==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 27-MAY-97 1AKR . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR A.MCCARTHY,M.WALSH,T.HIGGINS . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 25.9 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 P 0 0 85 0, 0.0 30,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.1 22.0 26.2 1.5 2 3 A K E -a 31 0A 66 28,-0.2 48,-1.9 46,-0.1 49,-1.5 -0.954 360.0-166.0-113.3 132.2 19.5 24.0 3.4 3 4 A A E -ab 32 51A 0 28,-2.8 30,-2.4 -2,-0.5 2,-0.4 -0.912 8.6-155.3-119.0 142.3 16.6 25.5 5.3 4 5 A L E -ab 33 52A 0 47,-2.4 49,-2.8 -2,-0.4 2,-0.5 -0.972 8.7-170.3-113.6 129.8 14.3 23.9 7.9 5 6 A I E -ab 34 53A 0 28,-2.8 30,-3.1 -2,-0.4 2,-0.4 -0.995 5.6-179.5-119.5 123.4 10.8 25.4 8.4 6 7 A V E -ab 35 54A 0 47,-2.2 49,-2.4 -2,-0.5 2,-0.3 -0.995 8.0-179.2-122.7 128.6 8.8 24.0 11.4 7 8 A Y E -ab 36 55A 19 28,-1.9 30,-3.2 -2,-0.4 2,-0.5 -0.954 25.4-154.1-131.8 152.3 5.3 25.4 12.1 8 9 A G E + b 0 56A 0 47,-1.9 49,-0.9 -2,-0.3 2,-0.4 -0.995 31.3 165.2-116.1 119.9 2.5 24.9 14.6 9 10 A S + 0 0 16 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.995 23.4 178.2-143.2 134.6 -0.9 25.7 13.0 10 11 A T S S+ 0 0 84 -2,-0.4 -1,-0.1 58,-0.0 0, 0.0 0.800 90.2 24.0-102.5 -42.9 -4.5 25.0 14.1 11 12 A T S S- 0 0 97 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.385 113.4-103.4-104.8 2.1 -6.7 26.6 11.4 12 13 A G S > S+ 0 0 14 4,-0.0 4,-2.2 3,-0.0 5,-0.2 0.389 89.4 112.9 96.5 -3.0 -4.1 26.5 8.7 13 14 A N H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.936 83.6 40.6 -70.1 -46.8 -3.0 30.2 8.6 14 15 A T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 114.1 55.6 -69.6 -30.6 0.6 29.6 9.9 15 16 A E H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.936 108.1 47.4 -65.5 -42.9 0.8 26.5 7.7 16 17 A Y H X S+ 0 0 44 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.930 112.4 50.7 -61.1 -44.0 -0.1 28.6 4.6 17 18 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 109.7 49.7 -59.7 -45.9 2.5 31.2 5.7 18 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.912 110.8 49.8 -58.6 -47.3 5.1 28.4 6.1 19 20 A E H X S+ 0 0 101 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.855 109.7 51.1 -62.9 -35.4 4.4 27.1 2.6 20 21 A T H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.912 112.5 45.3 -67.7 -42.5 4.6 30.5 1.1 21 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.938 109.6 56.3 -66.6 -43.7 8.0 31.1 2.7 22 23 A A H X S+ 0 0 17 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.893 106.8 50.2 -54.8 -44.0 9.1 27.6 1.6 23 24 A R H X S+ 0 0 153 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.909 108.7 51.4 -60.7 -47.0 8.4 28.5 -2.0 24 25 A E H < S+ 0 0 35 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.884 111.9 46.1 -58.2 -42.6 10.3 31.7 -1.9 25 26 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.8 0.920 113.1 49.5 -66.9 -43.5 13.4 30.0 -0.5 26 27 A A H ><5S+ 0 0 49 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.876 107.9 53.0 -62.7 -39.0 13.2 27.1 -3.0 27 28 A D T 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.624 107.1 54.5 -72.7 -11.6 12.8 29.6 -6.0 28 29 A A T < 5S- 0 0 43 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.333 129.4 -97.2-100.6 -0.7 16.0 31.3 -4.7 29 30 A G T < 5S+ 0 0 59 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.496 76.4 136.0 97.8 3.5 17.8 27.9 -4.8 30 31 A Y < - 0 0 23 -5,-2.4 2,-0.6 -6,-0.1 -1,-0.3 -0.536 55.7-125.8 -82.4 154.2 17.7 26.6 -1.2 31 32 A E E -a 2 0A 131 -30,-2.8 -28,-2.8 -2,-0.2 2,-0.4 -0.868 37.9-162.0 -96.1 126.5 16.9 23.0 -0.4 32 33 A V E -a 3 0A 44 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.937 21.6-166.4-116.4 135.5 13.9 23.4 2.0 33 34 A D E -a 4 0A 59 -30,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.979 14.2-167.8-118.7 111.3 12.5 20.8 4.5 34 35 A S E +a 5 0A 49 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.912 12.3 176.2-107.6 119.8 9.0 22.0 5.7 35 36 A R E -a 6 0A 80 -30,-3.1 -28,-1.9 -2,-0.5 2,-0.3 -0.977 33.0-123.5-132.8 142.5 7.5 20.2 8.7 36 37 A D E > -a 7 0A 48 -2,-0.4 3,-1.8 -30,-0.2 4,-0.3 -0.597 27.1-131.0 -73.8 134.3 4.5 20.3 11.0 37 38 A A G > S+ 0 0 7 -30,-3.2 3,-1.3 -2,-0.3 -29,-0.2 0.806 103.7 70.6 -58.1 -29.4 5.7 20.6 14.7 38 39 A A G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.756 102.7 43.7 -61.3 -22.4 3.2 17.8 15.5 39 40 A S G < S+ 0 0 86 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.359 95.8 90.7-106.4 5.2 5.5 15.3 13.7 40 41 A V < - 0 0 19 -3,-1.3 2,-0.4 -4,-0.3 33,-0.0 -0.700 60.5-141.2-106.4 160.7 9.1 16.3 14.8 41 42 A E - 0 0 165 -2,-0.3 32,-0.0 2,-0.1 -2,-0.0 -0.941 16.0-141.6-111.0 132.8 11.3 15.2 17.6 42 43 A A > + 0 0 11 -2,-0.4 3,-2.2 2,-0.1 4,-0.3 0.824 68.0 105.5 -67.8 -36.4 13.4 18.0 19.2 43 44 A G T 3 S- 0 0 50 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.292 107.8 -18.5 -52.9 111.0 16.6 16.2 19.8 44 45 A G T > S+ 0 0 34 35,-3.0 3,-1.6 -2,-0.2 -1,-0.3 0.682 90.4 147.6 64.0 21.7 19.2 17.4 17.2 45 46 A L T < S+ 0 0 14 -3,-2.2 36,-0.1 1,-0.3 -2,-0.1 0.849 70.7 44.0 -56.7 -39.1 16.3 18.7 15.0 46 47 A F T > S+ 0 0 0 34,-2.3 3,-1.9 -4,-0.3 -1,-0.3 0.485 81.3 129.4 -87.1 -4.3 18.4 21.6 13.7 47 48 A E T < S+ 0 0 128 -3,-1.6 3,-0.1 33,-0.3 34,-0.0 -0.288 77.6 11.2 -55.4 131.4 21.6 19.6 13.0 48 49 A G T 3 S+ 0 0 47 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.377 96.2 122.7 85.0 -0.9 22.9 20.1 9.5 49 50 A F < - 0 0 11 -3,-1.9 -1,-0.2 1,-0.1 37,-0.2 -0.764 47.6-160.6 -99.4 138.2 20.6 23.1 8.6 50 51 A D S S+ 0 0 82 -48,-1.9 36,-0.5 -2,-0.4 2,-0.3 0.799 83.1 20.9 -81.4 -28.5 22.0 26.4 7.5 51 52 A L E -b 3 0A 0 -49,-1.5 -47,-2.4 34,-0.1 2,-0.4 -0.997 65.1-165.2-142.5 137.2 18.9 28.3 8.3 52 53 A V E -bc 4 87A 0 34,-2.0 36,-1.7 -2,-0.3 2,-0.5 -0.990 2.8-169.2-126.3 129.3 15.9 27.5 10.6 53 54 A L E -bc 5 88A 0 -49,-2.8 -47,-2.2 -2,-0.4 2,-0.5 -0.978 6.9-166.4-118.9 124.8 12.5 29.3 10.5 54 55 A L E +bc 6 89A 0 34,-2.1 36,-2.0 -2,-0.5 2,-0.4 -0.961 8.6 179.7-117.9 133.8 10.1 28.6 13.3 55 56 A G E +bc 7 90A 0 -49,-2.4 -47,-1.9 -2,-0.5 2,-0.3 -0.978 7.9 155.6-135.5 148.6 6.5 29.6 13.2 56 57 A C E -b 8 0A 0 34,-1.7 -47,-0.2 -2,-0.4 48,-0.1 -0.975 33.1-117.6-166.3 149.9 3.4 29.4 15.3 57 58 A S - 0 0 11 -49,-0.9 10,-1.1 -2,-0.3 2,-0.4 -0.415 31.1-119.8 -87.2 165.0 0.0 31.0 16.1 58 59 A T B -F 66 0B 26 34,-1.2 2,-0.4 8,-0.2 8,-0.2 -0.892 22.3-172.3-110.9 135.3 -1.0 32.6 19.4 59 60 A W - 0 0 112 6,-2.8 5,-0.0 -2,-0.4 34,-0.0 -0.955 32.2-115.6-128.4 107.4 -3.9 31.4 21.6 60 61 A A + 0 0 78 -2,-0.4 2,-0.3 2,-0.1 4,-0.1 -0.096 54.5 145.5 -44.7 129.6 -4.8 33.6 24.6 61 62 A D - 0 0 105 2,-0.1 4,-0.2 1,-0.0 -2,-0.0 -0.969 56.0-118.2-164.3 159.2 -4.2 31.6 27.8 62 63 A D S S+ 0 0 169 -2,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.634 108.1 18.3 -79.3 -21.9 -3.1 32.1 31.5 63 64 A S S S+ 0 0 103 1,-0.2 2,-0.4 0, 0.0 -2,-0.1 0.713 132.6 8.7-114.2 -62.4 0.0 29.9 31.3 64 65 A I - 0 0 52 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.959 47.2-173.3-138.8 121.2 1.2 29.3 27.7 65 66 A E + 0 0 48 -2,-0.4 -6,-2.8 -4,-0.2 38,-0.2 0.269 49.7 116.8 -89.6 5.3 -0.2 31.0 24.6 66 67 A L B S-F 58 0B 3 -8,-0.2 -8,-0.2 1,-0.1 5,-0.1 -0.508 79.5 -91.9 -78.9 152.3 1.7 28.9 22.0 67 68 A Q >> - 0 0 3 -10,-1.1 3,-1.5 -2,-0.2 4,-1.1 -0.369 42.3-115.8 -60.2 136.2 -0.2 26.7 19.6 68 69 A D T 34 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.783 110.1 53.7 -48.7 -43.4 -0.5 23.2 21.1 69 70 A D T 34 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.772 109.3 51.2 -67.2 -25.4 1.5 21.2 18.6 70 71 A F T <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 3,-0.5 0.739 88.2 82.9 -85.0 -21.2 4.5 23.6 19.1 71 72 A I H X S+ 0 0 31 -4,-1.1 4,-3.0 -3,-0.4 5,-0.2 0.891 88.1 50.5 -50.8 -51.2 4.6 23.4 22.9 72 73 A P H > S+ 0 0 83 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.881 113.8 46.4 -56.8 -39.8 6.6 20.2 23.2 73 74 A L H >4 S+ 0 0 7 -3,-0.5 3,-0.9 -4,-0.4 -2,-0.2 0.944 112.6 49.5 -67.2 -47.6 9.2 21.6 20.8 74 75 A F H >< S+ 0 0 31 -4,-2.5 3,-1.3 1,-0.3 4,-0.2 0.907 108.6 53.4 -57.6 -43.9 9.3 24.9 22.6 75 76 A D H 3< S+ 0 0 94 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.720 117.3 37.4 -66.2 -22.5 9.7 23.1 25.9 76 77 A S T X< S+ 0 0 34 -4,-0.9 3,-2.2 -3,-0.9 -1,-0.3 -0.010 75.1 124.0-115.7 24.7 12.7 21.1 24.5 77 78 A L G X + 0 0 0 -3,-1.3 3,-1.5 1,-0.3 5,-0.4 0.796 65.3 69.1 -58.5 -27.2 14.3 23.9 22.4 78 79 A E G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.648 97.4 51.7 -67.6 -12.9 17.5 23.5 24.3 79 80 A E G < S+ 0 0 109 -3,-2.2 -35,-3.0 1,-0.1 -1,-0.2 0.355 88.4 83.2-102.0 3.7 18.1 20.0 22.7 80 81 A T S < S- 0 0 0 -3,-1.5 -34,-2.3 -37,-0.2 -33,-0.3 0.682 103.9-106.0 -84.1 -19.4 17.7 21.2 19.1 81 82 A G + 0 0 23 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.769 66.2 148.7 96.4 36.0 21.1 22.5 18.3 82 83 A A > + 0 0 5 -5,-0.4 3,-2.2 2,-0.1 35,-0.3 0.687 29.1 111.4 -78.0 -19.2 20.2 26.2 18.4 83 84 A Q T 3 S- 0 0 169 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.377 98.3 -3.4 -62.0 126.5 23.5 27.6 19.7 84 85 A G T 3 S+ 0 0 61 31,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.600 100.4 140.1 68.5 12.7 25.1 29.6 16.8 85 86 A R < - 0 0 42 -3,-2.2 32,-3.3 30,-0.1 2,-0.5 -0.695 56.9-124.0 -88.9 141.0 22.2 28.7 14.5 86 87 A K E + d 0 117A 61 -36,-0.5 -34,-2.0 -2,-0.3 2,-0.3 -0.741 47.8 163.9 -80.7 118.6 20.9 31.3 12.1 87 88 A V E -cd 52 118A 0 30,-2.6 32,-2.3 -2,-0.5 33,-0.5 -0.941 24.6-174.7-138.0 161.2 17.1 31.5 12.8 88 89 A A E -c 53 0A 0 -36,-1.7 -34,-2.1 -2,-0.3 2,-0.3 -0.969 15.6-143.3-152.2 152.0 14.0 33.7 12.2 89 90 A C E +c 54 0A 0 31,-0.4 34,-2.0 -2,-0.3 2,-0.3 -0.845 16.2 175.0-121.9 156.6 10.5 33.4 13.5 90 91 A F E +ce 55 123A 0 -36,-2.0 -34,-1.7 -2,-0.3 2,-0.3 -0.945 5.8 164.5-149.5 166.4 7.0 34.1 12.1 91 92 A G E - e 0 124A 0 32,-1.6 34,-2.6 -2,-0.3 2,-0.3 -0.941 29.9-118.1-178.9 158.2 3.4 33.6 13.2 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-1.2 32,-0.2 2,-0.2 -0.800 42.5 138.4-106.7 149.7 -0.2 34.5 12.6 93 94 A G E - e 0 126A 20 32,-2.5 34,-1.9 -2,-0.3 2,-0.4 -0.846 46.0 -99.0-162.9-159.3 -2.4 36.3 15.2 94 95 A D > - 0 0 69 -2,-0.2 3,-1.6 32,-0.2 7,-0.2 -0.973 13.8-143.2-147.9 124.2 -5.0 39.0 15.6 95 96 A S T 3 S+ 0 0 69 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.461 93.8 78.8 -68.5 -2.5 -4.4 42.6 16.7 96 97 A S T 3 S+ 0 0 95 3,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.595 84.7 81.4 -78.3 -10.4 -7.7 42.6 18.6 97 98 A Y S < S- 0 0 133 -3,-1.6 3,-0.3 1,-0.1 -4,-0.0 -0.656 85.5-127.2 -93.9 151.6 -5.8 40.6 21.3 98 99 A E S S+ 0 0 161 1,-0.3 2,-1.3 -2,-0.2 -1,-0.1 0.946 107.2 48.7 -62.6 -50.1 -3.6 42.1 24.0 99 100 A Y S > S- 0 0 166 -3,-0.0 3,-1.5 -5,-0.0 2,-0.5 -0.681 83.7-164.5 -94.4 80.3 -0.7 39.8 23.1 100 101 A F T 3 S- 0 0 63 -2,-1.3 -5,-0.1 -3,-0.3 -7,-0.1 -0.516 76.9 -16.4 -67.2 114.0 -0.6 40.2 19.3 101 102 A C T >> S+ 0 0 1 -2,-0.5 3,-1.4 -7,-0.2 4,-1.0 0.847 86.3 161.9 55.2 37.2 1.5 37.4 17.9 102 103 A G H <> + 0 0 8 -3,-1.5 4,-2.2 1,-0.3 5,-0.2 0.793 64.1 67.1 -59.5 -28.8 2.9 36.9 21.4 103 104 A A H 3> S+ 0 0 0 -38,-0.2 4,-2.3 -4,-0.2 -1,-0.3 0.880 96.6 56.3 -61.5 -34.2 4.1 33.3 20.5 104 105 A V H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.940 108.1 46.6 -63.0 -44.9 6.6 35.0 18.1 105 106 A D H X S+ 0 0 78 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.911 111.6 51.7 -61.2 -43.3 8.1 37.0 21.0 106 107 A A H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.890 112.2 45.1 -60.5 -45.3 8.2 34.0 23.3 107 108 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.939 113.5 49.6 -68.3 -44.8 10.1 31.9 20.7 108 109 A E H X S+ 0 0 13 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.929 111.1 49.7 -60.0 -45.1 12.5 34.7 19.8 109 110 A E H X S+ 0 0 113 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.918 112.3 45.9 -62.4 -45.5 13.3 35.4 23.4 110 111 A K H X S+ 0 0 47 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.903 112.4 51.0 -66.9 -38.8 14.0 31.7 24.2 111 112 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-0.2 0.910 109.9 50.8 -62.3 -41.3 16.2 31.2 21.1 112 113 A K H ><5S+ 0 0 114 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.923 109.2 51.0 -61.2 -44.5 18.1 34.3 22.1 113 114 A N H 3<5S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.738 108.6 52.4 -63.6 -26.6 18.6 32.8 25.6 114 115 A L T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.344 123.6-103.5 -90.5 1.8 19.9 29.6 24.0 115 116 A G T < 5 + 0 0 43 -3,-1.4 -31,-2.4 1,-0.2 -3,-0.2 0.641 67.1 150.9 85.9 17.5 22.5 31.4 21.9 116 117 A A < - 0 0 14 -5,-2.8 2,-0.7 -33,-0.2 -1,-0.2 -0.355 48.5-119.3 -76.0 162.3 20.8 31.3 18.5 117 118 A E E -d 86 0A 95 -32,-3.3 -30,-2.6 -35,-0.3 2,-0.8 -0.891 20.0-148.3-105.4 107.2 21.5 34.1 16.0 118 119 A I E -d 87 0A 43 -2,-0.7 -30,-0.2 -32,-0.2 -32,-0.1 -0.648 12.5-169.8 -78.7 109.9 18.2 35.9 15.1 119 120 A V + 0 0 19 -32,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.695 64.5 1.9 -74.5 -23.8 18.7 37.0 11.5 120 121 A Q S S- 0 0 61 -33,-0.5 -31,-0.4 26,-0.0 -1,-0.2 -0.980 87.2 -85.2-161.8 152.8 15.7 39.3 11.1 121 122 A D - 0 0 123 -2,-0.3 -2,-0.0 1,-0.1 -33,-0.0 -0.394 63.0 -88.5 -64.0 147.1 12.8 40.5 13.3 122 123 A G - 0 0 10 1,-0.1 2,-0.6 -32,-0.1 -32,-0.2 -0.132 33.1-118.4 -60.2 147.6 9.9 38.2 13.4 123 124 A L E -e 90 0A 18 -34,-2.0 -32,-1.6 -3,-0.1 2,-0.6 -0.779 30.2-169.7 -87.1 119.4 7.1 38.3 10.8 124 125 A R E -e 91 0A 81 -2,-0.6 2,-0.5 -34,-0.2 -32,-0.2 -0.953 4.5-161.1-115.6 111.3 3.8 39.0 12.7 125 126 A I E -e 92 0A 6 -34,-2.6 -32,-2.5 -2,-0.6 2,-0.5 -0.846 5.0-155.0-101.2 129.6 0.7 38.6 10.5 126 127 A D E -e 93 0A 81 -2,-0.5 -32,-0.2 -34,-0.2 2,-0.1 -0.878 61.9 -25.3-100.5 121.2 -2.6 40.2 11.4 127 128 A G S S+ 0 0 36 -34,-1.9 -34,-0.2 -2,-0.5 5,-0.1 -0.409 118.5 9.9 81.1-152.1 -5.7 38.4 10.0 128 129 A D > - 0 0 81 1,-0.2 3,-1.2 -2,-0.1 4,-0.4 -0.492 57.6-153.5 -69.0 118.3 -5.7 36.2 6.8 129 130 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 7,-0.2 0.769 91.5 70.8 -64.2 -26.3 -2.2 35.6 5.6 130 131 A R G > S+ 0 0 122 1,-0.3 3,-0.8 2,-0.2 4,-0.1 0.843 99.3 48.9 -60.2 -31.8 -3.6 35.1 2.0 131 132 A A G < S+ 0 0 94 -3,-1.2 -1,-0.3 1,-0.2 3,-0.2 0.551 110.5 51.6 -82.0 -8.8 -4.2 38.9 2.1 132 133 A A G X> + 0 0 14 -3,-1.2 4,-2.1 -4,-0.4 3,-0.7 0.107 69.4 125.3-114.0 21.9 -0.6 39.5 3.3 133 134 A R H <> S+ 0 0 104 -3,-0.8 4,-2.2 1,-0.3 5,-0.2 0.875 72.3 52.9 -51.2 -42.4 1.1 37.5 0.7 134 135 A D H 3> S+ 0 0 137 1,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.858 107.7 51.4 -62.2 -38.6 3.4 40.4 -0.4 135 136 A D H <> S+ 0 0 109 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.909 110.7 48.3 -65.7 -41.9 4.5 40.9 3.2 136 137 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 -7,-0.2 5,-0.3 0.955 113.5 46.1 -63.4 -51.6 5.4 37.1 3.6 137 138 A V H X S+ 0 0 35 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.931 113.5 49.6 -56.6 -45.4 7.4 37.0 0.3 138 139 A G H X S+ 0 0 28 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.922 112.1 47.2 -62.9 -44.6 9.2 40.3 1.1 139 140 A W H X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 111.5 50.6 -65.0 -40.8 10.2 39.0 4.6 140 141 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.922 109.8 52.6 -59.9 -43.2 11.3 35.7 3.1 141 142 A H H X S+ 0 0 99 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.927 110.1 47.2 -59.0 -45.3 13.3 37.8 0.6 142 143 A D H X S+ 0 0 86 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.862 107.5 55.6 -68.7 -35.2 15.0 39.8 3.5 143 144 A V H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.7 0.899 106.1 51.4 -68.5 -36.7 15.8 36.7 5.5 144 145 A R H >< S+ 0 0 72 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.833 106.8 55.4 -61.8 -34.6 17.8 35.2 2.6 145 146 A G H 3< S+ 0 0 70 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.681 105.8 51.9 -70.3 -18.7 19.7 38.5 2.3 146 147 A A H << 0 0 38 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.529 360.0 360.0 -93.6 -12.9 20.7 38.2 6.0 147 148 A I << 0 0 77 -4,-0.7 -96,-0.1 -3,-0.6 -97,-0.0 -0.447 360.0 360.0 -89.0 360.0 22.1 34.6 5.6