==== 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 19-DEC-96 2FVX . 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) . 6959.0 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 . 12 8.7 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 47 0, 0.0 30,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.6 18.2 40.5 16.5 2 2 A K E -ab 31 49A 34 46,-0.6 48,-1.2 28,-0.2 2,-0.5 -0.996 360.0-162.5-138.6 140.1 20.8 38.2 14.9 3 3 A I E -ab 32 50A 0 28,-2.6 30,-3.7 -2,-0.4 2,-0.4 -0.983 11.6-170.9-120.3 121.0 21.4 34.5 14.6 4 4 A V E +ab 33 51A 0 46,-2.7 48,-2.2 -2,-0.5 2,-0.3 -0.958 17.6 159.2-114.3 132.8 24.9 33.4 13.6 5 5 A Y E -ab 34 52A 14 28,-1.8 30,-3.1 -2,-0.4 2,-0.4 -0.940 34.8-144.0-149.0 164.6 25.5 29.7 12.7 6 6 A W E + b 0 53A 33 46,-1.5 48,-0.6 -2,-0.3 2,-0.3 -0.990 23.9 177.5-127.4 137.3 27.7 27.2 11.0 7 7 A S - 0 0 23 -2,-0.4 -2,-0.0 46,-0.1 46,-0.0 -0.980 19.0-169.7-144.8 130.1 26.1 24.2 9.3 8 8 A G S S+ 0 0 47 -2,-0.3 -1,-0.1 1,-0.1 45,-0.0 0.803 92.1 10.2 -88.2 -34.9 27.8 21.4 7.3 9 9 A T S S- 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.410 113.0 -92.7-123.4 -4.5 24.8 19.6 5.7 10 10 A G S > S+ 0 0 19 110,-0.0 4,-2.1 4,-0.0 5,-0.2 0.354 93.0 111.6 110.2 -3.7 22.0 22.0 6.6 11 11 A N H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.961 86.2 38.4 -68.7 -49.8 20.6 20.7 9.9 12 12 A T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.838 113.9 58.0 -68.6 -31.9 21.8 23.6 12.0 13 13 A E H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 106.2 48.4 -62.5 -44.0 20.8 26.0 9.2 14 14 A K H X S+ 0 0 50 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.909 109.7 52.2 -63.9 -40.6 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 -1,-0.2 0.921 108.0 53.1 -60.2 -42.9 17.2 25.0 13.1 16 16 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.899 107.8 49.2 -57.4 -47.3 18.3 28.7 12.6 17 17 A E H X S+ 0 0 100 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.883 112.7 48.0 -60.7 -41.0 15.5 29.4 10.2 18 18 A L H X S+ 0 0 11 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.860 110.4 50.0 -69.0 -41.0 12.9 27.9 12.6 19 19 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.913 111.6 50.8 -63.1 -40.7 14.3 29.8 15.6 20 20 A A H X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.941 106.2 54.5 -61.3 -45.7 14.1 33.0 13.4 21 21 A K H X S+ 0 0 109 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.898 106.7 52.1 -55.6 -41.3 10.5 32.2 12.5 22 22 A G H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.897 110.6 46.9 -63.1 -41.2 9.7 32.0 16.2 23 23 A I H <>S+ 0 0 0 -4,-1.9 5,-1.7 2,-0.2 3,-0.4 0.925 113.6 48.1 -66.7 -44.0 11.2 35.4 16.8 24 24 A I H ><5S+ 0 0 89 -4,-2.9 3,-2.3 1,-0.2 -2,-0.2 0.907 107.6 55.0 -63.7 -41.8 9.4 36.9 13.9 25 25 A E H 3<5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 101.4 59.8 -62.4 -27.3 6.0 35.4 15.0 26 26 A S T 3<5S- 0 0 43 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.454 127.5-102.9 -78.0 -3.1 6.6 37.1 18.3 27 27 A G T < 5S+ 0 0 68 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.367 84.6 111.0 100.0 -2.0 6.6 40.4 16.3 28 28 A K < - 0 0 98 -5,-1.7 -1,-0.3 1,-0.0 2,-0.2 -0.560 63.0-117.9-102.6 164.6 10.3 41.2 16.2 29 29 A D + 0 0 113 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.649 31.6 175.9 -98.8 159.5 12.8 41.2 13.3 30 30 A V - 0 0 11 -2,-0.2 2,-0.4 2,-0.0 -28,-0.2 -0.968 19.1-148.2-162.7 144.9 15.8 39.0 13.0 31 31 A N E -a 2 0A 78 -30,-1.8 -28,-2.6 -2,-0.3 2,-0.5 -0.969 11.7-146.2-119.1 134.9 18.6 38.2 10.5 32 32 A T E -a 3 0A 62 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.911 20.3-172.8-102.2 127.8 20.2 34.8 10.1 33 33 A I E -a 4 0A 33 -30,-3.7 -28,-1.8 -2,-0.5 2,-0.2 -0.980 23.6-130.0-126.1 129.2 23.9 35.0 9.2 34 34 A N E > -a 5 0A 38 -2,-0.4 3,-2.3 -30,-0.2 4,-0.4 -0.565 33.1-115.6 -71.9 141.3 26.2 32.2 8.2 35 35 A V G > S+ 0 0 8 -30,-3.1 3,-0.9 1,-0.3 -1,-0.1 0.778 112.3 62.5 -51.5 -30.4 29.4 32.5 10.3 36 36 A S G 3 S+ 0 0 70 -31,-0.2 -1,-0.3 1,-0.2 -30,-0.1 0.700 107.9 41.6 -71.5 -17.9 31.5 33.1 7.2 37 37 A D G < S+ 0 0 126 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 0.269 87.5 123.7-110.4 8.3 29.7 36.4 6.3 38 38 A V < - 0 0 30 -3,-0.9 2,-0.6 -4,-0.4 -3,-0.0 -0.403 51.9-147.0 -76.2 145.8 29.4 37.8 9.8 39 39 A N > - 0 0 74 1,-0.1 4,-2.3 -2,-0.1 3,-0.3 -0.963 9.0-157.7-111.3 109.2 30.7 41.3 10.7 40 40 A I H > S+ 0 0 29 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.872 87.0 56.6 -57.1 -40.4 31.9 41.1 14.3 41 41 A D H 4 S+ 0 0 120 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.896 112.0 42.6 -62.4 -38.2 31.6 44.8 15.1 42 42 A E H >4 S+ 0 0 115 -3,-0.3 3,-2.0 1,-0.2 4,-0.4 0.936 111.0 55.6 -71.6 -45.5 28.0 44.9 14.1 43 43 A L H >< S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.875 99.1 61.9 -55.5 -38.8 27.2 41.6 15.9 44 44 A L T 3< S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.581 91.5 67.3 -66.8 -10.8 28.6 43.0 19.2 45 45 A N T < S+ 0 0 139 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.630 80.6 101.6 -82.5 -14.3 26.0 45.8 19.2 46 46 A E < - 0 0 43 -3,-1.8 3,-0.1 -4,-0.4 -3,-0.0 -0.394 69.0-143.3 -72.1 146.0 23.2 43.2 19.8 47 47 A D S S+ 0 0 114 1,-0.2 34,-1.3 -2,-0.1 2,-0.4 0.811 91.3 34.0 -78.6 -28.4 21.8 42.7 23.3 48 48 A I E S- c 0 81A 6 32,-0.1 -46,-0.6 2,-0.0 2,-0.6 -0.993 70.4-154.4-131.3 126.5 21.5 38.9 22.7 49 49 A L E -bc 2 82A 1 32,-2.6 34,-2.4 -2,-0.4 2,-0.6 -0.887 8.5-163.5 -98.4 122.9 23.9 36.8 20.6 50 50 A I E -bc 3 83A 0 -48,-1.2 -46,-2.7 -2,-0.6 2,-0.4 -0.947 17.5-178.9-109.2 112.7 22.1 33.6 19.3 51 51 A L E -bc 4 84A 0 32,-2.5 34,-1.9 -2,-0.6 2,-0.4 -0.943 8.7-179.4-121.7 136.8 24.8 31.2 18.2 52 52 A G E +bc 5 85A 0 -48,-2.2 -46,-1.5 -2,-0.4 2,-0.3 -0.984 10.1 155.0-139.3 143.2 24.6 27.7 16.6 53 53 A C E -b 6 0A 0 32,-1.7 -46,-0.1 -2,-0.4 3,-0.1 -0.942 34.6-120.2-161.2 137.9 27.0 25.0 15.4 54 54 A S - 0 0 15 -48,-0.6 8,-0.4 -2,-0.3 2,-0.3 -0.295 43.1 -88.2 -75.5 166.1 26.7 21.3 15.0 55 55 A A - 0 0 23 32,-1.5 2,-0.3 6,-0.1 6,-0.2 -0.588 55.9-175.5 -75.2 130.8 28.9 18.8 16.8 56 56 A M B > -F 60 0B 67 4,-2.5 4,-2.0 -2,-0.3 2,-0.5 -0.869 45.1 -9.0-131.1 164.5 32.1 18.1 14.8 57 57 A T T 4 S- 0 0 103 -2,-0.3 2,-0.3 1,-0.2 5,-0.1 -0.343 132.5 -20.4 54.9-101.7 35.2 16.0 14.8 58 58 A D T 4 S- 0 0 120 -2,-0.5 -1,-0.2 3,-0.1 3,-0.1 -0.808 123.4 -45.0-139.2 88.9 34.8 14.5 18.3 59 59 A E T 4 S+ 0 0 33 -2,-0.3 2,-0.3 1,-0.2 -2,-0.2 0.822 106.5 111.4 56.5 43.9 32.4 16.6 20.4 60 60 A V B < S-F 56 0B 56 -4,-2.0 -4,-2.5 38,-0.0 -1,-0.2 -0.818 72.8 -87.5-134.0 174.8 33.9 20.0 19.6 61 61 A L - 0 0 8 -2,-0.3 -3,-0.1 -6,-0.2 -6,-0.1 -0.491 63.1 -79.2 -79.6 154.3 32.9 23.1 17.6 62 62 A E > - 0 0 17 -8,-0.4 5,-2.8 -2,-0.1 -1,-0.1 -0.339 47.7-150.1 -56.8 131.0 33.6 23.3 13.9 63 63 A E T 5S+ 0 0 114 3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.777 78.5 50.5 -81.1 -32.9 37.3 24.1 13.7 64 64 A S T 5S+ 0 0 88 3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.765 129.9 2.0 -82.7 -25.6 38.0 26.1 10.5 65 65 A E T >5S+ 0 0 75 3,-0.1 4,-1.3 4,-0.0 -2,-0.1 0.698 128.2 44.3-126.2 -50.7 35.3 28.7 10.8 66 66 A F H >5S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.940 110.1 51.2 -70.3 -50.4 33.2 28.6 13.9 67 67 A E H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.863 109.6 53.8 -58.4 -38.2 38.1 31.0 15.4 69 69 A F H X S+ 0 0 13 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.938 109.3 47.3 -60.7 -46.1 35.0 33.2 15.4 70 70 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.908 112.5 49.6 -62.6 -41.7 34.2 32.3 19.0 71 71 A E H < S+ 0 0 104 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.904 108.9 54.5 -60.3 -45.4 37.9 32.9 19.9 72 72 A E H < S+ 0 0 109 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.916 116.0 34.9 -55.6 -49.9 37.7 36.3 18.2 73 73 A I H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 4,-0.3 0.625 91.2 97.1 -84.3 -10.6 34.7 37.6 20.1 74 74 A S G >< S+ 0 0 18 -4,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.771 84.9 46.4 -48.5 -37.9 35.6 35.9 23.4 75 75 A T G 3 S+ 0 0 118 -3,-0.4 -1,-0.3 -4,-0.4 3,-0.1 0.532 112.8 49.1 -85.9 -5.9 37.3 39.0 24.9 76 76 A K G < S+ 0 0 94 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.199 95.9 68.5-120.2 18.5 34.5 41.4 24.0 77 77 A I X + 0 0 0 -3,-0.5 3,-2.5 -4,-0.3 -1,-0.1 0.292 55.0 139.2-122.4 8.9 31.4 39.7 25.2 78 78 A S T 3 S+ 0 0 93 1,-0.3 30,-0.2 -3,-0.1 29,-0.2 -0.305 79.8 15.5 -55.3 134.5 31.6 39.7 29.0 79 79 A G T 3 S+ 0 0 57 28,-2.8 -1,-0.3 1,-0.3 29,-0.2 0.386 97.1 130.6 81.4 -5.7 28.2 40.5 30.4 80 80 A K < - 0 0 48 -3,-2.5 29,-3.1 1,-0.1 2,-0.4 -0.495 59.3-119.1 -83.0 153.3 26.3 39.7 27.1 81 81 A K E -cd 48 109A 69 -34,-1.3 -32,-2.6 27,-0.2 2,-0.3 -0.726 35.2-176.8 -88.5 137.5 23.3 37.5 26.9 82 82 A V E -cd 49 110A 0 27,-2.5 29,-1.8 -2,-0.4 30,-0.5 -0.983 18.3-162.0-137.5 148.4 23.7 34.4 24.6 83 83 A A E -c 50 0A 0 -34,-2.4 -32,-2.5 -2,-0.3 2,-0.4 -0.998 18.6-156.2-128.9 131.1 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 -0.886 18.7 158.8-117.4 145.7 23.1 28.5 22.1 85 85 A F E +ce 52 115A 0 -34,-1.9 -32,-1.7 -2,-0.4 2,-0.3 -0.959 1.3 146.7-154.1 166.1 21.8 25.8 19.7 86 86 A G E - e 0 116A 0 29,-1.9 31,-1.5 -2,-0.3 2,-0.3 -0.865 37.2-105.9 167.9 160.1 22.9 23.1 17.3 87 87 A S E - e 0 117A 3 -2,-0.3 -32,-1.5 29,-0.2 2,-0.3 -0.692 31.9-174.4-100.6 154.1 22.3 19.7 15.7 88 88 A Y E - e 0 118A 45 29,-1.6 31,-2.9 -2,-0.3 -32,-0.0 -0.919 16.4-150.8-142.3 169.0 24.3 16.5 16.5 89 89 A G S S- 0 0 28 -2,-0.3 -1,-0.1 29,-0.2 29,-0.0 0.867 75.6 -9.5-111.7 -55.3 24.5 13.0 15.3 90 90 A W S S+ 0 0 212 28,-0.0 28,-0.0 29,-0.0 -2,-0.0 0.556 105.4 79.7-126.8 -16.5 25.5 10.2 17.7 91 91 A G S S- 0 0 23 1,-0.0 -3,-0.1 -36,-0.0 -36,-0.0 0.076 79.8-113.6 -78.9-162.4 26.7 11.7 21.0 92 92 A D - 0 0 114 26,-0.0 -1,-0.0 0, 0.0 26,-0.0 -0.023 69.2 -73.4-125.1 26.6 24.6 13.0 23.8 93 93 A G S > S+ 0 0 2 3,-0.1 4,-2.1 4,-0.0 3,-0.5 0.625 80.4 141.5 95.9 16.3 25.4 16.7 23.7 94 94 A K H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 74.6 54.5 -56.0 -45.1 29.0 16.8 25.1 95 95 A W H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 110.9 46.4 -57.9 -34.6 30.0 19.5 22.6 96 96 A M H > S+ 0 0 6 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.856 108.1 54.2 -78.4 -34.8 27.1 21.7 23.7 97 97 A R H X S+ 0 0 122 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.934 113.8 44.4 -62.1 -42.1 27.8 21.2 27.5 98 98 A D H X S+ 0 0 55 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.886 111.0 53.2 -68.0 -40.7 31.4 22.3 26.7 99 99 A F H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.925 110.7 47.1 -61.7 -45.5 30.2 25.3 24.5 100 100 A E H X S+ 0 0 67 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.911 111.9 49.8 -63.9 -42.3 27.9 26.5 27.3 101 101 A E H X S+ 0 0 138 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.918 111.5 51.0 -61.0 -42.2 30.7 26.2 29.9 102 102 A R H X S+ 0 0 62 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.947 109.6 47.0 -60.9 -50.8 33.0 28.1 27.6 103 103 A M H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-0.4 0.880 112.6 51.2 -62.1 -36.2 30.6 31.0 27.0 104 104 A N H ><5S+ 0 0 87 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.922 105.3 55.9 -64.9 -43.1 29.9 31.2 30.8 105 105 A G H 3<5S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.712 101.5 57.9 -62.0 -23.3 33.7 31.3 31.4 106 106 A Y T 3<5S- 0 0 60 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.433 126.9 -99.8 -84.5 -2.4 33.9 34.3 29.1 107 107 A G T < 5S+ 0 0 30 -3,-2.1 -28,-2.8 1,-0.3 -3,-0.2 0.539 75.7 143.3 95.9 7.6 31.5 36.2 31.3 108 108 A C < - 0 0 5 -5,-2.1 2,-0.6 -30,-0.2 -1,-0.3 -0.377 49.9-129.6 -77.6 160.1 28.4 35.6 29.2 109 109 A V E -d 81 0A 79 -29,-3.1 -27,-2.5 -2,-0.1 2,-1.1 -0.960 15.8-146.8-111.6 110.9 24.9 35.0 30.6 110 110 A V E -d 82 0A 24 -2,-0.6 -27,-0.2 -29,-0.2 -29,-0.1 -0.741 13.3-164.2 -81.3 101.8 23.4 32.0 28.9 111 111 A V + 0 0 34 -29,-1.8 2,-0.3 -2,-1.1 -1,-0.2 0.679 61.6 15.2 -64.0 -25.8 19.7 33.0 28.8 112 112 A E S S- 0 0 64 -30,-0.5 -28,-0.3 3,-0.0 3,-0.1 -0.934 92.3 -80.7-144.5 167.2 18.1 29.6 28.1 113 113 A T - 0 0 112 -2,-0.3 -2,-0.0 1,-0.1 2,-0.0 -0.484 64.2 -99.8 -65.9 134.2 18.9 25.9 28.2 114 114 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 -29,-0.2 -0.360 33.3-128.0 -58.7 141.4 20.8 25.2 24.9 115 115 A L E +e 85 0A 26 -31,-2.2 -29,-1.9 -3,-0.1 2,-0.4 -0.816 32.4 175.5 -95.2 116.9 18.6 23.7 22.2 116 116 A I E -e 86 0A 56 -2,-0.7 2,-0.4 -31,-0.2 -29,-0.2 -0.977 6.2-176.1-123.3 136.6 20.1 20.5 20.7 117 117 A V E -e 87 0A 15 -31,-1.5 -29,-1.6 -2,-0.4 2,-0.5 -0.984 27.9-120.1-130.9 138.6 18.3 18.4 18.1 118 118 A Q E S-e 88 0A 101 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.714 73.8 -35.6 -83.3 127.1 19.6 15.1 16.7 119 119 A N S S+ 0 0 83 -31,-2.9 -31,-0.2 -2,-0.5 -2,-0.1 -0.176 120.9 0.3 58.5-149.4 20.0 15.2 12.9 120 120 A E S S- 0 0 106 1,-0.1 2,-1.4 -33,-0.1 3,-0.3 -0.369 76.7-116.4 -71.0 141.3 17.5 17.2 10.9 121 121 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.660 66.0 132.5 -80.2 92.9 14.7 19.0 12.9 122 122 A D S > S+ 0 0 122 -2,-1.4 3,-0.8 3,-0.0 -3,-0.0 0.770 82.1 22.1-101.3 -63.0 11.7 17.2 11.5 123 123 A E T 3 S+ 0 0 192 -3,-0.3 3,-0.4 1,-0.2 4,-0.2 0.731 123.4 59.0 -76.6 -24.2 9.7 16.3 14.6 124 124 A A T 3> S+ 0 0 10 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.253 70.1 111.5 -90.6 13.8 11.4 19.0 16.6 125 125 A E H <> S+ 0 0 76 -3,-0.8 4,-2.0 1,-0.2 3,-0.5 0.928 79.6 45.3 -54.0 -48.8 10.2 21.8 14.3 126 126 A Q H > S+ 0 0 102 -3,-0.4 4,-3.0 1,-0.3 -1,-0.2 0.874 107.4 59.7 -64.5 -36.3 7.9 23.3 16.9 127 127 A D H > S+ 0 0 99 -4,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.865 106.1 48.2 -57.8 -38.6 10.6 23.0 19.6 128 128 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.5 -1,-0.2 0.939 111.6 48.8 -67.8 -46.5 12.8 25.3 17.4 129 129 A I H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 111.2 50.8 -57.9 -45.0 10.0 27.8 16.9 130 130 A E H X S+ 0 0 70 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.843 105.7 55.1 -63.4 -35.0 9.3 27.8 20.7 131 131 A F H X S+ 0 0 12 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.929 108.1 49.8 -63.1 -45.1 13.0 28.4 21.5 132 132 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.923 109.6 51.2 -59.6 -43.4 12.9 31.5 19.3 133 133 A K H X S+ 0 0 64 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.896 107.9 52.4 -62.7 -38.2 9.7 32.7 21.0 134 134 A K H >< S+ 0 0 100 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.919 110.5 48.1 -62.6 -42.7 11.4 32.3 24.4 135 135 A I H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.894 106.9 55.1 -64.7 -41.4 14.4 34.4 23.2 136 136 A A H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.659 104.2 58.3 -66.8 -14.8 12.1 37.1 21.9 137 137 A N T << 0 0 133 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.316 360.0 360.0 -96.2 3.6 10.5 37.3 25.4 138 138 A I < 0 0 99 -3,-1.7 -2,-0.2 -4,-0.1 -1,-0.1 0.897 360.0 360.0 -86.4 360.0 13.8 38.1 27.2