 -75.3 82.5 14.8 19.0 13.0 122 122 A D S > S+ 0 0 122 -2,-2.1 3,-1.2 2,-0.1 -3,-0.0 0.900 80.3 19.4 -86.5 -73.5 11.9 17.0 11.7 123 123 A E T 3 S+ 0 0 187 -3,-0.3 3,-0.4 1,-0.3 4,-0.2 0.714 125.0 60.9 -71.4 -19.4 9.8 16.1 14.7 124 124 A A T 3> + 0 0 10 -4,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.268 67.9 109.9 -93.3 13.7 11.5 18.9 16.6 125 125 A E H <> S+ 0 0 75 -3,-1.2 4,-2.1 1,-0.2 3,-0.4 0.923 79.9 46.9 -55.6 -47.2 10.4 21.8 14.4 126 126 A Q H > S+ 0 0 102 -3,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.871 106.7 59.0 -64.4 -35.4 8.0 23.3 16.9 127 127 A D H > S+ 0 0 98 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 106.4 48.3 -59.6 -38.9 10.7 23.0 19.6 128 128 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.4 -2,-0.2 0.936 111.6 48.9 -65.9 -46.4 12.9 25.2 17.4 129 129 A I H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.931 110.9 51.1 -58.3 -44.1 10.1 27.8 16.9 130 130 A E H X S+ 0 0 70 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.836 105.2 55.3 -64.6 -33.4 9.4 27.8 20.7 131 131 A F H X S+ 0 0 12 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.918 107.8 50.8 -64.7 -42.0 13.1 28.5 21.5 132 132 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 108.0 51.8 -61.9 -42.5 12.8 31.5 19.2 133 133 A K H X S+ 0 0 62 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.871 108.6 51.3 -63.5 -35.6 9.7 32.7 21.0 134 134 A K H >< S+ 0 0 99 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.933 110.0 49.0 -66.3 -43.9 11.5 32.4 24.4 135 135 A I H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.870 104.0 59.9 -62.8 -37.8 14.5 34.4 23.1 136 136 A A H 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.696 101.5 56.6 -64.8 -17.8 12.1 37.1 21.8 137 137 A N T << 0 0 139 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.318 360.0 360.0 -96.0 5.7 10.8 37.6 25.4 138 138 A I < 0 0 91 -3,-1.7 -2,-0.1 -4,-0.1 -1,-0.1 0.957 360.0 360.0 -88.9 360.0 14.2 38.4 26.9