==== 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 21-OCT-04 1XT6 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR R.ARTALI,N.MARCHINI,F.MENEGHETTI,D.CAVAZZINI,A.CASSETTA,C.SA . 147 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) . 109 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 2 A A 0 0 66 0, 0.0 30,-3.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 136.4 22.8 -1.4 41.5 2 3 A K E -a 31 0A 100 28,-0.2 48,-2.6 46,-0.1 49,-1.8 -0.968 360.0-171.7-117.9 120.3 22.5 -3.3 38.2 3 4 A A E -ab 32 51A 1 28,-3.2 30,-2.7 -2,-0.6 2,-0.4 -0.872 12.3-157.9-112.1 150.7 22.9 -1.1 35.0 4 5 A L E -ab 33 52A 0 47,-2.4 49,-2.8 -2,-0.3 2,-0.5 -0.977 8.0-166.5-126.3 127.0 22.3 -2.2 31.3 5 6 A I E -ab 34 53A 0 28,-2.2 30,-2.9 -2,-0.4 2,-0.4 -0.997 5.1-173.4-110.1 119.1 24.2 -0.1 28.6 6 7 A V E -ab 35 54A 0 47,-2.4 49,-3.1 -2,-0.5 2,-0.3 -0.988 9.6-176.3-116.7 127.3 23.0 -0.6 25.0 7 8 A Y E -ab 36 55A 20 28,-1.7 30,-3.5 -2,-0.4 2,-0.4 -0.899 24.4-161.0-126.2 147.6 24.8 1.0 22.2 8 9 A G E + b 0 56A 0 47,-1.5 49,-1.2 -2,-0.3 2,-0.4 -0.995 26.7 167.4-121.7 125.2 24.7 1.5 18.3 9 10 A S - 0 0 14 -2,-0.4 -2,-0.0 47,-0.1 47,-0.0 -0.983 23.3-176.8-144.3 126.0 28.0 2.5 16.9 10 11 A T S S+ 0 0 78 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.864 92.2 18.8 -86.3 -41.7 29.2 2.6 13.2 11 12 A T S S- 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.201 114.8 -98.8-116.8 8.9 32.8 3.6 13.4 12 13 A G S > S+ 0 0 20 4,-0.0 4,-2.3 3,-0.0 5,-0.1 0.386 90.2 116.5 87.3 -6.3 33.3 2.7 17.1 13 14 A N H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.978 83.7 36.8 -63.6 -52.3 32.9 6.3 18.7 14 15 A T H > S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.845 115.0 56.8 -68.8 -27.8 29.8 5.5 20.7 15 16 A E H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.919 107.7 47.1 -69.5 -44.3 31.0 2.0 21.5 16 17 A Y H X S+ 0 0 43 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.950 113.2 50.7 -57.7 -38.3 34.2 3.6 23.0 17 18 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.938 109.6 48.1 -58.0 -45.8 31.8 6.0 24.9 18 19 A A H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.850 112.8 50.9 -68.6 -42.3 29.6 3.1 26.2 19 20 A E H X S+ 0 0 107 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.908 111.6 48.0 -61.0 -46.7 33.1 1.2 27.3 20 21 A T H X S+ 0 0 13 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.954 113.6 44.3 -62.7 -39.0 34.2 4.3 29.1 21 22 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.937 111.9 54.7 -70.2 -39.1 31.0 4.8 30.9 22 23 A A H X S+ 0 0 18 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.901 107.8 50.0 -63.5 -41.7 30.8 1.0 31.7 23 24 A R H X S+ 0 0 152 -4,-2.8 4,-3.6 2,-0.2 -1,-0.2 0.900 111.5 49.6 -61.6 -35.3 34.3 1.2 33.3 24 25 A E H X S+ 0 0 37 -4,-2.1 4,-1.4 1,-0.3 -2,-0.2 0.972 113.6 41.8 -70.4 -51.4 33.2 4.2 35.4 25 26 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 -1,-0.3 0.890 115.5 52.1 -62.3 -41.3 30.0 2.7 36.7 26 27 A A H ><5S+ 0 0 49 -4,-2.3 3,-1.9 -5,-0.2 -2,-0.2 0.884 109.1 53.8 -60.2 -44.1 31.9 -0.8 37.3 27 28 A D H 3<5S+ 0 0 97 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 103.4 52.4 -62.4 -25.3 34.6 1.1 39.2 28 29 A A T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.463 128.3 -99.1 -85.6 -5.8 32.0 2.7 41.5 29 30 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.407 74.9 139.9 101.8 12.7 30.7 -0.9 42.3 30 31 A Y < - 0 0 38 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.419 56.9-120.4 -76.5 149.3 27.6 -1.2 39.9 31 32 A E E -a 2 0A 121 -30,-3.7 -28,-3.2 -2,-0.2 2,-0.5 -0.849 37.6-162.3 -80.4 137.3 27.0 -4.4 38.2 32 33 A V E -a 3 0A 46 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.960 23.1-173.6-133.9 130.1 27.1 -3.5 34.5 33 34 A D E -a 4 0A 64 -30,-2.7 -28,-2.2 -2,-0.5 2,-0.5 -0.966 17.2-171.0-117.3 117.4 25.8 -5.5 31.4 34 35 A C E +a 5 0A 52 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.950 8.5 177.6-117.3 124.8 27.0 -3.6 28.2 35 36 A R E -a 6 0A 75 -30,-2.9 -28,-1.7 -2,-0.5 2,-0.3 -0.978 34.4-120.4-136.7 142.4 25.6 -4.8 24.8 36 37 A D E > -a 7 0A 47 -2,-0.3 3,-1.1 -30,-0.2 4,-0.3 -0.539 30.1-131.8 -73.1 134.3 25.8 -3.8 21.1 37 38 A A G > S+ 0 0 4 -30,-3.5 3,-1.5 1,-0.3 -29,-0.1 0.792 105.0 69.9 -67.2 -24.1 22.2 -3.0 20.1 38 39 A A G 3 S+ 0 0 58 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.922 99.4 47.4 -64.3 -27.1 22.8 -5.2 17.1 39 40 A S G < S+ 0 0 88 -3,-1.1 -1,-0.3 2,-0.0 2,-0.2 0.376 100.5 98.7 -82.3 1.6 22.9 -8.4 19.4 40 41 A V < - 0 0 17 -3,-1.5 2,-0.4 -4,-0.3 33,-0.0 -0.602 56.6-148.5-112.1 169.5 19.8 -7.5 21.3 41 42 A E - 0 0 163 -2,-0.2 4,-0.3 2,-0.1 -2,-0.0 -0.978 16.0-143.9-126.3 122.3 15.9 -8.2 21.6 42 43 A A > + 0 0 5 -2,-0.4 3,-1.2 2,-0.1 2,-0.4 0.741 61.7 119.2 -53.1 -30.4 13.7 -5.6 22.8 43 44 A G T 3 S- 0 0 55 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.300 104.5 -33.2 -46.0 105.5 11.5 -8.0 24.7 44 45 A G T > S+ 0 0 20 35,-2.8 3,-3.4 -2,-0.4 -1,-0.3 0.528 91.9 156.3 52.4 12.2 11.4 -7.1 28.4 45 46 A L T < + 0 0 14 -3,-1.2 36,-0.1 -4,-0.3 -2,-0.1 0.658 69.1 44.4 -33.9 -43.4 15.2 -6.0 27.7 46 47 A F T > S+ 0 0 0 34,-1.9 3,-1.4 -4,-0.3 -1,-0.3 0.477 80.8 125.4 -88.1 -1.7 15.2 -3.6 30.6 47 48 A E T < S+ 0 0 133 -3,-3.4 3,-0.1 33,-0.3 34,-0.0 -0.369 79.0 17.0 -60.8 137.2 13.5 -5.9 33.3 48 49 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.361 95.8 123.7 84.1 -0.5 15.6 -6.2 36.5 49 50 A F < - 0 0 29 -3,-1.4 -1,-0.2 1,-0.2 37,-0.2 -0.805 47.1-163.8 -97.2 134.7 17.8 -3.1 35.7 50 51 A D S S+ 0 0 92 -48,-2.6 36,-0.7 -2,-0.4 2,-0.4 0.859 84.6 18.6 -78.9 -30.7 18.1 -0.3 38.2 51 52 A L E -bc 3 86A 1 -49,-1.8 -47,-2.4 34,-0.1 2,-0.5 -0.977 67.1-164.6-140.8 135.4 19.6 2.1 35.5 52 53 A V E -bc 4 87A 0 34,-2.5 36,-1.7 -2,-0.4 2,-0.5 -0.989 5.2-168.3-125.3 134.0 19.5 1.7 31.7 53 54 A L E -bc 5 88A 0 -49,-2.8 -47,-2.4 -2,-0.5 2,-0.5 -0.964 3.6-163.7-125.4 130.8 21.8 3.8 29.5 54 55 A L E -bc 6 89A 0 34,-2.0 36,-2.8 -2,-0.5 2,-0.4 -0.913 3.6-169.5-122.7 125.1 21.2 4.0 25.7 55 56 A G E +bc 7 90A 0 -49,-3.1 -47,-1.5 -2,-0.5 2,-0.3 -0.960 14.3 158.4-120.6 135.6 23.9 5.2 23.4 56 57 A C E -b 8 0A 0 34,-2.4 2,-0.1 -2,-0.4 -47,-0.1 -0.977 28.1-139.0-157.3 121.3 23.3 6.0 19.7 57 58 A S - 0 0 9 -49,-1.2 10,-1.4 -2,-0.3 2,-0.4 -0.580 28.1-112.9 -80.3 172.1 25.2 8.1 17.1 58 59 A T E +F 66 0B 27 34,-1.2 2,-0.2 8,-0.2 8,-0.2 -0.780 34.6 171.8-110.4 137.7 23.5 10.3 14.6 59 60 A W E +F 65 0B 107 6,-2.7 6,-2.4 -2,-0.4 2,-0.1 -0.735 29.4 78.8-124.7-177.6 23.4 9.9 10.8 60 61 A G - 0 0 28 -2,-0.2 4,-0.1 4,-0.2 -2,-0.0 -0.387 56.4-126.4 103.5 161.4 21.6 11.5 7.9 61 62 A D S S+ 0 0 125 -2,-0.1 37,-0.3 36,-0.1 38,-0.3 0.537 99.9 2.9-115.7 -78.1 22.0 14.8 6.0 62 63 A D S S+ 0 0 118 36,-0.1 2,-0.3 35,-0.1 -2,-0.1 0.423 132.3 52.1 -89.4 9.8 18.8 16.6 6.0 63 64 A S S S- 0 0 57 -4,-0.0 2,-0.7 36,-0.0 36,-0.1 -0.958 86.5-113.0-130.9 158.1 16.9 14.1 8.2 64 65 A I + 0 0 69 -2,-0.3 2,-0.5 -4,-0.1 -4,-0.2 -0.715 38.8 177.2 -91.1 117.5 17.8 12.5 11.6 65 66 A E E -F 59 0B 99 -6,-2.4 -6,-2.7 -2,-0.7 2,-0.2 -0.980 24.1-126.6-115.8 148.4 18.5 8.9 11.2 66 67 A L E -F 58 0B 20 -2,-0.5 5,-0.2 -8,-0.2 -8,-0.2 -0.552 43.8 -77.2 -84.6 161.8 19.6 6.7 14.0 67 68 A Q >> - 0 0 1 -10,-1.4 3,-1.5 -2,-0.2 4,-1.0 -0.153 51.2-116.8 -63.7 144.6 22.8 4.5 13.9 68 69 A D T >4 S+ 0 0 121 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.876 110.4 51.2 -65.9 -33.9 21.7 1.5 11.7 69 70 A D T 3> S+ 0 0 49 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.754 108.9 52.7 -65.6 -27.8 22.1 -1.2 14.5 70 71 A F H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.1 -1,-0.2 0.735 86.0 83.4 -85.8 -23.7 20.0 0.7 16.9 71 72 A I H S+ 0 0 82 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.937 114.3 45.8 -50.9 -51.5 15.3 -2.2 15.3 73 74 A L H < S+ 0 0 9 -4,-0.5 3,-0.3 1,-0.2 -2,-0.2 0.927 110.9 53.2 -61.2 -43.8 15.6 -1.7 19.1 74 75 A F H >< S+ 0 0 38 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.909 104.4 54.8 -54.9 -40.4 14.4 1.9 18.9 75 76 A D H 3< S+ 0 0 100 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.894 113.6 43.5 -64.4 -29.4 11.2 0.9 17.0 76 77 A S T >< S+ 0 0 27 -4,-1.2 3,-1.5 -3,-0.3 -1,-0.3 -0.037 74.0 117.7-106.5 25.8 10.4 -1.6 19.8 77 78 A L G X + 0 0 0 -3,-1.4 3,-1.5 1,-0.3 5,-0.4 0.742 66.8 63.9 -66.7 -24.2 11.1 0.5 22.7 78 79 A E G 3 S+ 0 0 108 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.760 97.9 61.2 -66.0 -20.1 7.6 0.4 24.0 79 80 A E G < S+ 0 0 118 -3,-1.5 -35,-2.8 1,-0.2 -1,-0.3 0.301 90.5 76.5 -86.9 11.3 8.2 -3.4 24.4 80 81 A T S < S- 0 0 0 -3,-1.5 -34,-1.9 -37,-0.2 -33,-0.3 0.691 101.1-104.6-100.8 -22.9 11.1 -2.9 26.9 81 82 A G + 0 0 24 -3,-0.4 4,-0.2 -4,-0.2 -3,-0.1 0.753 65.3 144.7 104.0 32.8 9.9 -2.1 30.3 82 83 A A > + 0 0 4 -5,-0.4 3,-1.2 -4,-0.1 35,-0.3 0.668 29.4 111.8 -81.4 -6.6 10.7 1.5 30.3 83 84 A Q T 3 S- 0 0 145 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.433 99.5 -3.0 -69.4 132.7 7.9 2.8 32.3 84 85 A G T 3 S+ 0 0 44 31,-1.6 -1,-0.3 1,-0.3 32,-0.1 0.146 99.8 140.2 75.4 -12.0 9.2 4.0 35.6 85 86 A R < - 0 0 45 -3,-1.2 32,-3.4 -4,-0.2 2,-0.5 -0.299 58.1-125.0 -61.0 140.6 12.8 2.9 34.5 86 87 A K E +cd 51 117A 57 -36,-0.7 -34,-2.5 -37,-0.2 2,-0.3 -0.679 50.2 162.7 -92.4 125.6 15.6 5.3 35.5 87 88 A V E -cd 52 118A 0 30,-2.8 32,-1.5 -2,-0.5 33,-0.5 -0.964 25.3-176.2-144.8 152.8 17.3 5.9 32.1 88 89 A A E -c 53 0A 0 -36,-1.7 -34,-2.0 -2,-0.3 2,-0.3 -0.964 16.1-140.0-149.7 166.6 19.7 8.3 30.4 89 90 A C E +c 54 0A 0 31,-0.4 34,-2.5 -2,-0.3 2,-0.3 -0.860 17.2 174.3-134.2 157.1 20.9 8.6 26.9 90 91 A F E +ce 55 123A 0 -36,-2.8 -34,-2.4 -2,-0.3 2,-0.3 -0.971 5.1 160.2-152.1 169.0 24.2 9.4 25.1 91 92 A G E - e 0 124A 0 32,-1.7 34,-2.2 -2,-0.3 2,-0.3 -0.931 34.1-115.0 176.3 158.8 25.7 9.5 21.6 92 93 A C E + e 0 125A 6 -2,-0.3 -34,-1.2 32,-0.2 2,-0.2 -0.802 48.1 134.3-107.2 145.5 28.5 10.9 19.3 93 94 A G E - e 0 126A 22 32,-2.7 34,-2.1 -2,-0.3 2,-0.4 -0.768 50.2 -99.5-157.0-147.0 27.6 13.3 16.4 94 95 A D > - 0 0 57 32,-0.3 3,-1.4 -2,-0.2 7,-0.1 -0.925 11.9-134.2-158.2 119.5 29.1 16.6 15.2 95 96 A S T 3 S+ 0 0 65 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.701 98.9 69.4 -52.2 -19.0 28.0 20.2 15.9 96 97 A S T 3 S+ 0 0 95 3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.325 83.0 86.2 -80.7 4.9 28.5 21.3 12.2 97 98 A Y S < S- 0 0 143 -3,-1.4 3,-0.4 1,-0.1 -36,-0.1 -0.825 92.9-111.6 -97.0 158.5 25.4 19.1 11.0 98 99 A E S S+ 0 0 136 -2,-0.4 2,-0.8 -37,-0.3 -1,-0.1 0.957 111.4 37.1 -61.3 -38.9 22.0 20.7 11.2 99 100 A Y S > S- 0 0 104 -38,-0.3 3,-1.8 -36,-0.1 -1,-0.3 -0.665 84.4-151.7-119.7 107.6 20.8 18.4 14.0 100 101 A F T 3 S- 0 0 59 -2,-0.8 -5,-0.1 -3,-0.4 26,-0.1 -0.304 80.2 -16.6 -74.3 120.2 23.8 17.8 16.4 101 102 A C T >> S+ 0 0 1 1,-0.2 4,-1.3 24,-0.1 3,-1.2 0.812 84.8 164.8 48.9 46.6 23.3 14.3 18.1 102 103 A G H <> + 0 0 0 -3,-1.8 4,-3.0 1,-0.3 5,-0.3 0.777 66.1 66.3 -71.8 -19.0 19.6 14.4 17.0 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.894 96.3 53.4 -60.8 -39.6 19.4 10.7 17.7 104 105 A V H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.951 110.6 49.0 -57.2 -43.3 19.9 11.3 21.5 105 106 A D H X S+ 0 0 65 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.958 112.6 47.2 -65.9 -39.6 17.0 13.8 21.2 106 107 A A H X S+ 0 0 30 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.865 114.6 44.8 -73.3 -34.3 14.7 11.2 19.3 107 108 A I H X S+ 0 0 1 -4,-2.6 4,-3.2 -5,-0.3 -1,-0.2 0.927 113.7 51.0 -74.0 -42.4 15.5 8.3 21.8 108 109 A E H X S+ 0 0 14 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.962 111.6 49.2 -58.2 -54.4 15.0 10.8 24.9 109 110 A E H X S+ 0 0 101 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 113.8 45.9 -50.5 -43.3 11.5 11.9 23.4 110 111 A K H X S+ 0 0 58 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.909 113.4 48.3 -74.1 -38.8 10.5 8.4 22.9 111 112 A L H <>S+ 0 0 0 -4,-3.2 5,-2.4 1,-0.2 -1,-0.3 0.865 110.4 49.8 -66.1 -35.6 11.6 7.4 26.3 112 113 A K H ><5S+ 0 0 99 -4,-2.7 3,-2.7 1,-0.2 -1,-0.2 0.933 105.8 57.1 -65.1 -43.1 9.9 10.3 28.1 113 114 A N H 3<5S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.907 103.1 58.3 -58.7 -39.2 6.6 9.5 26.3 114 115 A L T 3<5S- 0 0 40 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.496 123.0-103.9 -70.2 0.3 6.9 6.0 27.8 115 116 A G T < 5 + 0 0 29 -3,-2.7 -31,-1.6 1,-0.2 -3,-0.2 0.646 66.1 160.6 86.7 3.1 7.0 7.2 31.5 116 117 A A < - 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