==== 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 TRANSFER(FLAVOPROTEIN) 31-OCT-94 1RCF . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR B.BURKHART,B.RAMAKRISHNAN,H.YAN,R.REEDSTROM,J.MARKLEY,N.STRA . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.3 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 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 1 0 3 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 . 0 3 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 1 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 S 0 0 90 0, 0.0 47,-0.4 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 144.0 31.7 -0.7 70.6 2 2 A K + 0 0 135 45,-0.1 2,-0.2 46,-0.1 45,-0.1 0.221 360.0 113.5-111.1 8.8 28.5 -2.7 70.8 3 3 A K - 0 0 110 26,-0.1 46,-0.6 1,-0.0 2,-0.5 -0.579 69.0-123.6 -75.2 149.3 27.8 -2.5 67.0 4 4 A I E -ab 31 49A 1 26,-2.3 28,-2.8 -2,-0.2 2,-0.7 -0.798 14.3-147.8 -96.5 129.1 28.1 -5.8 65.3 5 5 A G E -ab 32 50A 0 44,-2.5 46,-2.5 -2,-0.5 2,-0.6 -0.889 12.2-163.5 -95.6 118.0 30.5 -6.1 62.4 6 6 A L E -ab 33 51A 0 26,-2.9 28,-2.5 -2,-0.7 2,-0.6 -0.889 5.3-171.3-104.7 112.4 29.2 -8.5 59.8 7 7 A F E +ab 34 52A 0 44,-2.8 46,-2.7 -2,-0.6 2,-0.3 -0.941 14.0 169.4-110.6 113.9 31.8 -9.7 57.4 8 8 A Y E -ab 35 53A 16 26,-2.3 28,-2.9 -2,-0.6 2,-0.3 -0.883 23.4-157.3-124.1 157.3 30.6 -11.7 54.4 9 9 A G + 0 0 0 44,-1.4 2,-0.3 -2,-0.3 54,-0.1 -0.941 16.2 179.8-126.9 154.0 31.9 -13.0 51.1 10 10 A T - 0 0 22 -2,-0.3 55,-0.1 1,-0.1 27,-0.1 -0.994 23.2-178.6-151.4 145.5 29.7 -14.0 48.1 11 11 A Q S S+ 0 0 109 -2,-0.3 -1,-0.1 53,-0.0 46,-0.0 0.794 95.5 20.2-110.0 -49.9 30.2 -15.4 44.6 12 12 A T S S- 0 0 87 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.186 110.6-106.9-107.3 15.0 26.7 -15.5 43.2 13 13 A G S > S+ 0 0 23 1,-0.0 4,-2.0 4,-0.0 5,-0.2 0.300 87.7 112.4 85.4 -7.4 25.1 -13.0 45.7 14 14 A K H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 77.4 51.2 -69.1 -38.2 23.1 -15.3 47.9 15 15 A T H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 109.4 52.5 -68.0 -32.5 25.2 -14.7 51.1 16 16 A E H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.933 107.0 51.4 -66.9 -44.1 24.9 -11.0 50.6 17 17 A S H X S+ 0 0 63 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.935 112.4 46.7 -59.5 -44.1 21.1 -11.2 50.3 18 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.901 107.2 57.4 -67.7 -35.7 21.0 -13.2 53.6 19 19 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.895 105.2 51.3 -56.0 -43.1 23.4 -10.7 55.2 20 20 A E H X S+ 0 0 86 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.885 108.1 52.6 -64.7 -36.7 20.9 -7.9 54.5 21 21 A I H X S+ 0 0 49 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.898 107.8 50.2 -65.1 -44.1 18.1 -10.0 56.1 22 22 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.950 109.3 52.2 -62.2 -41.9 20.2 -10.4 59.3 23 23 A R H < S+ 0 0 99 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.944 112.1 46.1 -57.3 -46.5 20.8 -6.7 59.4 24 24 A D H >< S+ 0 0 115 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.913 109.4 54.8 -63.0 -41.0 17.1 -6.0 59.1 25 25 A E H 3< S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.751 93.9 67.3 -67.8 -25.4 16.2 -8.6 61.7 26 26 A F T >< S- 0 0 0 -4,-1.6 3,-1.7 -3,-0.4 -1,-0.3 0.624 88.6-166.8 -69.7 -7.9 18.5 -7.1 64.3 27 27 A G T < - 0 0 49 -3,-1.6 -1,-0.2 -4,-0.3 4,-0.2 -0.335 63.6 -3.6 64.3-122.5 16.0 -4.2 64.3 28 28 A N T 3 S+ 0 0 167 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.506 110.2 98.9 -88.6 1.1 17.3 -1.1 66.1 29 29 A D S < S- 0 0 52 -3,-1.7 2,-0.3 -6,-0.1 -26,-0.1 -0.778 84.7-116.2 -81.6 119.2 20.5 -2.9 67.2 30 30 A V + 0 0 74 -2,-0.5 -26,-2.3 -28,-0.0 2,-0.4 -0.443 35.2 178.1 -72.6 128.3 23.1 -1.8 64.7 31 31 A V E -a 4 0A 11 -2,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.999 15.0-154.0-122.4 127.9 24.8 -4.3 62.3 32 32 A T E -a 5 0A 46 -28,-2.8 -26,-2.9 -2,-0.4 2,-0.3 -0.924 12.5-137.9-106.3 123.8 27.3 -2.9 59.8 33 33 A L E -a 6 0A 36 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.695 20.5-178.0 -85.3 135.4 27.8 -4.9 56.6 34 34 A H E -a 7 0A 42 -28,-2.5 -26,-2.3 -2,-0.3 2,-0.5 -0.959 18.3-148.9-134.0 116.5 31.3 -5.5 55.2 35 35 A D E > -a 8 0A 40 -2,-0.4 3,-2.1 -28,-0.2 4,-0.4 -0.714 16.7-141.6 -81.3 124.3 32.0 -7.4 51.9 36 36 A V T 3 S+ 0 0 6 -28,-2.9 3,-0.5 -2,-0.5 -27,-0.1 0.660 95.6 75.2 -67.7 -10.4 35.4 -9.0 52.4 37 37 A S T 3 S+ 0 0 46 -29,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.755 107.6 34.4 -67.9 -20.2 36.3 -8.3 48.7 38 38 A Q S < S+ 0 0 156 -3,-2.1 2,-0.2 2,-0.1 -1,-0.2 0.315 105.5 95.1-111.7 -1.0 36.7 -4.7 49.9 39 39 A A - 0 0 9 -3,-0.5 2,-0.3 -4,-0.4 -5,-0.0 -0.630 60.4-142.2 -97.9 160.3 38.1 -5.3 53.4 40 40 A E > - 0 0 111 -2,-0.2 3,-2.4 1,-0.1 4,-0.4 -0.817 32.5-115.3-107.4 148.8 41.5 -5.6 54.9 41 41 A V G > S+ 0 0 7 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.864 114.2 64.5 -55.4 -29.5 42.1 -8.2 57.6 42 42 A T G > S+ 0 0 78 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.639 81.9 76.6 -70.8 -12.4 42.7 -5.4 60.1 43 43 A D G X S+ 0 0 48 -3,-2.4 3,-1.4 1,-0.3 -1,-0.3 0.762 83.6 67.8 -67.0 -21.1 39.1 -4.1 59.7 44 44 A L G X S+ 0 0 0 -3,-1.6 3,-1.1 -4,-0.4 -1,-0.3 0.749 86.7 68.2 -67.5 -21.1 38.1 -7.1 61.9 45 45 A N G < S+ 0 0 76 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.663 83.2 75.4 -68.4 -23.3 39.9 -5.3 64.8 46 46 A D G < S+ 0 0 106 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.2 0.476 93.5 51.9 -71.5 -10.0 37.3 -2.6 64.9 47 47 A Y < - 0 0 28 -3,-1.1 3,-0.1 -4,-0.1 -43,-0.1 -0.955 52.2-161.3-128.9 155.0 34.6 -4.7 66.6 48 48 A Q S S+ 0 0 77 -47,-0.4 34,-2.5 -45,-0.4 2,-0.5 0.627 90.6 54.1 -99.1 -21.3 34.2 -6.9 69.6 49 49 A Y E S+bc 4 82A 23 -46,-0.6 -44,-2.5 32,-0.2 2,-0.4 -0.971 74.4 179.1-116.5 118.7 31.1 -8.6 68.2 50 50 A L E -bc 5 83A 0 32,-2.5 34,-2.6 -2,-0.5 2,-0.4 -0.924 22.1-161.2-126.2 146.4 31.5 -10.2 64.8 51 51 A I E -bc 6 84A 0 -46,-2.5 -44,-2.8 -2,-0.4 2,-0.5 -0.999 15.3-159.2-121.7 123.0 29.3 -12.1 62.5 52 52 A I E -bc 7 85A 0 32,-2.8 34,-2.6 -2,-0.4 2,-0.5 -0.926 8.1-171.9-108.6 122.4 31.2 -14.1 59.8 53 53 A G E +bc 8 86A 0 -46,-2.7 -44,-1.4 -2,-0.5 34,-0.2 -0.949 14.4 153.7-118.7 130.5 29.3 -15.2 56.7 54 54 A C - 0 0 0 32,-2.0 48,-0.3 -2,-0.5 2,-0.2 -0.931 29.9-142.9-154.5 132.7 30.6 -17.5 54.0 55 55 A P - 0 0 6 0, 0.0 8,-0.8 0, 0.0 2,-0.5 -0.503 28.0-118.4 -85.2 157.8 29.2 -19.9 51.4 56 56 A T E -F 62 0B 26 32,-1.3 2,-0.3 -2,-0.2 6,-0.2 -0.865 38.0-179.2 -98.9 130.7 31.0 -23.1 50.6 57 57 A W E > +F 61 0B 82 4,-2.3 4,-2.6 -2,-0.5 32,-0.0 -0.799 49.4 17.8-125.5 160.2 32.2 -23.5 47.0 58 58 A N T 4 S- 0 0 118 -2,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.783 127.7 -48.5 55.8 38.5 34.0 -26.0 44.7 59 59 A I T 4 S- 0 0 114 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.993 126.8 -15.6 63.9 73.4 33.4 -29.1 47.0 60 60 A G T 4 S+ 0 0 10 37,-0.3 2,-0.2 1,-0.3 -2,-0.2 0.660 103.5 125.8 85.8 12.0 34.4 -28.0 50.5 61 61 A E E < -F 57 0B 97 -4,-2.6 -4,-2.3 1,-0.1 -1,-0.3 -0.642 60.4-100.5-104.4 158.6 36.4 -24.8 49.7 62 62 A L E -F 56 0B 25 -2,-0.2 -6,-0.1 -6,-0.2 -1,-0.1 -0.482 42.9 -97.7 -69.7 148.9 36.2 -21.2 50.9 63 63 A Q > - 0 0 2 -8,-0.8 4,-2.1 -2,-0.2 3,-0.2 -0.334 46.9-108.9 -55.0 139.6 34.6 -18.5 48.8 64 64 A S H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.856 113.9 47.3 -51.7 -44.0 37.5 -16.7 47.1 65 65 A D H > S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 112.6 51.0 -69.0 -37.7 37.6 -13.4 48.9 66 66 A W H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.867 103.7 58.3 -65.7 -34.8 37.4 -15.2 52.2 67 67 A E H X S+ 0 0 103 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.920 104.0 54.2 -61.8 -36.5 40.3 -17.5 51.2 68 68 A G H < S+ 0 0 31 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.938 113.6 39.4 -62.6 -43.9 42.4 -14.4 50.7 69 69 A L H >< S+ 0 0 8 -4,-1.6 3,-1.9 1,-0.2 4,-0.5 0.872 106.8 65.2 -72.9 -36.7 41.7 -13.1 54.3 70 70 A Y H >< S+ 0 0 66 -4,-2.9 3,-1.5 1,-0.3 4,-0.3 0.906 95.2 59.8 -48.5 -44.2 42.0 -16.6 55.8 71 71 A S T 3< S+ 0 0 83 -4,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.652 109.4 42.6 -59.2 -20.1 45.6 -16.6 54.8 72 72 A E T X S+ 0 0 65 -3,-1.9 3,-2.3 -4,-0.3 -1,-0.3 0.335 78.4 104.5-111.7 4.5 46.2 -13.6 57.0 73 73 A L G X S+ 0 0 0 -3,-1.5 3,-1.5 -4,-0.5 -2,-0.1 0.746 70.5 68.6 -64.6 -16.2 44.2 -14.4 60.1 74 74 A D G 3 S+ 0 0 81 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.533 90.7 66.4 -77.6 -1.5 47.4 -15.2 62.0 75 75 A D G < S+ 0 0 121 -3,-2.3 2,-0.3 2,-0.0 -1,-0.3 0.419 96.6 65.3 -90.7 -6.1 48.0 -11.5 61.8 76 76 A V S < S- 0 0 3 -3,-1.5 2,-0.5 -4,-0.2 -34,-0.0 -0.881 72.0-140.5-120.1 151.1 45.0 -10.7 64.0 77 77 A D - 0 0 88 -2,-0.3 36,-0.2 2,-0.1 -3,-0.1 -0.969 12.9-175.1-106.3 117.4 44.3 -11.4 67.7 78 78 A F > + 0 0 0 34,-2.3 3,-1.9 -2,-0.5 37,-0.3 0.266 39.3 130.3 -96.5 7.7 40.6 -12.4 68.3 79 79 A N T 3 S+ 0 0 106 33,-0.5 35,-0.2 1,-0.3 3,-0.1 -0.427 73.3 25.3 -62.1 136.1 41.0 -12.6 72.1 80 80 A G T 3 S+ 0 0 67 33,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.495 101.4 113.4 90.0 2.6 38.3 -10.6 73.7 81 81 A K < - 0 0 25 -3,-1.9 34,-2.3 32,-0.3 2,-0.5 -0.856 55.9-148.0-110.3 144.8 35.9 -11.0 70.7 82 82 A L E -cd 49 115A 46 -34,-2.5 -32,-2.5 -2,-0.3 2,-0.4 -0.951 23.6-166.6-107.2 132.5 32.7 -12.9 70.5 83 83 A V E -cd 50 116A 0 32,-2.5 34,-2.2 -2,-0.5 2,-0.3 -0.983 12.2-172.2-131.9 129.1 32.1 -14.4 67.0 84 84 A A E -c 51 0A 0 -34,-2.6 -32,-2.8 -2,-0.4 2,-0.4 -0.837 13.0-150.2-114.8 154.4 29.1 -15.9 65.3 85 85 A Y E +c 52 0A 0 32,-0.4 56,-1.7 54,-0.4 2,-0.3 -0.980 14.9 176.5-127.8 146.1 28.9 -17.7 61.9 86 86 A F E -ce 53 141A 0 -34,-2.6 -32,-2.0 -2,-0.4 2,-0.3 -0.994 8.0-178.9-140.2 151.6 26.5 -18.1 59.1 87 87 A G E - e 0 142A 0 54,-2.5 56,-2.8 -2,-0.3 2,-0.3 -0.979 21.3-140.2-144.0 159.6 26.7 -19.8 55.8 88 88 A T E + e 0 143A 10 -2,-0.3 -32,-1.3 54,-0.2 2,-0.3 -0.876 38.4 142.7-110.3 146.5 24.8 -20.6 52.7 89 89 A G - 0 0 10 54,-1.2 57,-0.6 -2,-0.3 2,-0.5 -0.941 49.0-104.6-168.5 178.4 25.2 -24.0 51.0 90 90 A D > - 0 0 36 -2,-0.3 4,-1.7 -34,-0.1 54,-0.1 -0.949 21.8-172.7-125.6 106.7 23.3 -26.8 49.2 91 91 A Q T 4 S+ 0 0 7 -2,-0.5 37,-0.2 2,-0.2 7,-0.1 0.718 84.0 49.4 -74.1 -21.9 22.6 -29.9 51.2 92 92 A I T >4 S+ 0 0 124 2,-0.1 3,-0.6 1,-0.1 -1,-0.2 0.910 117.1 36.6 -86.5 -46.8 21.3 -32.0 48.3 93 93 A G T 34 S+ 0 0 45 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.784 131.2 29.6 -77.1 -24.2 24.1 -31.4 45.8 94 94 A Y T >< + 0 0 119 -4,-1.7 3,-1.7 1,-0.1 -1,-0.2 -0.418 68.5 152.6-131.7 57.6 26.9 -31.4 48.4 95 95 A A T < S+ 0 0 21 -3,-0.6 33,-2.7 1,-0.3 34,-2.5 0.694 74.6 50.7 -62.2 -23.5 25.8 -33.6 51.1 96 96 A D T 3 S+ 0 0 94 32,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.503 120.1 33.0 -93.2 -3.3 29.3 -34.6 52.2 97 97 A N S X S+ 0 0 41 -3,-1.7 3,-1.3 33,-0.1 2,-0.4 -0.109 77.3 158.8-142.6 35.0 30.6 -31.0 52.4 98 98 A F T 3 S- 0 0 2 31,-1.5 34,-0.5 -3,-0.3 -9,-0.1 -0.507 77.3 -11.8 -70.0 116.0 27.6 -29.1 53.6 99 99 A Q T >> S+ 0 0 0 -2,-0.4 4,-1.1 31,-0.1 3,-0.5 0.717 83.9 147.7 68.3 23.3 28.7 -25.8 55.2 100 100 A D H <> + 0 0 5 -3,-1.3 4,-2.4 1,-0.2 3,-0.3 0.865 59.8 67.3 -58.0 -38.6 32.3 -26.7 55.4 101 101 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.903 99.2 47.1 -52.2 -47.8 33.4 -23.1 54.9 102 102 A I H <> S+ 0 0 0 -3,-0.5 4,-2.4 -48,-0.3 -1,-0.2 0.848 110.1 54.4 -66.9 -30.2 32.2 -21.8 58.2 103 103 A G H X S+ 0 0 2 -4,-1.1 4,-2.0 -3,-0.3 -2,-0.2 0.931 109.7 47.2 -66.5 -40.4 33.7 -24.8 60.0 104 104 A I H X S+ 0 0 25 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.930 114.3 47.1 -64.7 -43.3 37.1 -24.0 58.5 105 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.932 111.6 49.6 -65.1 -45.1 36.8 -20.3 59.3 106 106 A E H X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.876 106.0 56.8 -65.7 -34.6 35.7 -20.9 62.9 107 107 A E H X S+ 0 0 126 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.946 112.6 41.8 -63.6 -39.0 38.5 -23.4 63.6 108 108 A K H X S+ 0 0 30 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.925 115.4 48.1 -70.9 -46.2 41.1 -20.7 62.6 109 109 A I H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.3 0.916 112.9 48.1 -65.1 -41.4 39.4 -17.8 64.4 110 110 A S H ><5S+ 0 0 41 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.878 106.0 58.2 -67.9 -33.6 39.0 -19.9 67.6 111 111 A Q H 3<5S+ 0 0 115 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.828 106.6 51.0 -55.8 -37.0 42.7 -20.9 67.3 112 112 A R T 3<5S- 0 0 77 -4,-1.4 -34,-2.3 -3,-0.3 -33,-0.5 0.230 133.0 -88.9 -91.5 13.5 43.4 -17.2 67.5 113 113 A G T < 5S+ 0 0 24 -3,-1.6 -33,-0.5 1,-0.3 -32,-0.3 0.319 76.3 142.7 102.1 -0.9 41.3 -16.6 70.5 114 114 A G < - 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