==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 06-OCT-08 3ESY . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR B.HERGUEDAS,M.MARTINEZ-JULVEZ,J.A.HERMOSO,G.GONI,M.MEDINA . 672 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 4.9 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 1 0.1 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 . 33 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 0 0 0 4 0 0 0 0 4 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 0 12 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 . 3 9 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 . 4 4 0 0 4 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 2 A K 0 0 150 0, 0.0 28,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 -75.5 32.6 22.9 38.7 2 3 A K + 0 0 110 27,-0.3 46,-0.8 26,-0.3 45,-0.5 0.912 360.0 46.2 -73.6 -47.5 34.1 23.7 35.3 3 4 A I E -ab 30 48A 2 26,-2.1 28,-2.2 44,-0.1 2,-0.6 -0.857 65.9-156.4-104.3 131.2 35.1 20.2 34.2 4 5 A G E -ab 31 49A 0 44,-2.1 46,-2.7 -2,-0.5 2,-0.7 -0.905 7.1-156.5-101.1 122.6 32.9 17.1 34.4 5 6 A L E -ab 32 50A 0 26,-2.5 28,-2.6 -2,-0.6 2,-0.7 -0.875 9.0-169.2-102.2 113.4 34.7 13.8 34.4 6 7 A F E +ab 33 51A 0 44,-3.1 46,-3.0 -2,-0.7 2,-0.3 -0.895 15.8 166.5-107.6 110.3 32.5 10.9 33.2 7 8 A Y E -ab 34 52A 13 26,-2.3 28,-3.0 -2,-0.7 2,-0.3 -0.826 25.2-153.6-125.3 160.1 34.0 7.5 33.8 8 9 A G - 0 0 0 44,-1.1 2,-0.3 -2,-0.3 6,-0.1 -0.971 19.1-179.3-131.0 144.7 32.8 3.9 33.7 9 10 A T + 0 0 22 -2,-0.3 55,-0.1 5,-0.1 27,-0.1 -0.997 25.9 172.0-151.7 138.0 34.4 1.1 35.8 10 11 A Q S S+ 0 0 99 -2,-0.3 -1,-0.1 53,-0.0 46,-0.0 0.705 93.7 23.9-110.4 -43.5 34.0 -2.7 36.3 11 12 A T S S- 0 0 84 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.117 109.2-106.2-115.0 21.3 37.0 -3.5 38.5 12 13 A G S > S+ 0 0 35 1,-0.1 4,-1.5 3,-0.0 5,-0.1 0.307 89.5 110.1 86.2 -6.7 37.7 -0.1 40.0 13 14 A K H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.848 78.5 43.3 -77.1 -40.0 40.8 0.8 38.0 14 15 A T H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.797 112.4 57.5 -73.0 -30.1 39.4 3.6 35.7 15 16 A K H > S+ 0 0 83 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.887 106.3 47.3 -64.0 -41.4 37.7 5.0 38.8 16 17 A S H X S+ 0 0 47 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.833 110.7 50.7 -75.4 -34.2 41.0 5.3 40.7 17 18 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.864 107.5 56.2 -62.5 -38.7 42.8 6.9 37.8 18 19 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.921 105.6 50.3 -58.7 -44.4 39.8 9.4 37.7 19 20 A E H X S+ 0 0 67 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.857 110.5 49.7 -60.3 -37.7 40.4 10.3 41.3 20 21 A I H X S+ 0 0 56 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.863 111.1 48.2 -71.7 -38.0 44.1 10.9 40.6 21 22 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.872 111.7 52.4 -64.3 -38.8 43.2 13.1 37.6 22 23 A R H X S+ 0 0 41 -4,-2.3 4,-2.0 1,-0.2 8,-0.3 0.900 110.6 45.6 -64.7 -47.0 40.7 15.0 39.9 23 24 A D H < S+ 0 0 54 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.738 111.1 54.1 -69.6 -26.5 43.4 15.6 42.6 24 25 A E H < S+ 0 0 35 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.841 116.5 36.9 -74.6 -37.1 45.8 16.8 39.9 25 26 A F H < S- 0 0 8 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.819 126.0 -97.6 -76.0 -34.3 43.4 19.4 38.5 26 27 A G >X - 0 0 16 -4,-2.0 4,-1.7 -5,-0.2 3,-1.7 0.067 17.7-111.8 109.2 127.0 42.0 20.3 41.9 27 28 A N T 34 S+ 0 0 105 1,-0.3 -4,-0.1 2,-0.2 -1,-0.1 0.698 118.0 63.0 -58.8 -22.5 38.8 18.9 43.5 28 29 A D T 34 S+ 0 0 58 1,-0.1 -26,-0.3 -6,-0.1 -1,-0.3 0.677 108.4 40.5 -74.2 -19.7 37.4 22.5 43.1 29 30 A V T <4 S+ 0 0 19 -3,-1.7 -26,-2.1 -7,-0.2 2,-0.4 0.871 112.4 45.4 -99.4 -48.1 37.6 22.2 39.3 30 31 A V E < -a 3 0A 1 -4,-1.7 2,-0.5 -8,-0.3 -26,-0.2 -0.820 59.6-161.5-106.7 134.8 36.5 18.6 38.3 31 32 A T E -a 4 0A 49 -28,-2.2 -26,-2.5 -2,-0.4 2,-0.2 -0.984 21.5-127.0-115.8 132.9 33.6 16.7 39.5 32 33 A L E -a 5 0A 45 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.478 21.7-172.3 -73.8 137.7 33.4 12.9 39.1 33 34 A H E -a 6 0A 40 -28,-2.6 -26,-2.3 -2,-0.2 2,-0.7 -0.913 14.7-152.4-135.3 107.7 30.5 11.1 37.4 34 35 A D E > -a 7 0A 28 -2,-0.4 3,-2.2 -28,-0.2 4,-0.3 -0.729 16.9-143.6 -70.9 113.7 30.2 7.3 37.4 35 36 A V T 3 S+ 0 0 2 -28,-3.0 3,-0.3 -2,-0.7 -27,-0.1 0.591 94.2 73.9 -63.1 -12.7 28.1 6.7 34.2 36 37 A S T 3 S+ 0 0 62 -29,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.814 106.6 35.1 -65.5 -31.5 26.3 3.8 36.0 37 38 A Q S < S+ 0 0 166 -3,-2.2 2,-0.2 2,-0.1 -1,-0.2 0.338 106.5 106.2-101.2 7.4 24.4 6.4 38.0 38 39 A A - 0 0 19 -3,-0.3 2,-0.3 -4,-0.3 -3,-0.0 -0.577 57.5-146.3 -98.4 147.9 24.2 9.0 35.0 39 40 A E > - 0 0 129 -2,-0.2 3,-0.9 1,-0.1 4,-0.3 -0.700 29.7-124.3 -86.0 153.5 21.7 10.3 32.6 40 41 A V G > S+ 0 0 7 -2,-0.3 3,-1.2 1,-0.2 4,-0.3 0.798 111.4 63.9 -73.0 -24.9 23.1 11.1 29.1 41 42 A T G > S+ 0 0 71 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.559 83.2 78.1 -73.4 -10.6 21.7 14.7 29.6 42 43 A D G X S+ 0 0 32 -3,-0.9 3,-1.8 1,-0.2 -1,-0.3 0.804 81.5 66.4 -62.8 -32.6 24.1 15.1 32.5 43 44 A L G X S+ 0 0 0 -3,-1.2 3,-1.2 -4,-0.3 -1,-0.2 0.830 89.8 66.4 -55.7 -32.5 26.8 15.6 29.8 44 45 A N G < S+ 0 0 72 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.549 82.4 77.2 -60.6 -14.0 24.9 18.9 29.0 45 46 A D G < S+ 0 0 114 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.2 0.426 94.9 51.8 -81.4 0.3 25.9 20.3 32.4 46 47 A Y < - 0 0 27 -3,-1.2 3,-0.1 1,-0.1 -43,-0.1 -0.978 52.9-161.8-140.9 148.6 29.4 21.0 31.3 47 48 A Q S S+ 0 0 94 -45,-0.5 34,-2.0 -2,-0.3 2,-0.4 0.542 92.6 51.4 -98.7 -15.5 31.3 22.8 28.5 48 49 A Y E S-bc 3 81A 87 -46,-0.8 -44,-2.1 32,-0.2 2,-0.3 -0.995 75.6-179.8-128.7 124.9 34.5 21.0 29.4 49 50 A L E -bc 4 82A 0 32,-2.5 34,-2.6 -2,-0.4 2,-0.4 -0.941 22.0-157.8-134.7 142.7 34.3 17.2 29.6 50 51 A I E -bc 5 83A 0 -46,-2.7 -44,-3.1 -2,-0.3 2,-0.5 -0.993 15.1-154.7-122.1 122.0 36.7 14.3 30.4 51 52 A I E -bc 6 84A 0 32,-3.5 34,-2.9 -2,-0.4 2,-0.5 -0.856 10.7-173.2-100.4 123.9 35.6 10.8 29.1 52 53 A G E +bc 7 85A 0 -46,-3.0 -44,-1.1 -2,-0.5 34,-0.2 -0.966 16.5 149.1-122.1 120.6 37.0 7.8 31.0 53 54 A C - 0 0 0 32,-1.8 48,-0.4 -2,-0.5 2,-0.2 -0.927 29.2-150.8-157.1 128.1 36.5 4.2 29.8 54 55 A P - 0 0 9 0, 0.0 8,-1.2 0, 0.0 2,-0.4 -0.516 28.9-115.2 -86.9 160.2 38.2 0.8 29.8 55 56 A T E -F 61 0B 28 32,-0.7 2,-0.2 -2,-0.2 6,-0.2 -0.848 36.9-174.6 -97.0 133.5 37.8 -1.8 27.0 56 57 A W E > -F 60 0B 70 4,-2.9 4,-2.6 -2,-0.4 3,-0.1 -0.662 37.3 -19.8-121.2 176.7 36.1 -5.1 28.1 57 58 A N T 4 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 -0.399 127.7 7.7 -63.0 129.0 35.4 -8.5 26.6 58 59 A I T 4 S- 0 0 154 -2,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.349 124.8 -66.1-112.9 114.5 35.4 -8.5 23.6 59 60 A G T 4 S+ 0 0 17 1,-0.2 2,-0.2 -3,-0.1 -2,-0.2 0.761 94.8 139.1 50.7 31.7 36.8 -5.1 22.5 60 61 A K E < -F 56 0B 97 -4,-2.6 -4,-2.9 1,-0.1 40,-0.2 -0.655 61.9 -97.0-101.1 153.9 33.6 -3.5 23.9 61 62 A L E -F 55 0B 9 -2,-0.2 -6,-0.2 -6,-0.2 -1,-0.1 -0.404 57.7 -88.8 -51.4 139.4 32.9 -0.3 25.9 62 63 A Q > - 0 0 2 -8,-1.2 4,-2.7 1,-0.1 3,-0.4 -0.349 50.8-105.6 -47.7 142.9 32.6 -1.0 29.6 63 64 A S H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.774 116.1 52.8 -56.3 -38.3 28.9 -1.9 30.2 64 65 A D H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.941 115.7 41.5 -64.8 -42.6 27.8 1.4 31.9 65 66 A W H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.896 109.2 59.6 -67.9 -42.9 29.2 3.4 29.0 66 67 A E H X S+ 0 0 80 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.873 103.4 53.1 -47.6 -44.2 27.9 0.9 26.5 67 68 A G H < S+ 0 0 39 -4,-2.0 3,-0.4 1,-0.2 4,-0.4 0.922 113.3 41.9 -56.7 -49.1 24.4 1.7 27.9 68 69 A L H >< S+ 0 0 13 -4,-1.4 3,-0.7 1,-0.2 4,-0.3 0.677 95.3 80.6 -70.5 -25.3 24.9 5.4 27.3 69 70 A Y H >< S+ 0 0 69 -4,-1.9 3,-1.5 1,-0.3 4,-0.3 0.872 88.8 54.0 -54.5 -44.8 26.5 5.1 23.9 70 71 A S G >< S+ 0 0 82 -4,-0.7 3,-0.7 -3,-0.4 -1,-0.3 0.831 107.5 51.2 -57.7 -37.3 23.2 4.6 22.1 71 72 A E G X S+ 0 0 92 -3,-0.7 3,-2.0 -4,-0.4 -1,-0.3 0.425 80.4 94.9 -84.1 3.1 21.8 7.8 23.6 72 73 A L G X S+ 0 0 0 -3,-1.5 3,-1.4 -4,-0.3 -1,-0.2 0.795 75.3 65.7 -70.1 -22.3 24.8 10.0 22.6 73 74 A D G < S+ 0 0 81 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.617 93.2 63.8 -67.0 -12.5 22.8 11.0 19.4 74 75 A D G < S+ 0 0 122 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.358 96.0 66.7 -95.5 3.1 20.4 12.7 21.8 75 76 A V S < S- 0 0 2 -3,-1.4 2,-0.5 -4,-0.1 -34,-0.1 -0.966 73.1-139.3-129.7 143.2 23.0 15.2 23.1 76 77 A D - 0 0 88 -2,-0.4 36,-0.2 1,-0.1 -3,-0.1 -0.896 14.5-176.4-106.9 120.6 24.7 18.0 21.2 77 78 A F > + 0 0 0 34,-3.8 3,-1.8 -2,-0.5 37,-0.3 0.369 33.0 136.9-101.8 6.2 28.4 18.5 21.9 78 79 A N T 3 S+ 0 0 111 33,-0.5 35,-0.2 1,-0.3 3,-0.1 -0.245 74.2 16.2 -57.0 132.3 29.1 21.6 19.7 79 80 A G T 3 S+ 0 0 65 33,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.145 100.0 119.8 89.9 -21.1 31.3 24.2 21.5 80 81 A K < - 0 0 11 -3,-1.8 34,-2.8 32,-0.1 2,-0.4 -0.576 57.7-140.8 -82.8 141.0 32.4 21.7 24.1 81 82 A L E -cd 48 114A 33 -34,-2.0 -32,-2.5 -2,-0.3 2,-0.4 -0.864 25.4-167.4 -95.7 131.5 36.0 20.7 24.6 82 83 A V E -cd 49 115A 0 32,-2.9 34,-1.9 -2,-0.4 2,-0.3 -0.982 11.4-168.4-134.4 127.5 36.4 17.0 25.4 83 84 A A E -c 50 0A 0 -34,-2.6 -32,-3.5 -2,-0.4 2,-0.4 -0.727 10.3-151.3-109.8 155.5 39.3 14.9 26.7 84 85 A Y E +c 51 0A 0 32,-0.4 56,-1.2 54,-0.3 2,-0.3 -0.988 17.6 165.6-134.1 135.6 39.7 11.1 26.8 85 86 A F E +ce 52 140A 0 -34,-2.9 -32,-1.8 -2,-0.4 2,-0.3 -0.990 7.2 174.4-138.6 150.3 41.5 8.6 29.0 86 87 A G E - e 0 141A 0 54,-2.3 56,-2.6 -2,-0.3 2,-0.3 -0.984 26.6-129.4-144.3 167.7 41.3 4.9 29.5 87 88 A T E + e 0 142A 8 -2,-0.3 -32,-0.7 54,-0.2 2,-0.3 -0.811 38.9 157.3-110.6 156.4 42.8 2.0 31.2 88 89 A G - 0 0 12 54,-1.0 57,-0.6 -2,-0.3 2,-0.4 -0.937 44.1-117.3-167.3 166.7 43.7 -1.0 29.2 89 90 A D > - 0 0 41 -2,-0.3 4,-1.8 54,-0.1 7,-0.2 -0.897 25.1-178.6-126.9 95.7 45.9 -4.1 29.1 90 91 A Q T 4 S+ 0 0 3 -2,-0.4 37,-0.2 2,-0.2 7,-0.1 0.682 78.8 55.5 -71.0 -21.7 48.2 -3.8 26.1 91 92 A I T 4 S+ 0 0 108 2,-0.1 3,-0.5 1,-0.1 -1,-0.2 0.940 118.4 30.0 -77.3 -49.0 50.0 -7.2 26.7 92 93 A G T 4 S+ 0 0 50 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.706 132.3 35.1 -81.8 -21.0 46.8 -9.4 26.7 93 94 A Y >< + 0 0 139 -4,-1.8 3,-1.6 1,-0.1 -1,-0.2 -0.334 67.0 146.8-131.1 52.0 44.7 -7.2 24.3 94 95 A A T 3 S+ 0 0 18 -3,-0.5 34,-3.2 1,-0.3 33,-2.4 0.683 76.0 51.2 -64.3 -22.4 47.3 -5.9 21.9 95 96 A D T 3 S+ 0 0 94 32,-0.3 -1,-0.3 1,-0.2 -5,-0.1 0.535 121.0 31.4 -89.3 -11.9 44.8 -5.9 19.0 96 97 A N S X S+ 0 0 57 -3,-1.6 3,-1.5 -7,-0.2 2,-0.4 -0.082 78.8 159.5-134.4 31.6 42.1 -4.0 21.0 97 98 A F T 3 S- 0 0 2 31,-1.8 34,-0.4 -3,-0.3 33,-0.1 -0.493 78.9 -15.2 -72.9 119.0 44.2 -1.7 23.2 98 99 A Q T 3> S+ 0 0 1 -2,-0.4 4,-1.0 31,-0.1 3,-0.3 0.736 83.5 150.1 61.9 32.0 42.2 1.2 24.3 99 100 A D H <> + 0 0 3 -3,-1.5 4,-2.7 1,-0.2 3,-0.4 0.903 62.0 67.3 -56.5 -44.3 39.4 0.6 21.7 100 101 A A H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.855 99.4 44.8 -47.3 -53.7 36.8 2.1 24.1 101 102 A I H > S+ 0 0 0 -48,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.853 114.5 51.7 -65.4 -30.5 38.0 5.8 24.2 102 103 A G H X S+ 0 0 1 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.914 110.4 47.8 -65.3 -45.6 38.4 5.6 20.4 103 104 A I H X S+ 0 0 34 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.903 116.6 43.8 -57.4 -45.3 34.8 4.3 20.0 104 105 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.938 112.5 51.4 -68.1 -47.6 33.5 7.1 22.3 105 106 A E H X S+ 0 0 8 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.916 105.4 56.0 -57.0 -46.6 35.6 9.8 20.7 106 107 A E H X S+ 0 0 117 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.939 115.0 38.6 -48.4 -55.7 34.4 9.0 17.2 107 108 A K H X S+ 0 0 23 -4,-1.5 4,-1.5 2,-0.2 3,-0.2 0.929 117.9 46.7 -61.3 -55.1 30.7 9.4 18.2 108 109 A I H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.3 0.915 113.3 48.2 -60.4 -42.3 31.1 12.4 20.5 109 110 A S H ><5S+ 0 0 45 -4,-2.8 3,-0.7 -5,-0.3 -1,-0.2 0.797 110.2 53.8 -71.3 -22.8 33.3 14.4 18.1 110 111 A Q H 3<5S+ 0 0 125 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.782 106.6 51.8 -76.2 -32.0 30.8 13.5 15.4 111 112 A R T 3<5S- 0 0 70 -4,-1.5 -34,-3.8 -3,-0.3 -33,-0.5 0.094 138.9 -76.5 -93.7 15.7 28.0 15.0 17.6 112 113 A G T < 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