==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 25-MAY-01 1J9E . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR R.ARTALI,G.BOMBIERI,F.MENEGHETTI,G.GILARDI,S.J.SADEGHI, . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 76.9 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 . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 26.5 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 1 0 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 65 0, 0.0 30,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 139.3 21.7 0.4 111.9 2 3 A K E -a 31 0A 70 28,-0.2 48,-1.8 46,-0.1 49,-1.7 -0.967 360.0-170.7-115.8 126.2 21.2 -1.7 108.7 3 4 A A E -ab 32 51A 0 28,-3.3 30,-2.4 -2,-0.5 2,-0.4 -0.935 12.8-158.8-122.5 139.3 21.7 0.0 105.3 4 5 A L E -ab 33 52A 0 47,-2.1 49,-3.1 -2,-0.4 2,-0.5 -0.964 8.1-171.1-110.3 127.3 20.9 -1.1 101.8 5 6 A I E -ab 34 53A 0 28,-2.7 30,-3.2 -2,-0.4 2,-0.4 -0.995 4.7-178.5-116.9 124.7 22.7 0.6 98.9 6 7 A V E -ab 35 54A 0 47,-2.4 49,-2.8 -2,-0.5 2,-0.4 -0.998 9.0-175.6-125.4 127.4 21.5 -0.3 95.4 7 8 A Y E -ab 36 55A 20 28,-2.1 30,-3.1 -2,-0.4 2,-0.5 -0.947 23.7-155.7-126.9 149.8 23.2 1.3 92.4 8 9 A G E + b 0 56A 0 47,-2.0 49,-1.3 -2,-0.4 2,-0.3 -0.988 29.6 163.7-116.1 124.8 22.9 1.4 88.6 9 10 A S - 0 0 13 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.977 25.3-178.1-148.1 128.1 26.2 2.2 86.9 10 11 A T S S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.845 92.2 21.9 -93.2 -42.9 27.4 1.8 83.3 11 12 A T S S- 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.320 113.4-101.0-109.2 6.8 31.0 2.9 83.5 12 13 A G S > S+ 0 0 16 3,-0.0 4,-2.7 4,-0.0 5,-0.2 0.361 90.4 112.9 96.9 -3.2 31.6 2.3 87.2 13 14 A N H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.951 83.7 39.8 -73.4 -47.2 31.2 5.9 88.5 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.847 114.7 56.6 -67.5 -29.1 28.0 5.4 90.5 15 16 A E H > S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 107.0 47.8 -65.4 -46.1 29.4 2.1 91.5 16 17 A Y H X S+ 0 0 49 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.889 112.5 49.9 -55.0 -44.6 32.5 3.8 92.9 17 18 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.945 110.5 49.6 -61.1 -45.4 30.3 6.3 94.6 18 19 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.900 111.8 47.5 -58.4 -45.1 28.2 3.5 96.1 19 20 A E H X S+ 0 0 94 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.866 110.7 52.4 -69.0 -34.7 31.3 1.6 97.4 20 21 A T H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.933 112.8 44.6 -62.2 -46.0 32.7 4.8 98.9 21 22 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.925 111.6 54.0 -61.5 -45.8 29.4 5.4 100.7 22 23 A A H X S+ 0 0 15 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.900 108.5 48.7 -56.8 -43.6 29.3 1.8 101.8 23 24 A R H X S+ 0 0 146 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.893 110.6 51.0 -66.1 -39.0 32.8 2.0 103.3 24 25 A E H X S+ 0 0 31 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.938 113.5 43.8 -62.4 -45.9 31.9 5.1 105.2 25 26 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 3,-0.5 0.925 114.9 48.8 -67.6 -43.4 28.7 3.6 106.6 26 27 A A H ><5S+ 0 0 46 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.901 107.8 54.8 -63.2 -40.2 30.4 0.3 107.5 27 28 A D H 3<5S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.3 53.9 -64.8 -27.5 33.3 2.1 109.1 28 29 A A T 3<5S- 0 0 55 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.504 129.7 -96.9 -79.7 -7.7 30.8 3.9 111.3 29 30 A G T < 5S+ 0 0 58 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.370 75.7 141.4 107.2 0.9 29.4 0.6 112.4 30 31 A Y < - 0 0 34 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.416 55.9-121.4 -69.6 147.3 26.4 0.1 110.1 31 32 A E E -a 2 0A 129 -30,-3.0 -28,-3.3 -2,-0.1 2,-0.4 -0.830 41.0-163.3 -80.5 124.7 25.6 -3.2 108.7 32 33 A V E -a 3 0A 45 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.975 24.3-172.8-125.8 132.4 25.8 -2.5 104.9 33 34 A D E -a 4 0A 54 -30,-2.4 -28,-2.7 -2,-0.4 2,-0.5 -0.994 13.2-171.5-115.5 117.8 24.4 -4.5 101.9 34 35 A C E +a 5 0A 46 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.972 12.2 174.3-119.1 114.1 25.7 -2.9 98.6 35 36 A R E -a 6 0A 75 -30,-3.2 -28,-2.1 -2,-0.5 2,-0.3 -0.932 34.5-121.8-128.4 143.5 24.1 -4.3 95.5 36 37 A D E > -a 7 0A 46 -2,-0.4 3,-2.5 -30,-0.2 4,-0.4 -0.628 28.0-129.9 -71.7 131.3 24.1 -3.7 91.8 37 38 A A G > S+ 0 0 7 -30,-3.1 3,-1.0 -2,-0.3 -29,-0.1 0.766 106.3 69.5 -56.5 -26.8 20.5 -3.1 90.6 38 39 A A G 3 S+ 0 0 64 -31,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.682 102.7 45.3 -61.4 -20.6 21.2 -5.7 87.9 39 40 A S G < S+ 0 0 85 -3,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.500 97.9 86.7-103.5 -4.4 21.2 -8.3 90.6 40 41 A V < - 0 0 25 -3,-1.0 2,-0.4 -4,-0.4 33,-0.0 -0.592 60.8-139.2-106.6 162.6 18.2 -7.4 92.7 41 42 A E - 0 0 167 -2,-0.2 -2,-0.0 2,-0.1 32,-0.0 -0.945 15.2-142.3-114.2 138.0 14.5 -8.1 92.8 42 43 A A > + 0 0 13 -2,-0.4 3,-2.4 2,-0.1 4,-0.3 0.813 67.0 105.6 -70.9 -34.1 12.2 -5.3 93.7 43 44 A G T 3 S- 0 0 53 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.251 106.9 -20.8 -62.6 117.3 9.7 -7.2 95.8 44 45 A G T > S+ 0 0 23 35,-2.8 3,-1.6 -2,-0.2 -1,-0.3 0.669 91.3 146.3 67.1 15.3 10.2 -6.4 99.4 45 46 A L T < + 0 0 13 -3,-2.4 36,-0.1 1,-0.3 -2,-0.1 0.806 67.1 45.6 -59.4 -36.2 13.7 -5.3 98.7 46 47 A F T > S+ 0 0 0 34,-2.6 3,-1.9 -4,-0.3 -1,-0.3 0.484 83.4 121.4 -86.8 -5.7 13.8 -2.5 101.3 47 48 A E T < S+ 0 0 130 -3,-1.6 3,-0.1 33,-0.4 34,-0.0 -0.381 74.7 20.8 -64.8 135.7 12.3 -4.6 104.1 48 49 A G T 3 S+ 0 0 49 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.324 97.5 117.5 91.7 -2.3 14.4 -5.0 107.2 49 50 A F < - 0 0 18 -3,-1.9 -1,-0.3 1,-0.1 37,-0.2 -0.804 51.1-161.9-101.9 136.5 16.5 -1.9 106.4 50 51 A D S S+ 0 0 68 -48,-1.8 36,-0.5 -2,-0.4 2,-0.3 0.797 86.0 20.2 -72.4 -33.4 16.7 1.2 108.5 51 52 A L E -bc 3 86A 0 -49,-1.7 -47,-2.1 34,-0.1 2,-0.4 -0.999 64.9-164.3-142.0 137.9 18.1 3.2 105.6 52 53 A V E -bc 4 87A 0 34,-2.1 36,-1.7 -2,-0.3 2,-0.5 -0.994 4.2-167.1-127.6 126.0 18.1 2.7 101.9 53 54 A L E -bc 5 88A 0 -49,-3.1 -47,-2.4 -2,-0.4 2,-0.5 -0.966 5.4-162.4-114.3 121.1 20.4 4.6 99.5 54 55 A L E -bc 6 89A 0 34,-2.0 36,-2.5 -2,-0.5 2,-0.4 -0.912 5.9-170.3-108.9 125.0 19.6 4.5 95.8 55 56 A G E +bc 7 90A 0 -49,-2.8 -47,-2.0 -2,-0.5 2,-0.3 -0.945 12.5 159.9-115.8 138.0 22.3 5.4 93.2 56 57 A C E -b 8 0A 0 34,-2.1 -47,-0.2 -2,-0.4 48,-0.1 -0.927 29.2-135.1-159.1 127.3 21.8 5.9 89.5 57 58 A S - 0 0 9 -49,-1.3 10,-1.6 -2,-0.3 2,-0.4 -0.383 26.8-121.3 -75.5 158.3 23.6 7.7 86.7 58 59 A T E +F 66 0B 25 34,-1.6 2,-0.2 8,-0.2 8,-0.2 -0.905 35.0 166.7-106.2 133.2 21.8 9.8 84.2 59 60 A W E +F 65 0B 114 6,-2.9 6,-2.7 -2,-0.4 43,-0.1 -0.697 37.3 79.1-126.0 176.9 21.9 9.1 80.5 60 61 A G - 0 0 21 -2,-0.2 2,-2.2 4,-0.2 4,-0.2 -0.106 54.8-153.0 115.7 -36.8 20.0 10.3 77.5 61 62 A D S S+ 0 0 102 1,-0.3 37,-0.4 38,-0.1 38,-0.4 -0.428 93.5 36.9 65.4 -77.2 21.3 13.7 76.5 62 63 A D S S+ 0 0 133 -2,-2.2 2,-0.3 36,-0.1 -1,-0.3 0.558 133.4 17.0 -85.4 -6.5 18.2 15.1 74.9 63 64 A S S S- 0 0 50 -3,-0.1 2,-0.5 36,-0.1 36,-0.1 -0.952 93.8 -90.4-150.5 163.3 15.9 13.4 77.4 64 65 A I + 0 0 72 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.752 44.1 176.0 -80.3 121.5 16.4 11.8 80.9 65 66 A E E -F 59 0B 107 -6,-2.7 -6,-2.9 -2,-0.5 38,-0.2 -0.998 24.8-133.2-124.1 130.2 17.2 8.1 80.7 66 67 A L E -F 58 0B 21 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.2 -0.540 44.5 -79.8 -74.3 152.5 18.0 6.2 83.8 67 68 A Q >> - 0 0 3 -10,-1.6 3,-1.4 -59,-0.2 4,-0.9 -0.199 49.7-117.7 -49.6 135.9 21.0 3.9 83.8 68 69 A D T 34 S+ 0 0 120 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.799 109.2 51.9 -61.5 -35.7 19.9 0.8 82.1 69 70 A D T 34 S+ 0 0 55 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.759 109.1 53.8 -69.8 -22.9 20.3 -1.7 84.9 70 71 A F T <> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.683 85.5 83.8 -85.5 -18.8 18.3 0.5 87.2 71 72 A I H X S+ 0 0 57 -4,-0.9 4,-2.9 -3,-0.4 5,-0.2 0.900 87.6 50.7 -58.3 -47.3 15.2 0.9 85.0 72 73 A P H > S+ 0 0 82 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.912 113.3 46.6 -57.5 -41.1 13.5 -2.4 86.1 73 74 A L H >4 S+ 0 0 6 -4,-0.4 3,-1.2 1,-0.2 -2,-0.2 0.946 112.4 50.4 -63.1 -46.2 13.9 -1.5 89.8 74 75 A F H >< S+ 0 0 41 -4,-2.7 3,-1.8 1,-0.3 4,-0.2 0.929 108.3 51.8 -56.8 -47.2 12.6 2.0 89.2 75 76 A D H 3< S+ 0 0 111 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.604 116.9 41.5 -67.3 -11.2 9.6 0.7 87.3 76 77 A S T X< S+ 0 0 35 -3,-1.2 3,-2.2 -4,-0.6 -1,-0.3 0.081 74.0 119.0-117.8 18.9 8.9 -1.6 90.3 77 78 A L G X + 0 0 1 -3,-1.8 3,-1.5 1,-0.3 5,-0.4 0.774 66.6 68.9 -63.1 -21.7 9.6 0.8 93.1 78 79 A E G 3 S+ 0 0 133 1,-0.3 3,-0.3 -4,-0.2 -1,-0.3 0.713 98.2 53.2 -65.6 -18.9 6.0 0.5 94.3 79 80 A E G < S+ 0 0 114 -3,-2.2 -35,-2.8 1,-0.2 -1,-0.3 0.479 88.9 80.7 -92.2 -2.5 6.9 -3.1 95.3 80 81 A T S < S- 0 0 0 -3,-1.5 -34,-2.6 -37,-0.2 -33,-0.4 0.571 101.5-108.1 -87.2 -15.9 9.9 -2.4 97.5 81 82 A G + 0 0 28 -3,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.856 63.4 150.5 85.1 43.2 8.4 -1.3 100.8 82 83 A A > + 0 0 4 -5,-0.4 3,-2.3 2,-0.1 35,-0.2 0.653 29.5 110.9 -81.9 -18.4 9.3 2.4 100.5 83 84 A Q T 3 S- 0 0 146 1,-0.3 33,-0.3 -5,-0.1 32,-0.2 -0.431 98.6 -1.8 -66.8 132.0 6.5 3.8 102.5 84 85 A G T 3 S+ 0 0 44 31,-3.2 -1,-0.3 1,-0.3 2,-0.3 0.428 101.7 139.9 73.7 0.5 7.9 5.2 105.8 85 86 A R < - 0 0 49 -3,-2.3 32,-2.9 1,-0.1 2,-0.5 -0.575 56.8-124.6 -78.9 135.6 11.4 4.1 104.7 86 87 A K E +cd 51 117A 48 -36,-0.5 -34,-2.1 -2,-0.3 2,-0.3 -0.736 47.9 162.6 -79.5 123.4 14.3 6.4 105.4 87 88 A V E -cd 52 118A 0 30,-2.6 32,-2.5 -2,-0.5 33,-0.5 -0.924 26.4-176.8-138.3 158.9 16.0 6.9 102.1 88 89 A A E -c 53 0A 0 -36,-1.7 -34,-2.0 -2,-0.3 2,-0.3 -0.967 18.0-138.4-153.4 161.9 18.4 9.1 100.2 89 90 A C E +c 54 0A 0 31,-0.4 34,-2.4 -2,-0.3 2,-0.3 -0.867 17.5 174.5-125.2 151.5 19.6 9.2 96.6 90 91 A F E +ce 55 123A 1 -36,-2.5 -34,-2.1 -2,-0.3 2,-0.3 -0.954 7.4 154.8-146.5 166.2 22.8 9.7 94.7 91 92 A G E - e 0 124A 0 32,-1.9 34,-2.8 -2,-0.3 2,-0.3 -0.917 34.0-109.3 176.2 159.0 24.1 9.6 91.2 92 93 A C E + e 0 125A 8 -2,-0.3 -34,-1.6 32,-0.2 2,-0.2 -0.742 43.6 136.3-102.0 151.7 26.7 10.7 88.7 93 94 A G E - e 0 126A 17 32,-2.3 34,-2.2 -2,-0.3 2,-0.3 -0.866 46.5-105.3-162.8-161.5 26.1 13.0 85.8 94 95 A D > - 0 0 68 -2,-0.2 3,-2.0 32,-0.2 7,-0.1 -0.954 15.6-142.3-151.3 123.8 27.6 16.0 83.9 95 96 A S T 3 S+ 0 0 66 -2,-0.3 5,-0.2 1,-0.3 31,-0.0 0.495 92.7 76.8 -73.3 -3.6 26.2 19.5 84.2 96 97 A S T 3 S+ 0 0 96 3,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.714 81.9 85.1 -76.1 -14.1 26.9 20.3 80.6 97 98 A Y S < S- 0 0 113 -3,-2.0 3,-0.4 1,-0.1 -35,-0.1 -0.455 90.2-119.5 -82.5 157.1 23.8 18.2 79.7 98 99 A E S S+ 0 0 149 -37,-0.4 2,-0.7 1,-0.3 -1,-0.1 0.864 108.6 44.3 -65.7 -36.1 20.4 19.8 79.9 99 100 A Y S > S- 0 0 101 -38,-0.4 3,-1.6 -36,-0.1 2,-0.3 -0.697 83.2-161.8-114.6 77.4 19.0 17.4 82.6 100 101 A F T 3 S- 0 0 60 -2,-0.7 -5,-0.1 -3,-0.4 -7,-0.1 -0.439 75.0 -16.6 -65.1 120.7 21.9 17.2 85.1 101 102 A C T >> S+ 0 0 1 -2,-0.3 4,-1.5 -7,-0.1 3,-1.1 0.829 83.7 161.6 50.1 36.9 21.5 14.2 87.3 102 103 A G H <> + 0 0 0 -3,-1.6 4,-2.5 1,-0.3 5,-0.2 0.800 66.2 64.6 -55.4 -29.4 17.9 13.9 86.2 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.888 99.0 52.1 -63.0 -37.8 17.8 10.3 87.4 104 105 A V H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.940 110.5 49.1 -63.0 -43.7 18.4 11.5 90.9 105 106 A D H X S+ 0 0 67 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.949 112.1 48.2 -55.5 -50.3 15.4 13.9 90.5 106 107 A A H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.896 113.1 45.8 -63.0 -44.8 13.2 11.1 89.1 107 108 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.934 112.0 52.0 -68.3 -42.2 14.0 8.6 91.8 108 109 A E H X S+ 0 0 17 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.932 111.3 46.6 -58.1 -46.9 13.6 11.1 94.6 109 110 A E H X S+ 0 0 101 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.903 111.6 50.7 -63.1 -41.9 10.2 12.2 93.4 110 111 A K H X S+ 0 0 65 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.931 113.1 46.5 -61.5 -46.1 9.0 8.6 92.9 111 112 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 3,-0.4 0.913 111.0 51.4 -59.5 -43.7 10.1 7.8 96.5 112 113 A K H ><5S+ 0 0 108 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.926 109.9 49.8 -60.9 -42.9 8.5 10.9 98.0 113 114 A N H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.713 105.3 57.9 -73.6 -18.0 5.2 10.0 96.3 114 115 A L T 3<5S- 0 0 45 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.429 124.6-101.9 -82.7 -2.6 5.5 6.4 97.7 115 116 A G T < 5 + 0 0 29 -3,-1.4 -31,-3.2 -4,-0.3 -3,-0.2 0.699 69.9 151.6 92.1 15.4 5.6 7.8 101.2 116 117 A A < - 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