==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-FEB-00 1C7E . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR A.MCCARTHY,M.WALSH,T.HIGGINS,D.D'ARCY . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 0 0.0 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 . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 3 1 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 P 0 0 83 0, 0.0 30,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.9 39.6 -2.1 -2.4 2 3 A K E -a 31 0A 94 28,-0.2 48,-1.5 46,-0.2 49,-1.4 -0.932 360.0-173.4-113.0 123.6 37.5 -3.1 0.5 3 4 A A E -ab 32 51A 0 28,-2.6 30,-1.7 -2,-0.5 2,-0.5 -0.964 9.9-153.9-116.1 135.2 33.7 -2.6 0.3 4 5 A L E -ab 33 52A 0 47,-1.6 49,-2.3 -2,-0.4 2,-0.5 -0.965 7.7-167.2-106.0 113.2 31.3 -3.2 3.3 5 6 A I E +ab 34 53A 0 28,-2.3 30,-3.0 -2,-0.5 2,-0.4 -0.898 8.5 177.7-109.9 129.7 27.7 -4.1 2.5 6 7 A V E +ab 35 54A 0 47,-2.1 49,-3.4 -2,-0.5 2,-0.3 -0.987 6.4 179.7-127.8 132.3 25.2 -4.0 5.4 7 8 A Y E -ab 36 55A 18 28,-1.9 30,-3.2 -2,-0.4 2,-0.5 -0.933 27.5-153.4-138.7 148.9 21.4 -4.6 5.0 8 9 A G E + b 0 56A 0 47,-2.2 49,-0.8 -2,-0.3 2,-0.3 -0.990 35.0 159.8-114.9 120.2 18.3 -4.8 7.0 9 10 A S - 0 0 10 -2,-0.5 -2,-0.1 47,-0.2 46,-0.0 -0.975 23.7-177.6-145.0 128.8 15.9 -7.2 5.1 10 11 A T S S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.839 89.8 26.7-102.0 -32.8 12.8 -9.0 6.6 11 12 A T S S- 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.016 114.2-107.7-105.3 11.3 11.5 -11.1 3.6 12 13 A G S > S+ 0 0 14 1,-0.1 4,-2.8 3,-0.0 5,-0.2 0.463 85.8 117.1 72.1 13.8 14.9 -11.3 2.0 13 14 A N H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.969 82.6 39.6 -66.3 -53.9 14.5 -8.9 -1.0 14 15 A T H > S+ 0 0 0 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.907 115.5 54.5 -66.1 -29.8 17.1 -6.3 0.0 15 16 A E H > S+ 0 0 61 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.968 109.4 47.6 -68.4 -42.1 19.3 -9.2 1.2 16 17 A Y H X S+ 0 0 44 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.892 112.6 49.2 -64.6 -41.8 18.9 -10.6 -2.3 17 18 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.941 110.6 50.0 -65.0 -39.6 19.6 -7.2 -3.7 18 19 A A H X S+ 0 0 0 -4,-3.7 4,-4.1 1,-0.2 5,-0.3 0.957 108.0 53.4 -61.9 -47.0 22.8 -6.8 -1.5 19 20 A E H X S+ 0 0 109 -4,-3.2 4,-2.7 1,-0.3 -1,-0.2 0.941 109.4 47.6 -56.8 -43.2 24.0 -10.2 -2.5 20 21 A T H X S+ 0 0 10 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.3 0.870 114.0 47.1 -66.5 -36.6 23.8 -9.3 -6.2 21 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-0.3 0.974 110.8 53.5 -65.5 -49.3 25.5 -6.0 -5.5 22 23 A A H X S+ 0 0 14 -4,-4.1 4,-2.9 1,-0.3 -2,-0.2 0.892 109.9 48.2 -50.7 -46.2 28.2 -8.0 -3.5 23 24 A R H X S+ 0 0 132 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.3 0.881 109.4 51.1 -62.4 -43.1 28.8 -10.2 -6.4 24 25 A E H X S+ 0 0 34 -4,-1.7 4,-1.1 -3,-0.3 -2,-0.2 0.934 113.6 44.4 -62.0 -45.9 29.1 -7.4 -8.9 25 26 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.3 2,-0.2 3,-0.8 0.939 113.3 51.1 -64.6 -49.0 31.7 -5.6 -6.8 26 27 A A H ><5S+ 0 0 35 -4,-2.9 3,-1.2 -5,-0.3 -2,-0.2 0.908 105.3 56.4 -62.3 -28.7 33.6 -8.8 -6.1 27 28 A D H 3<5S+ 0 0 106 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.856 103.3 57.2 -67.5 -29.8 33.7 -9.6 -9.8 28 29 A A T <<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.1 -0.170 130.0 -89.7 -93.8 32.1 35.4 -6.3 -10.3 29 30 A G T < 5S+ 0 0 63 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.175 81.9 134.3 89.3 -15.6 38.3 -7.0 -7.9 30 31 A Y < - 0 0 25 -5,-1.3 2,-0.6 1,-0.1 -1,-0.2 -0.285 57.2-126.8 -65.3 154.8 36.9 -5.8 -4.6 31 32 A E E -a 2 0A 121 -30,-2.8 -28,-2.6 2,-0.0 2,-0.5 -0.874 35.3-159.0 -98.8 120.0 37.0 -7.6 -1.2 32 33 A V E -a 3 0A 39 -2,-0.6 2,-0.9 -30,-0.2 -28,-0.2 -0.880 18.2-171.5-121.7 110.3 33.4 -7.6 -0.2 33 34 A D E -a 4 0A 57 -30,-1.7 -28,-2.3 -2,-0.5 2,-0.4 -0.736 13.3-169.7 -89.0 100.7 32.2 -8.1 3.4 34 35 A S E +a 5 0A 47 -2,-0.9 2,-0.4 -30,-0.2 -28,-0.2 -0.754 9.2 176.8-104.9 123.1 28.4 -8.5 3.4 35 36 A R E -a 6 0A 75 -30,-3.0 -28,-1.9 -2,-0.4 2,-0.4 -0.983 31.5-125.3-139.5 136.8 26.6 -8.3 6.7 36 37 A D E > -a 7 0A 45 -2,-0.4 3,-2.3 -30,-0.2 -28,-0.2 -0.672 28.9-127.6 -74.9 144.5 23.1 -8.5 7.9 37 38 A A G > S+ 0 0 6 -30,-3.2 3,-1.3 -2,-0.4 -29,-0.1 0.662 105.3 67.8 -64.7 -29.1 22.4 -5.4 10.1 38 39 A A G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.756 102.2 46.4 -69.2 -24.6 21.1 -7.7 12.9 39 40 A S G < S+ 0 0 87 -3,-2.3 -1,-0.3 2,-0.0 2,-0.3 0.167 98.5 90.1 -98.7 12.8 24.7 -9.0 13.4 40 41 A V < - 0 0 15 -3,-1.3 2,-0.4 -5,-0.1 33,-0.0 -0.736 61.0-142.2-111.3 166.2 26.6 -5.7 13.4 41 42 A E - 0 0 159 -2,-0.3 4,-0.1 1,-0.1 -3,-0.0 -0.987 13.3-143.7-118.8 123.0 27.7 -3.1 16.0 42 43 A A S > S+ 0 0 17 -2,-0.4 3,-2.4 2,-0.1 4,-0.3 0.857 70.7 100.0 -51.9 -34.3 27.6 0.6 15.0 43 44 A G T 3 S- 0 0 53 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.287 111.1 -17.5 -68.5 108.9 30.8 1.8 17.0 44 45 A G T > S+ 0 0 35 35,-3.0 3,-1.5 -2,-0.2 -1,-0.3 0.577 89.8 144.7 68.2 20.9 33.5 2.0 14.3 45 46 A L T < S+ 0 0 14 -3,-2.4 36,-0.1 34,-0.3 -2,-0.1 0.843 71.1 47.5 -66.1 -38.4 31.7 -0.2 11.8 46 47 A F T > S+ 0 0 0 34,-2.4 3,-2.1 -4,-0.3 -1,-0.3 0.572 79.9 127.9 -76.9 -2.4 32.9 1.7 8.7 47 48 A E T < S+ 0 0 133 -3,-1.5 3,-0.1 33,-0.5 34,-0.0 -0.282 77.0 11.8 -57.5 123.5 36.6 1.7 9.9 48 49 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.232 95.2 111.8 91.6 4.5 38.8 0.3 7.1 49 50 A F < - 0 0 13 -3,-2.1 -1,-0.2 1,-0.1 -46,-0.2 -0.888 50.3-157.3 -99.8 153.0 36.5 0.2 4.1 50 51 A D S S+ 0 0 82 -48,-1.5 36,-0.5 -2,-0.4 2,-0.3 0.645 87.9 31.0 -91.8 -20.9 36.9 2.5 1.0 51 52 A L E -b 3 0A 0 -49,-1.4 -47,-1.6 34,-0.1 2,-0.5 -0.931 66.4-167.0-132.8 120.3 33.3 2.0 0.0 52 53 A V E -bc 4 87A 0 34,-2.3 36,-1.3 -2,-0.3 2,-0.6 -0.953 4.9-167.1-110.9 113.9 30.2 1.4 2.4 53 54 A L E -bc 5 88A 0 -49,-2.3 -47,-2.1 -2,-0.5 2,-0.5 -0.902 7.7-159.9-102.6 114.5 26.9 0.3 0.8 54 55 A L E -bc 6 89A 2 34,-2.5 36,-1.8 -2,-0.6 2,-0.4 -0.921 6.2-167.6 -99.8 143.3 23.9 0.5 3.1 55 56 A G E +bc 7 90A 0 -49,-3.4 -47,-2.2 -2,-0.5 2,-0.3 -0.893 14.7 155.8-133.9 118.6 20.8 -1.5 2.5 56 57 A C E -b 8 0A 2 34,-2.4 2,-0.2 -2,-0.4 48,-0.2 -0.992 26.7-143.7-143.6 153.4 17.3 -1.2 4.1 57 58 A S - 0 0 9 -49,-0.8 10,-1.7 -2,-0.3 2,-0.4 -0.535 25.4-119.7-110.6 161.3 13.6 -1.9 3.5 58 59 A T E +F 66 0B 26 34,-0.9 8,-0.2 8,-0.2 2,-0.2 -0.853 31.3 166.3-107.5 133.0 10.7 0.2 4.5 59 60 A W E +F 65 0B 109 6,-2.5 6,-0.8 -2,-0.4 43,-0.1 -0.438 43.1 64.8-126.1-159.8 7.8 -0.7 6.9 60 61 A G - 0 0 30 -2,-0.2 4,-0.1 4,-0.1 5,-0.1 -0.042 59.4-139.8 64.7-175.9 5.3 1.7 8.5 61 62 A D S S+ 0 0 100 2,-0.4 38,-0.4 36,-0.1 37,-0.2 0.399 83.2 36.6-151.4 -84.5 2.7 3.8 6.7 62 63 A D S S+ 0 0 124 36,-0.1 2,-0.3 35,-0.1 -2,-0.1 0.712 127.4 25.8 -67.5 -27.3 1.9 7.4 7.7 63 64 A S S S- 0 0 65 36,-0.0 -2,-0.4 35,-0.0 2,-0.3 -0.892 101.4 -81.9-131.1 169.2 5.6 8.0 8.5 64 65 A I - 0 0 60 -2,-0.3 2,-0.4 -4,-0.1 -4,-0.1 -0.534 47.6-175.8 -73.3 119.8 8.9 6.5 7.4 65 66 A E E -F 59 0B 102 -6,-0.8 -6,-2.5 -2,-0.3 2,-0.3 -0.997 12.2-144.8-120.1 136.4 9.6 3.3 9.3 66 67 A L E -F 58 0B 18 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.730 33.8 -86.0 -98.4 152.4 12.8 1.3 8.9 67 68 A Q >> - 0 0 4 -10,-1.7 3,-2.0 -2,-0.3 4,-1.0 -0.271 45.3-119.0 -48.8 119.8 13.3 -2.5 9.0 68 69 A D T 34 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.596 108.3 54.0 -39.0 -37.9 13.7 -3.4 12.6 69 70 A D T 34 S+ 0 0 60 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.699 108.9 50.8 -78.1 -25.1 17.3 -4.9 12.4 70 71 A F T <> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.2 3,-0.3 0.738 89.4 84.5 -79.6 -22.5 18.6 -1.7 10.8 71 72 A I H X S+ 0 0 55 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.745 89.4 45.1 -51.9 -51.6 17.1 0.7 13.5 72 73 A P H > S+ 0 0 82 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.893 114.0 52.5 -65.1 -35.6 19.9 0.5 16.2 73 74 A L H >4 S+ 0 0 8 -4,-0.4 3,-0.9 -3,-0.3 -2,-0.2 0.934 111.6 45.3 -62.5 -38.5 22.4 0.9 13.4 74 75 A F H >< S+ 0 0 37 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.897 108.7 56.4 -78.7 -33.4 20.5 4.1 12.2 75 76 A D H 3< S+ 0 0 99 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.585 116.6 36.3 -66.1 -16.2 20.2 5.4 15.7 76 77 A S T X< S+ 0 0 38 -3,-0.9 3,-2.2 -4,-0.6 -1,-0.3 0.081 74.5 124.0-127.0 21.6 24.0 5.2 16.1 77 78 A L G X + 0 0 0 -3,-1.4 3,-1.5 1,-0.3 5,-0.4 0.743 67.0 68.2 -53.5 -28.2 25.0 6.2 12.6 78 79 A E G 3 S+ 0 0 125 1,-0.3 3,-0.3 -4,-0.2 -1,-0.3 0.704 98.5 53.6 -61.6 -22.7 27.1 9.1 14.2 79 80 A E G < S+ 0 0 116 -3,-2.2 -35,-3.0 1,-0.2 -34,-0.3 0.233 88.7 78.9 -99.0 16.0 29.4 6.4 15.7 80 81 A T S < S- 0 0 0 -3,-1.5 -34,-2.4 -37,-0.2 -33,-0.5 0.682 101.9-107.2 -98.8 -23.6 30.3 4.5 12.5 81 82 A G + 0 0 21 -4,-0.3 -3,-0.1 -3,-0.3 -2,-0.1 0.821 64.6 146.7 101.1 33.9 32.9 6.6 10.8 82 83 A A > + 0 0 4 -5,-0.4 3,-2.1 2,-0.1 35,-0.3 0.537 31.8 114.4 -75.4 -23.5 30.8 8.0 8.0 83 84 A Q T 3 S- 0 0 151 1,-0.3 33,-0.3 -5,-0.1 32,-0.2 -0.482 99.0 -4.9 -47.3 124.0 32.6 11.3 8.0 84 85 A G T 3 S+ 0 0 58 31,-3.2 2,-0.3 1,-0.2 -1,-0.3 0.483 101.4 142.8 66.0 -4.0 34.4 11.5 4.6 85 86 A R < - 0 0 43 -3,-2.1 32,-2.2 1,-0.1 2,-0.7 -0.619 57.7-122.5 -80.5 120.7 33.3 7.9 3.8 86 87 A K E + d 0 117A 53 -36,-0.5 -34,-2.3 -2,-0.3 2,-0.3 -0.679 49.3 172.7 -57.5 121.0 32.4 7.1 0.2 87 88 A V E +cd 52 118A 0 30,-2.6 32,-3.9 -2,-0.7 33,-0.4 -0.876 24.6 178.6-137.3 153.9 28.8 5.8 0.7 88 89 A A E -c 53 0A 0 -36,-1.3 -34,-2.5 -2,-0.3 2,-0.2 -0.920 17.2-143.6-160.9 147.7 25.8 4.8 -1.3 89 90 A C E +c 54 0A 1 31,-0.4 34,-1.9 -2,-0.3 2,-0.3 -0.708 16.3 174.2-129.6 138.6 22.3 3.5 -0.2 90 91 A F E +ce 55 123A 1 -36,-1.8 -34,-2.4 32,-0.3 2,-0.3 -0.966 3.9 160.9-144.4 167.8 19.7 1.0 -1.5 91 92 A G E - e 0 124A 0 32,-1.7 34,-3.0 -2,-0.3 2,-0.4 -0.971 28.1-125.0 172.8 149.4 16.4 -0.6 -0.5 92 93 A C E + e 0 125A 5 -2,-0.3 -34,-0.9 32,-0.2 2,-0.2 -0.949 43.1 126.7-106.4 151.1 13.4 -2.4 -1.7 93 94 A G E - e 0 126A 17 32,-3.1 34,-3.0 -2,-0.4 2,-0.4 -0.872 53.0 -80.2-172.9-157.2 9.8 -1.4 -1.2 94 95 A E > - 0 0 97 32,-0.3 3,-1.5 -2,-0.2 7,-0.1 -0.989 21.5-141.9-132.5 122.6 6.4 -0.7 -2.9 95 96 A S T 3 S+ 0 0 65 -2,-0.4 5,-0.2 1,-0.2 31,-0.0 0.505 93.5 73.9 -69.2 2.9 5.5 2.6 -4.7 96 97 A S T 3 S+ 0 0 109 3,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.683 78.6 91.1 -89.0 -16.9 1.8 2.6 -3.4 97 98 A Y S < S- 0 0 124 -3,-1.5 3,-0.5 1,-0.1 -36,-0.1 -0.386 88.5-123.4 -76.5 150.4 3.1 3.6 -0.0 98 99 A E S S+ 0 0 127 1,-0.3 2,-1.0 -37,-0.2 -1,-0.1 0.963 109.7 47.7 -51.5 -47.6 3.3 7.4 0.6 99 100 A Y S > S- 0 0 84 -38,-0.4 3,-1.7 -36,-0.1 -1,-0.3 -0.671 83.0-161.8 -98.6 69.4 6.9 7.0 1.4 100 101 A F T 3 S- 0 0 59 -2,-1.0 -5,-0.1 -3,-0.5 26,-0.1 -0.411 81.0 -14.1 -59.5 124.0 8.3 4.8 -1.4 101 102 A C T >> S+ 0 0 1 1,-0.2 4,-1.2 24,-0.2 3,-0.9 0.778 87.5 165.2 35.4 45.9 11.7 3.4 -0.2 102 103 A G H <> + 0 0 0 -3,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.605 66.2 61.1 -43.7 -40.6 11.5 6.0 2.6 103 104 A A H 3> S+ 0 0 0 2,-0.2 4,-2.4 -4,-0.2 -1,-0.3 0.853 100.1 55.7 -64.7 -38.9 14.3 4.3 4.6 104 105 A V H <> S+ 0 0 1 -3,-0.9 4,-2.3 1,-0.2 5,-0.3 0.917 110.0 47.0 -58.7 -41.9 16.7 4.9 1.7 105 106 A D H X S+ 0 0 62 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.894 110.7 49.8 -67.0 -42.5 15.8 8.6 2.0 106 107 A A H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.858 113.9 46.5 -70.2 -24.9 16.2 8.7 5.8 107 108 A I H X S+ 0 0 3 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.950 112.6 46.4 -82.0 -45.4 19.6 7.0 5.6 108 109 A E H X S+ 0 0 11 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.923 114.6 52.0 -56.9 -40.6 21.0 9.1 2.8 109 110 A E H X S+ 0 0 108 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.929 110.8 44.5 -60.4 -51.0 19.7 12.1 4.7 110 111 A K H < S+ 0 0 43 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.937 115.1 50.9 -64.5 -41.6 21.4 11.1 8.0 111 112 A L H ><>S+ 0 0 0 -4,-3.3 5,-2.8 2,-0.2 3,-0.8 0.782 106.7 51.0 -56.4 -52.2 24.6 10.3 6.1 112 113 A K H ><5S+ 0 0 101 -4,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.973 110.2 52.3 -56.6 -48.0 24.8 13.6 4.2 113 114 A N T 3<5S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.568 106.2 53.4 -60.6 -11.0 24.4 15.4 7.5 114 115 A L T < 5S- 0 0 34 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.216 124.4-100.5-111.3 3.2 27.3 13.4 9.1 115 116 A G T < 5 + 0 0 37 -3,-2.3 -31,-3.2 1,-0.2 -3,-0.2 0.701 67.9 153.5 88.7 20.6 29.6 14.4 6.3 116 117 A A < - 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