==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-JAN-97 2FOX . 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) . 6998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 68.1 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 . 13 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 29.7 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 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 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 45 0, 0.0 30,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 168.9 18.2 40.3 16.3 2 2 A K E -ab 31 49A 45 46,-0.5 48,-1.1 28,-0.2 2,-0.5 -0.992 360.0-165.2-131.6 137.9 20.9 38.2 14.7 3 3 A I E -ab 32 50A 0 28,-2.5 30,-3.5 -2,-0.4 2,-0.4 -0.993 11.2-170.3-119.9 120.2 21.4 34.4 14.4 4 4 A V E +ab 33 51A 1 46,-2.7 48,-2.2 -2,-0.5 2,-0.3 -0.954 18.1 158.4-112.6 133.4 25.0 33.3 13.4 5 5 A Y E -ab 34 52A 16 28,-2.0 30,-2.9 -2,-0.4 2,-0.4 -0.945 35.4-142.2-149.8 167.2 25.5 29.7 12.6 6 6 A W E + b 0 53A 30 46,-1.4 48,-0.7 -2,-0.3 2,-0.3 -0.993 23.4 176.4-129.6 136.7 27.7 27.1 10.8 7 7 A S - 0 0 21 -2,-0.4 -2,-0.0 46,-0.1 46,-0.0 -0.973 18.2-170.5-144.5 129.2 26.1 24.0 9.1 8 8 A G S S+ 0 0 51 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.801 92.6 11.9 -88.6 -34.6 27.8 21.3 7.1 9 9 A T S S- 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.451 113.3 -94.5-120.2 -8.4 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,-0.1 0.375 92.3 111.5 111.6 -2.3 21.9 21.9 6.5 11 11 A N H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.959 86.0 38.8 -69.4 -51.3 20.6 20.6 9.8 12 12 A T H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.851 113.8 58.4 -66.7 -31.3 21.8 23.5 12.0 13 13 A E H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 106.2 48.0 -63.3 -43.3 20.8 25.9 9.1 14 14 A K H X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.907 109.2 52.7 -64.1 -41.9 17.2 24.6 9.3 15 15 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.916 107.9 52.9 -59.2 -42.2 17.2 25.0 13.1 16 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.916 107.6 50.3 -58.8 -46.5 18.3 28.6 12.6 17 17 A E H X S+ 0 0 109 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.878 112.6 46.4 -59.1 -43.2 15.4 29.3 10.2 18 18 A L H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.855 111.3 51.0 -69.0 -38.4 12.9 27.8 12.6 19 19 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.920 111.3 49.1 -64.3 -41.8 14.4 29.8 15.5 20 20 A A H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.923 106.8 56.0 -61.9 -43.5 14.1 32.9 13.3 21 21 A K H X S+ 0 0 108 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.902 106.5 50.9 -55.8 -42.1 10.5 32.0 12.5 22 22 A G H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.882 110.6 47.6 -64.0 -39.7 9.8 32.0 16.2 23 23 A I H <>S+ 0 0 0 -4,-1.8 5,-1.8 2,-0.2 3,-0.4 0.930 113.5 48.2 -67.5 -43.1 11.3 35.4 16.8 24 24 A I H ><5S+ 0 0 89 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.911 107.3 54.7 -64.5 -41.8 9.4 36.9 13.8 25 25 A E H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 100.7 61.8 -63.1 -25.9 6.1 35.3 15.0 26 26 A S T 3<5S- 0 0 49 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.432 126.8-103.9 -77.3 -1.3 6.8 37.2 18.3 27 27 A G T < 5S+ 0 0 72 -3,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.445 85.2 114.5 93.4 2.9 6.6 40.4 16.2 28 28 A K < - 0 0 100 -5,-1.8 -1,-0.3 1,-0.0 2,-0.2 -0.698 62.2-121.2-106.0 155.8 10.4 41.1 16.1 29 29 A D + 0 0 114 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 -0.603 31.4 175.8 -91.7 159.5 12.7 41.1 13.2 30 30 A V - 0 0 10 -2,-0.2 2,-0.4 2,-0.0 -28,-0.2 -0.979 19.0-149.2-162.9 144.0 15.8 38.9 12.8 31 31 A N E -a 2 0A 91 -30,-2.2 -28,-2.5 -2,-0.3 2,-0.5 -0.974 11.8-145.1-120.8 135.2 18.5 38.1 10.3 32 32 A T E -a 3 0A 62 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.897 20.7-172.1-100.9 126.9 20.2 34.7 10.0 33 33 A I E -a 4 0A 31 -30,-3.5 -28,-2.0 -2,-0.5 2,-0.2 -0.974 23.3-129.8-124.0 131.0 23.9 34.9 9.0 34 34 A N E > -a 5 0A 43 -2,-0.4 3,-2.1 -30,-0.2 4,-0.3 -0.550 32.6-117.0 -72.4 140.9 26.3 32.1 8.1 35 35 A V G > S+ 0 0 8 -30,-2.9 3,-1.1 1,-0.3 -1,-0.1 0.816 113.3 61.6 -51.9 -29.9 29.5 32.5 10.2 36 36 A S G 3 S+ 0 0 68 1,-0.2 -1,-0.3 -31,-0.2 -30,-0.1 0.728 107.8 42.7 -71.1 -19.7 31.5 33.1 7.0 37 37 A D G < S+ 0 0 126 -3,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.237 88.4 124.6-108.4 11.0 29.6 36.2 6.1 38 38 A V < - 0 0 32 -3,-1.1 2,-0.7 -4,-0.3 3,-0.1 -0.404 51.7-147.3 -77.3 146.6 29.4 37.7 9.7 39 39 A N > - 0 0 73 1,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.946 6.5-160.1-113.2 104.6 30.7 41.2 10.5 40 40 A I H > S+ 0 0 26 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.904 87.2 57.9 -50.3 -47.4 32.1 41.0 14.1 41 41 A D H 4 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.911 112.9 37.5 -50.7 -53.6 31.8 44.8 14.6 42 42 A E H >4 S+ 0 0 123 1,-0.2 3,-1.9 -3,-0.2 4,-0.3 0.910 112.2 58.5 -68.5 -41.6 28.1 44.9 13.9 43 43 A L H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.879 98.0 61.7 -56.5 -38.8 27.3 41.6 15.7 44 44 A L T 3< S+ 0 0 32 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.548 91.8 65.7 -68.1 -8.0 28.8 43.0 18.9 45 45 A N T < S+ 0 0 148 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.583 81.3 107.1 -88.0 -9.2 26.2 45.8 19.1 46 46 A E < - 0 0 38 -3,-1.7 3,-0.1 -4,-0.3 -3,-0.0 -0.365 67.5-142.1 -71.5 145.3 23.4 43.1 19.6 47 47 A D S S+ 0 0 107 1,-0.2 34,-1.2 -2,-0.1 2,-0.4 0.922 90.6 27.9 -73.0 -42.1 21.8 42.7 23.0 48 48 A I E S- c 0 81A 5 32,-0.1 2,-0.6 2,-0.0 -46,-0.5 -0.967 71.6-148.3-123.7 134.6 21.6 38.9 22.6 49 49 A L E -bc 2 82A 0 32,-2.7 34,-2.4 -2,-0.4 2,-0.7 -0.912 10.0-163.1-102.4 119.9 23.9 36.7 20.5 50 50 A I E -bc 3 83A 1 -48,-1.1 -46,-2.7 -2,-0.6 2,-0.4 -0.929 17.8-179.8-105.9 109.4 22.2 33.6 19.1 51 51 A L E +bc 4 84A 0 32,-2.6 34,-2.0 -2,-0.7 2,-0.4 -0.945 8.5 179.2-120.2 133.1 24.9 31.1 18.0 52 52 A G E +bc 5 85A 0 -48,-2.2 -46,-1.4 -2,-0.4 2,-0.3 -0.971 9.6 154.8-135.5 142.9 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 -0.928 35.6-118.3-162.0 137.6 27.0 25.0 15.3 54 54 A S - 0 0 17 -48,-0.7 2,-0.4 -2,-0.3 8,-0.4 -0.249 44.3 -87.1 -72.9 163.7 26.7 21.2 14.8 55 55 A A + 0 0 26 32,-1.8 2,-0.2 6,-0.1 6,-0.2 -0.617 60.3 175.2 -74.1 122.4 28.8 18.7 16.7 56 56 A M B > +F 60 0B 69 4,-2.7 4,-2.7 -2,-0.4 3,-0.2 -0.732 40.2 2.0-124.8 175.8 32.0 18.3 14.7 57 57 A G T 4 S- 0 0 50 -2,-0.2 2,-0.8 1,-0.2 5,-0.1 -0.151 130.0 -23.6 46.6-131.9 35.4 16.5 14.9 58 58 A D T 4 S- 0 0 146 1,-0.1 -1,-0.2 37,-0.0 -2,-0.0 -0.785 127.3 -45.1-109.7 82.6 35.4 14.5 18.2 59 59 A E T 4 S+ 0 0 36 -2,-0.8 2,-0.3 1,-0.2 -2,-0.2 0.893 109.4 117.7 59.9 50.8 32.7 16.5 20.1 60 60 A V B < S-F 56 0B 57 -4,-2.7 -4,-2.7 38,-0.0 -1,-0.2 -0.853 70.7 -88.2-135.9 169.8 34.1 20.0 19.2 61 61 A L - 0 0 7 -2,-0.3 -6,-0.1 -6,-0.2 6,-0.0 -0.477 67.6 -75.0 -74.8 153.3 32.9 23.2 17.4 62 62 A E > - 0 0 16 -8,-0.4 5,-2.7 1,-0.1 -1,-0.2 -0.277 50.0-147.8 -53.4 127.3 33.6 23.2 13.7 63 63 A E T 5S+ 0 0 128 3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.762 79.8 48.6 -74.6 -34.1 37.3 23.9 13.4 64 64 A S T 5S+ 0 0 88 3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.760 130.1 1.2 -84.8 -24.2 38.0 25.9 10.3 65 65 A E T >5S+ 0 0 78 3,-0.1 4,-1.3 -3,-0.1 -2,-0.1 0.678 127.5 45.8-128.9 -50.5 35.4 28.7 10.6 66 66 A F H >5S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -3,-0.2 0.929 110.8 51.2 -69.9 -45.4 33.2 28.6 13.7 67 67 A E H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.854 110.1 54.5 -58.9 -36.4 38.2 30.8 15.2 69 69 A F H X S+ 0 0 13 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.915 107.1 49.4 -62.9 -44.2 35.1 33.1 15.2 70 70 A I H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.904 112.2 48.4 -62.6 -39.9 34.4 32.2 18.8 71 71 A E H < S+ 0 0 100 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.882 108.3 55.9 -65.1 -42.2 38.0 32.9 19.8 72 72 A E H >< S+ 0 0 110 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.935 115.8 34.5 -55.8 -52.0 37.8 36.2 17.9 73 73 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 4,-0.4 0.603 92.0 96.5 -82.0 -11.9 34.8 37.5 19.9 74 74 A S T 3< S+ 0 0 22 -4,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.758 85.0 46.9 -48.9 -36.4 35.8 35.9 23.2 75 75 A T T < S+ 0 0 117 -3,-0.5 -1,-0.3 -4,-0.4 3,-0.2 0.577 113.3 48.8 -85.1 -9.7 37.5 39.0 24.6 76 76 A K S < S+ 0 0 108 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.265 95.3 69.6-115.1 13.0 34.7 41.4 23.7 77 77 A I > + 0 0 0 -3,-0.4 3,-2.3 -4,-0.4 -1,-0.1 0.316 54.8 137.8-117.9 10.7 31.5 39.6 24.9 78 78 A S T 3 S+ 0 0 95 1,-0.3 30,-0.2 -3,-0.2 29,-0.2 -0.303 78.7 17.3 -57.7 135.0 31.8 39.8 28.7 79 79 A G T 3 S+ 0 0 57 28,-2.5 -1,-0.3 1,-0.3 29,-0.2 0.310 97.5 130.4 85.0 -10.3 28.3 40.6 30.2 80 80 A K < - 0 0 53 -3,-2.3 29,-2.9 1,-0.1 2,-0.4 -0.442 58.2-122.4 -81.2 150.1 26.5 39.7 27.0 81 81 A K E -cd 48 109A 71 -34,-1.2 -32,-2.7 27,-0.2 2,-0.3 -0.735 33.1-175.3 -89.1 137.2 23.5 37.4 26.8 82 82 A V E -cd 49 110A 0 27,-2.4 29,-1.6 -2,-0.4 30,-0.5 -0.978 18.8-162.0-136.8 148.6 23.8 34.3 24.5 83 83 A A E -c 50 0A 0 -34,-2.4 -32,-2.6 -2,-0.3 2,-0.4 -0.998 19.0-156.9-128.2 132.1 21.5 31.5 23.4 84 84 A L E +c 51 0A 0 -2,-0.4 31,-2.2 28,-0.3 2,-0.3 -0.895 18.2 158.9-118.0 145.0 23.2 28.4 21.9 85 85 A F E +ce 52 115A 0 -34,-2.0 -32,-1.8 -2,-0.4 2,-0.2 -0.947 1.2 147.6-152.6 169.8 21.9 25.7 19.6 86 86 A G E - e 0 116A 0 29,-1.7 31,-1.5 -2,-0.3 2,-0.3 -0.817 37.9-103.2 163.8 156.2 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 -0.653 34.8-176.7 -94.0 151.2 22.4 19.7 15.5 88 88 A Y E - e 0 118A 47 29,-1.7 31,-3.1 -2,-0.3 -32,-0.0 -0.882 14.8-157.4-141.4 171.4 24.3 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 0.641 73.2 -3.8-115.1 -84.9 24.5 12.9 15.4 90 90 A W S S+ 0 0 227 28,-0.0 28,-0.0 2,-0.0 -2,-0.0 0.595 107.5 79.8 -94.8 -16.2 25.8 10.0 17.6 91 91 A G S S- 0 0 21 1,-0.1 -3,-0.1 -36,-0.0 -36,-0.0 0.018 79.1-118.3 -80.5-168.2 26.8 11.7 20.8 92 92 A D - 0 0 114 -4,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.016 68.7 -74.9-122.3 26.1 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,-0.6 0.568 80.9 140.8 96.0 12.0 25.6 16.7 23.6 94 94 A K H 3> S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 73.3 54.7 -53.6 -44.6 29.2 16.8 25.0 95 95 A W H 3> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 110.8 46.9 -60.0 -33.9 30.2 19.5 22.5 96 96 A M H <> S+ 0 0 5 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.857 107.4 54.1 -77.5 -35.5 27.3 21.7 23.6 97 97 A R H X S+ 0 0 123 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.926 114.1 44.6 -61.7 -40.7 28.0 21.2 27.4 98 98 A D H X S+ 0 0 59 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.888 111.2 51.8 -68.7 -42.0 31.5 22.4 26.6 99 99 A F H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.923 112.2 47.2 -61.1 -45.9 30.3 25.3 24.4 100 100 A E H X S+ 0 0 68 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.920 112.2 48.7 -62.9 -46.6 28.0 26.5 27.2 101 101 A E H X S+ 0 0 139 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.917 112.4 50.8 -58.8 -42.1 30.8 26.2 29.8 102 102 A R H X S+ 0 0 64 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.941 109.8 46.9 -61.7 -50.2 33.1 28.1 27.5 103 103 A M H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-0.4 0.888 112.5 51.3 -62.1 -37.0 30.7 31.0 26.9 104 104 A N H ><5S+ 0 0 88 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.902 106.1 55.4 -64.5 -40.7 30.0 31.2 30.6 105 105 A G H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.711 101.1 58.3 -64.7 -24.4 33.8 31.3 31.2 106 106 A Y T 3<5S- 0 0 60 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.422 126.8 -99.4 -83.6 -1.5 34.0 34.3 28.9 107 107 A G T < 5S+ 0 0 32 -3,-1.6 -28,-2.5 1,-0.3 -3,-0.2 0.534 77.3 139.9 96.1 5.9 31.6 36.2 31.1 108 108 A C < - 0 0 5 -5,-2.1 2,-0.6 -30,-0.2 -1,-0.3 -0.454 51.1-129.4 -79.7 156.1 28.4 35.7 29.0 109 109 A V E -d 81 0A 71 -29,-2.9 -27,-2.4 -2,-0.1 2,-1.0 -0.938 15.3-143.3-108.8 115.7 25.1 34.9 30.6 110 110 A V E -d 82 0A 25 -2,-0.6 -27,-0.2 -29,-0.2 -29,-0.1 -0.784 16.2-167.3 -81.2 102.0 23.5 31.9 28.9 111 111 A V + 0 0 36 -29,-1.6 2,-0.3 -2,-1.0 -1,-0.2 0.821 62.4 16.8 -62.5 -40.0 19.8 32.9 28.9 112 112 A E S S- 0 0 66 -30,-0.5 -28,-0.3 3,-0.0 3,-0.1 -0.859 93.5 -83.5-131.6 166.9 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 -0.471 62.0 -97.1 -68.1 134.9 19.1 25.9 28.1 114 114 A P - 0 0 18 0, 0.0 2,-0.7 0, 0.0 -29,-0.2 -0.325 35.2-129.8 -55.9 139.3 21.0 25.2 24.8 115 115 A L E +e 85 0A 27 -31,-2.2 -29,-1.7 -3,-0.1 2,-0.4 -0.840 31.8 175.5 -95.9 117.5 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 -0.981 6.6-174.9-123.9 136.6 20.2 20.5 20.6 117 117 A V E -e 87 0A 14 -31,-1.5 -29,-1.7 -2,-0.4 2,-0.5 -0.989 27.9-118.2-130.5 137.4 18.4 18.3 18.1 118 118 A Q E S-e 88 0A 107 -2,-0.4 -29,-0.2 -31,-0.2 6,-0.1 -0.657 73.8 -38.4 -80.1 125.3 19.6 15.0 16.7 119 119 A N S S+ 0 0 79 -31,-3.1 -31,-0.1 -2,-0.5 -2,-0.1 -0.252 120.8 1.1 59.9-142.8 20.1 15.1 12.9 120 120 A E S S- 0 0 91 1,-0.1 2,-0.8 -33,-0.1 3,-0.3 -0.484 79.4-112.7 -77.5 142.9 17.5 17.1 10.9 121 121 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.665 66.5 131.1 -75.0 107.5 14.7 18.9 12.9 122 122 A D S > S+ 0 0 101 -2,-0.8 3,-1.0 3,-0.0 4,-0.2 0.553 82.2 21.8-118.0 -65.7 11.6 17.0 11.8 123 123 A E T 3 S+ 0 0 174 -3,-0.3 3,-0.5 1,-0.2 4,-0.2 0.823 125.2 57.6 -74.4 -29.3 9.8 16.1 15.0 124 124 A A T 3> S+ 0 0 15 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.307 70.8 109.5 -87.2 11.7 11.5 18.9 16.8 125 125 A E H <> S+ 0 0 74 -3,-1.0 4,-2.0 1,-0.2 3,-0.4 0.906 80.3 46.1 -54.8 -46.5 10.3 21.7 14.5 126 126 A Q H > S+ 0 0 103 -3,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.886 107.0 59.0 -65.5 -37.9 8.0 23.3 17.0 127 127 A D H > S+ 0 0 94 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.841 106.1 49.9 -56.7 -37.0 10.7 23.1 19.7 128 128 A C H X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.2 0.934 111.1 47.2 -67.3 -47.6 12.9 25.2 17.5 129 129 A I H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 112.0 51.6 -59.9 -43.7 10.1 27.8 16.9 130 130 A E H X S+ 0 0 67 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.828 105.5 54.5 -62.7 -34.3 9.4 27.9 20.7 131 131 A F H X S+ 0 0 11 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.923 108.2 50.2 -65.4 -42.4 13.1 28.5 21.5 132 132 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.907 109.7 51.1 -61.4 -41.8 12.9 31.5 19.2 133 133 A K H < S+ 0 0 68 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.858 107.8 51.7 -65.1 -36.6 9.8 32.7 21.0 134 134 A K H >< S+ 0 0 97 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.906 111.0 48.5 -66.1 -40.4 11.6 32.4 24.4 135 135 A I H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.898 107.7 52.8 -66.9 -41.6 14.5 34.4 23.2 136 136 A A T 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.588 104.6 60.7 -71.1 -6.8 12.3 37.2 21.7 137 137 A N T < 0 0 140 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.279 360.0 360.0-102.0 6.2 10.7 37.3 25.2 138 138 A I < 0 0 100 -3,-1.6 -2,-0.2 -90,-0.0 -1,-0.1 0.878 360.0 360.0 -97.3 360.0 13.9 38.3 27.0