==== 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 19-NOV-09 2KQU . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR S.AYUSO-TEJEDOR,J.SANCHO,M.A.JIMENEZ,P.BERNADO . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 14.2 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+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 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.2 9.5 -6.0 14.2 2 2 A K + 0 0 146 1,-0.1 45,-0.0 45,-0.1 47,-0.0 -0.151 360.0 143.7 -45.7 131.6 9.2 -3.7 11.2 3 3 A K + 0 0 98 27,-0.1 46,-0.3 2,-0.0 2,-0.2 -0.232 20.7 179.9-174.9 70.5 8.4 -5.7 8.1 4 4 A I - 0 0 9 44,-0.1 28,-1.8 43,-0.1 2,-0.3 -0.513 8.2-173.0 -80.5 148.5 6.0 -3.9 5.7 5 5 A G E -ab 32 50A 0 44,-1.5 46,-1.1 26,-0.2 2,-0.5 -0.873 20.8-132.1-137.1 169.0 5.0 -5.7 2.5 6 6 A L E +ab 33 51A 26 26,-1.8 28,-1.9 -2,-0.3 2,-0.5 -0.973 24.1 175.5-130.1 116.5 3.1 -5.0 -0.7 7 7 A F + 0 0 10 44,-2.0 46,-0.2 -2,-0.5 2,-0.2 -0.983 7.8 162.8-125.7 125.0 0.5 -7.4 -2.0 8 8 A Y - 0 0 68 -2,-0.5 4,-0.0 44,-0.1 44,-0.0 -0.705 35.5-143.7-128.8 179.8 -1.7 -6.8 -5.0 9 9 A G S S+ 0 0 41 -2,-0.2 2,-0.3 45,-0.1 43,-0.0 -0.080 75.5 60.2-138.3 33.4 -3.9 -8.7 -7.4 10 10 A T S S- 0 0 115 1,-0.3 -2,-0.1 2,-0.0 43,-0.0 -0.940 88.8 -72.6-152.6 170.7 -3.2 -6.9 -10.7 11 11 A Q - 0 0 168 -2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.245 46.3-115.2 -53.1-172.5 -0.5 -6.1 -13.1 12 12 A T - 0 0 100 1,-0.2 2,-0.2 -4,-0.0 -1,-0.1 0.784 36.5-121.2 -93.7 -96.4 2.2 -3.5 -12.4 13 13 A G - 0 0 48 2,-0.2 -1,-0.2 3,-0.1 -2,-0.0 -0.733 41.6 -59.4-175.8-133.2 2.3 -0.4 -14.5 14 14 A K S S+ 0 0 157 -2,-0.2 2,-0.3 0, 0.0 0, 0.0 0.002 92.5 108.2-129.7 24.3 4.7 1.4 -16.8 15 15 A T - 0 0 84 1,-0.2 -2,-0.2 0, 0.0 3,-0.1 -0.726 68.0-127.4-105.1 154.9 7.5 2.0 -14.3 16 16 A E S S- 0 0 182 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.967 85.1 -26.0 -59.8 -90.6 10.9 0.3 -14.1 17 17 A S >> + 0 0 62 1,-0.1 3,-1.7 2,-0.0 4,-1.4 -0.642 64.6 165.7-132.4 74.6 11.2 -1.0 -10.5 18 18 A V H 3> S+ 0 0 65 1,-0.3 4,-3.2 -2,-0.2 5,-0.4 0.866 78.1 67.0 -55.3 -38.3 9.0 1.1 -8.3 19 19 A A H 3> S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.819 101.3 50.1 -51.9 -32.3 9.4 -1.5 -5.7 20 20 A E H <> S+ 0 0 99 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.926 111.1 46.1 -72.3 -47.4 13.0 -0.4 -5.7 21 21 A I H X S+ 0 0 67 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.966 115.8 44.8 -58.9 -56.4 12.2 3.2 -5.3 22 22 A I H X S+ 0 0 9 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.856 112.4 55.1 -55.8 -36.8 9.7 2.6 -2.5 23 23 A R H < S+ 0 0 56 -4,-1.4 4,-0.5 -5,-0.4 -1,-0.2 0.912 110.7 42.5 -62.9 -44.7 12.2 0.3 -1.0 24 24 A D H < S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.685 114.3 55.5 -74.3 -18.9 14.9 3.0 -1.0 25 25 A E H < S+ 0 0 34 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.929 97.1 58.5 -77.6 -49.7 12.2 5.3 0.3 26 26 A F S < S- 0 0 15 -4,-3.1 2,-1.7 1,-0.2 -1,-0.2 0.697 98.1-146.2 -53.2 -19.1 11.1 3.2 3.3 27 27 A G S S+ 0 0 4 -4,-0.5 -1,-0.2 1,-0.2 -4,-0.0 -0.544 71.8 67.5 87.3 -71.4 14.8 3.7 4.3 28 28 A N S S- 0 0 75 -2,-1.7 -1,-0.2 -3,-0.1 -2,-0.1 0.387 99.6-101.7 -59.5-155.2 15.1 0.3 6.0 29 29 A D S S+ 0 0 86 -3,-0.1 2,-0.4 -5,-0.0 -1,-0.1 0.431 72.0 134.9-112.9 -7.7 15.0 -2.9 4.0 30 30 A V + 0 0 14 -4,-0.1 2,-0.2 1,-0.1 -27,-0.1 -0.246 23.3 138.1 -48.3 100.8 11.5 -3.8 5.0 31 31 A V + 0 0 44 -2,-0.4 2,-0.7 2,-0.1 -26,-0.2 -0.627 16.1 161.9-154.6 86.9 10.2 -4.8 1.5 32 32 A T E +a 5 0A 23 -28,-1.8 -26,-1.8 -2,-0.2 2,-0.2 -0.883 14.0 177.2-114.4 99.5 8.0 -7.9 1.4 33 33 A L E > -a 6 0A 39 -2,-0.7 3,-0.9 -28,-0.3 -26,-0.2 -0.517 44.0-113.9 -96.2 166.2 6.0 -8.1 -1.8 34 34 A H T 3 S+ 0 0 34 -28,-1.9 3,-0.4 1,-0.3 5,-0.2 0.438 84.6 115.7 -77.4 0.5 3.7 -10.8 -3.0 35 35 A D T 3 + 0 0 102 1,-0.3 2,-1.1 -29,-0.3 3,-0.3 0.779 66.1 68.9 -38.8 -31.2 6.2 -11.4 -5.7 36 36 A V X + 0 0 63 -3,-0.9 3,-3.3 1,-0.2 -1,-0.3 -0.266 59.3 148.5 -86.4 47.8 6.5 -14.8 -3.9 37 37 A S T 3 + 0 0 89 -2,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.701 62.2 75.3 -54.3 -19.0 3.1 -15.7 -5.0 38 38 A Q T 3 S+ 0 0 184 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.1 0.530 93.4 66.8 -71.2 -5.4 4.5 -19.2 -5.0 39 39 A A S < S- 0 0 37 -3,-3.3 2,-0.2 -5,-0.2 -5,-0.0 -0.305 93.9 -90.2-102.8-171.5 4.1 -18.9 -1.2 40 40 A E > - 0 0 152 -2,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.628 30.2-112.3-101.8 161.8 1.1 -18.7 1.1 41 41 A V T >> S+ 0 0 35 1,-0.3 4,-1.8 -2,-0.2 3,-0.7 0.624 106.0 87.6 -65.2 -11.9 -0.7 -15.6 2.3 42 42 A T H 3> S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.774 74.1 70.2 -57.4 -27.0 0.7 -16.6 5.7 43 43 A D H <> S+ 0 0 48 -3,-1.9 4,-0.8 1,-0.2 3,-0.5 0.947 108.4 32.1 -55.1 -53.3 3.8 -14.6 4.7 44 44 A L H <4 S+ 0 0 0 -3,-0.7 5,-0.3 -4,-0.3 -1,-0.2 0.725 110.8 68.7 -75.9 -22.9 1.8 -11.4 5.1 45 45 A N H < S+ 0 0 80 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 96.2 54.3 -64.1 -30.8 -0.2 -13.0 7.8 46 46 A D H < S+ 0 0 107 -4,-1.8 2,-0.3 -3,-0.5 -1,-0.2 0.866 107.2 59.7 -70.2 -37.8 3.0 -12.9 9.9 47 47 A Y < - 0 0 40 -4,-0.8 -43,-0.1 -5,-0.2 -45,-0.1 -0.677 69.3-151.6 -94.8 147.9 3.3 -9.2 9.4 48 48 A Q S S+ 0 0 95 -2,-0.3 34,-2.7 1,-0.1 2,-0.3 -0.163 77.0 73.3-107.9 36.3 0.7 -6.7 10.4 49 49 A Y E + c 0 82A 64 -46,-0.3 -44,-1.5 -5,-0.3 2,-0.3 -0.856 52.8 149.8-154.7 113.6 1.6 -4.2 7.7 50 50 A L E -bc 5 83A 0 32,-2.0 34,-1.9 -2,-0.3 2,-0.4 -0.917 32.8-130.6-139.7 164.0 0.9 -4.5 4.0 51 51 A I E -bc 6 84A 9 -46,-1.1 -44,-2.0 -2,-0.3 2,-0.3 -0.954 19.6-167.0-121.4 138.9 0.2 -2.2 1.0 52 52 A I E - c 0 85A 13 32,-2.5 34,-1.2 -2,-0.4 -44,-0.1 -0.765 14.2-156.8-119.7 165.6 -2.7 -2.5 -1.4 53 53 A G S S- 0 0 23 1,-0.4 34,-0.4 -2,-0.3 33,-0.3 0.828 70.4 -10.3-103.8 -68.5 -3.4 -0.8 -4.8 54 54 A C S S- 0 0 98 32,-0.1 -1,-0.4 31,-0.1 -45,-0.1 -0.956 71.1-105.5-137.1 153.9 -7.1 -0.9 -5.5 55 55 A P - 0 0 66 0, 0.0 2,-0.0 0, 0.0 30,-0.0 -0.282 41.2 -99.5 -75.0 163.3 -10.1 -2.6 -3.9 56 56 A T - 0 0 81 2,-0.1 2,-0.7 1,-0.1 0, 0.0 -0.201 27.2-115.3 -76.5 172.0 -11.9 -5.5 -5.3 57 57 A W + 0 0 209 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.748 66.4 124.4-112.6 80.6 -15.2 -5.4 -7.3 58 58 A N - 0 0 101 -2,-0.7 2,-0.2 2,-0.1 7,-0.1 -0.806 32.9-179.5-143.1 96.3 -17.6 -7.3 -5.1 59 59 A I + 0 0 147 -2,-0.3 2,-0.2 5,-0.1 -2,-0.0 -0.548 18.2 128.6 -93.6 161.1 -20.8 -5.5 -4.1 60 60 A G - 0 0 36 -2,-0.2 4,-0.1 4,-0.1 -2,-0.1 -0.610 42.1-154.1 156.8 142.9 -23.5 -6.8 -1.9 61 61 A E S S- 0 0 182 2,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.389 94.0 -24.6-111.9 -3.2 -25.6 -6.0 1.1 62 62 A L S S+ 0 0 162 1,-0.1 2,-0.6 0, 0.0 3,-0.2 -0.037 130.5 32.8-166.1 -77.0 -26.3 -9.6 2.0 63 63 A Q S S+ 0 0 183 1,-0.1 -2,-0.3 0, 0.0 3,-0.1 -0.911 83.0 85.1-107.1 120.8 -26.2 -12.2 -0.7 64 64 A S + 0 0 56 -2,-0.6 2,-0.5 1,-0.4 -1,-0.1 0.055 59.5 85.8-171.3 -58.8 -23.7 -11.7 -3.6 65 65 A D + 0 0 104 -3,-0.2 -1,-0.4 1,-0.2 3,-0.1 -0.518 42.7 162.3 -67.7 117.6 -20.3 -13.0 -2.8 66 66 A W - 0 0 225 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.856 58.0 -38.8 -99.2 -64.3 -20.3 -16.7 -3.7 67 67 A E - 0 0 185 2,-0.0 -1,-0.4 0, 0.0 2,-0.2 -0.938 50.3-150.3-156.5 174.1 -16.6 -17.6 -3.9 68 68 A G - 0 0 69 -2,-0.3 3,-0.0 -3,-0.1 2,-0.0 -0.766 16.6-133.3-140.5-175.4 -13.2 -16.4 -5.1 69 69 A L S S+ 0 0 165 -2,-0.2 2,-0.3 0, 0.0 -2,-0.0 -0.493 70.9 64.5-147.3 68.9 -9.9 -17.5 -6.4 70 70 A Y - 0 0 176 2,-0.1 2,-0.4 -2,-0.0 -2,-0.1 -0.925 62.2-132.3 180.0 157.9 -7.1 -15.8 -4.5 71 71 A S + 0 0 77 -2,-0.3 2,-0.2 4,-0.1 0, 0.0 -0.757 41.3 157.5-126.9 83.6 -5.4 -15.4 -1.1 72 72 A E >> - 0 0 28 -2,-0.4 3,-3.8 1,-0.1 4,-1.5 -0.639 59.8-101.9-104.3 163.5 -4.9 -11.8 -0.4 73 73 A L T 34>S+ 0 0 1 1,-0.3 5,-0.5 2,-0.2 -1,-0.1 0.779 121.4 70.9 -51.7 -27.3 -4.5 -10.0 2.9 74 74 A D T 345S+ 0 0 60 1,-0.2 -1,-0.3 3,-0.1 35,-0.1 0.735 103.9 41.4 -61.9 -22.0 -8.1 -9.0 2.4 75 75 A D T <45S+ 0 0 116 -3,-3.8 -2,-0.2 33,-0.1 -1,-0.2 0.897 94.6 92.7 -89.4 -51.5 -8.8 -12.7 3.1 76 76 A V T <5S- 0 0 11 -4,-1.5 2,-1.4 1,-0.2 -4,-0.0 0.048 92.5-108.2 -40.4 153.2 -6.3 -13.2 6.0 77 77 A D T 5 - 0 0 116 2,-0.0 -1,-0.2 35,-0.0 -3,-0.1 -0.291 52.2-177.4 -84.6 50.4 -7.9 -12.7 9.4 78 78 A F < - 0 0 6 -2,-1.4 2,-0.4 -5,-0.5 3,-0.1 -0.178 5.9-166.6 -51.9 139.5 -5.9 -9.5 9.8 79 79 A N - 0 0 111 1,-0.2 35,-0.2 33,-0.1 34,-0.1 -0.995 60.2 -20.7-137.1 128.3 -6.4 -7.8 13.1 80 80 A G S S+ 0 0 53 -2,-0.4 34,-0.4 29,-0.2 2,-0.3 0.905 94.5 144.1 37.7 70.5 -5.4 -4.3 14.1 81 81 A K E - d 0 114A 8 32,-1.7 34,-2.1 28,-0.2 2,-0.4 -0.801 52.2-104.8-129.9 170.9 -2.9 -3.9 11.3 82 82 A L E -cd 49 115A 24 -34,-2.7 -32,-2.0 -2,-0.3 2,-0.4 -0.848 30.9-176.9-102.5 134.4 -1.7 -1.1 9.0 83 83 A V E -cd 50 116A 3 32,-2.1 34,-2.3 -2,-0.4 2,-0.6 -0.959 7.2-164.0-135.3 114.7 -2.7 -1.1 5.3 84 84 A A E -cd 51 117A 0 -34,-1.9 -32,-2.5 -2,-0.4 2,-0.2 -0.878 11.1-155.9-102.2 123.2 -1.4 1.5 2.9 85 85 A Y E -c 52 0A 49 32,-3.2 -32,-0.2 -2,-0.6 -31,-0.1 -0.642 34.3-102.0 -97.1 155.0 -3.3 1.9 -0.3 86 86 A F - 0 0 127 -34,-1.2 2,-0.5 -33,-0.3 -33,-0.1 0.837 59.9-141.5 -37.8 -45.6 -1.9 3.3 -3.6 87 87 A G - 0 0 32 -34,-0.4 2,-0.2 30,-0.1 32,-0.2 -0.974 41.4 -19.0 122.2-122.7 -3.7 6.5 -2.7 88 88 A T + 0 0 80 -2,-0.5 31,-0.0 30,-0.3 0, 0.0 -0.677 51.0 144.0-119.3 173.9 -5.5 8.6 -5.3 89 89 A G S S- 0 0 72 -2,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.068 78.8 -30.2-169.6 -61.0 -5.4 9.0 -9.1 90 90 A D S S+ 0 0 151 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.261 97.0 83.9-179.9 79.9 -8.8 9.7 -10.7 91 91 A Q - 0 0 162 2,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.966 50.1-140.1-173.9 166.6 -11.9 8.3 -9.0 92 92 A I + 0 0 152 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.963 14.6 174.9-146.5 124.5 -14.5 8.9 -6.3 93 93 A G - 0 0 65 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.708 25.4-144.2-132.4 81.3 -16.0 6.4 -4.0 94 94 A Y + 0 0 226 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 -0.139 39.8 142.4 -45.7 130.6 -18.3 8.1 -1.5 95 95 A A - 0 0 81 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.911 58.4 -81.9-172.5 145.6 -18.0 6.3 1.9 96 96 A D - 0 0 82 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.323 40.3-130.6 -55.7 125.5 -18.0 7.1 5.6 97 97 A N - 0 0 117 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.928 51.9 -91.7 -41.0 -67.5 -14.5 8.2 6.5 98 98 A N S S+ 0 0 104 1,-0.1 2,-1.5 13,-0.0 -1,-0.1 0.057 100.5 98.0-180.0 -47.4 -14.4 5.8 9.5 99 99 A Q + 0 0 154 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.484 65.1 98.1 -66.9 91.2 -15.6 7.6 12.6 100 100 A D - 0 0 105 -2,-1.5 2,-0.6 -4,-0.1 -4,-0.0 -0.893 63.3-135.8-174.8 145.2 -19.1 6.4 12.6 101 101 A A + 0 0 99 -2,-0.3 2,-0.2 3,-0.0 3,-0.1 -0.916 55.0 112.3-115.0 105.0 -21.2 3.7 14.3 102 102 A I + 0 0 139 -2,-0.6 2,-0.1 1,-0.2 -2,-0.0 -0.754 62.1 4.0-173.8 122.1 -23.6 1.9 11.9 103 103 A G S S- 0 0 71 -2,-0.2 2,-0.4 0, 0.0 -1,-0.2 -0.306 94.3 -49.2 93.0-179.0 -23.6 -1.6 10.6 104 104 A I - 0 0 140 2,-0.2 -3,-0.0 1,-0.1 0, 0.0 -0.793 39.5-135.4 -96.7 134.7 -21.5 -4.6 11.5 105 105 A L S > S+ 0 0 125 -2,-0.4 3,-0.7 2,-0.1 -1,-0.1 0.918 82.0 98.6 -49.9 -49.8 -17.7 -4.3 11.5 106 106 A E T 3 + 0 0 134 1,-0.2 -2,-0.2 6,-0.1 3,-0.1 -0.175 52.6 85.8 -44.9 117.8 -17.5 -7.6 9.7 107 107 A E T 3 S+ 0 0 143 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.026 91.0 2.8-179.9 -50.6 -17.0 -6.6 6.0 108 108 A K <> - 0 0 107 -3,-0.7 4,-1.5 1,-0.1 -1,-0.3 -0.945 66.2-109.2-150.7 166.9 -13.4 -6.0 5.3 109 109 A I H > S+ 0 0 9 -2,-0.3 4,-2.3 2,-0.2 -29,-0.2 0.930 116.6 58.6 -64.8 -47.1 -9.9 -6.1 6.9 110 110 A S H 4 S+ 0 0 43 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.889 118.6 31.7 -48.2 -45.7 -9.7 -2.3 6.9 111 111 A Q H 4 S+ 0 0 98 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.653 109.7 72.6 -86.1 -18.8 -12.8 -2.2 9.0 112 112 A R H < S- 0 0 86 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.2 0.965 123.4 -42.8 -59.0 -56.6 -12.0 -5.5 10.6 113 113 A G S < S+ 0 0 20 -4,-2.3 -32,-1.7 -34,-0.1 2,-0.3 -0.564 103.2 39.6 178.2 111.8 -9.2 -4.1 12.7 114 114 A G E S-d 81 0A 33 -34,-0.4 2,-0.3 -4,-0.2 -32,-0.2 -0.940 76.6 -67.8 143.3-163.1 -6.5 -1.6 11.9 115 115 A K E -d 82 0A 147 -34,-2.1 -32,-2.1 -2,-0.3 2,-0.4 -0.943 30.9-151.7-129.7 150.4 -5.9 1.6 9.9 116 116 A T E -d 83 0A 62 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.986 9.9-167.8-126.7 131.8 -6.0 2.4 6.2 117 117 A V E +d 84 0A 10 -34,-2.3 -32,-3.2 -2,-0.4 -30,-0.1 -0.811 33.3 125.1-115.7 156.9 -4.0 5.1 4.5 118 118 A G + 0 0 22 1,-0.5 -30,-0.3 -2,-0.3 -1,-0.1 0.153 54.8 80.3-172.5 -45.0 -4.3 6.4 0.9 119 119 A Y - 0 0 164 -32,-0.2 -1,-0.5 43,-0.1 2,-0.5 -0.332 67.0-134.4 -78.7 162.8 -4.9 10.2 1.0 120 120 A W + 0 0 157 -3,-0.1 2,-0.3 -2,-0.1 39,-0.0 -0.986 23.5 173.2-123.9 125.8 -2.1 12.8 1.4 121 121 A S - 0 0 101 -2,-0.5 -2,-0.0 41,-0.0 -1,-0.0 -0.657 16.9-164.5-132.7 75.9 -2.5 15.7 3.8 122 122 A T + 0 0 88 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.026 28.6 145.1 -54.5 163.7 0.8 17.5 4.0 123 123 A D + 0 0 166 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.180 68.5 16.4-167.1 -46.2 1.3 20.0 6.8 124 124 A G + 0 0 70 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.933 44.6 164.0-150.4 121.7 4.9 19.9 7.9 125 125 A Y + 0 0 208 -2,-0.3 2,-1.3 1,-0.1 3,-0.4 -0.041 40.5 121.4-124.9 28.2 7.9 18.4 6.1 126 126 A D + 0 0 152 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.450 49.2 91.9 -90.9 60.3 10.7 20.1 8.1 127 127 A F - 0 0 179 -2,-1.3 -1,-0.2 2,-0.0 -2,-0.1 0.734 63.8-160.0-115.0 -55.6 12.2 16.8 9.1 128 128 A N - 0 0 151 -3,-0.4 2,-0.2 1,-0.0 -2,-0.1 0.940 14.0-162.1 65.7 95.1 14.9 15.9 6.6 129 129 A D - 0 0 77 2,-0.0 2,-0.1 0, 0.0 -102,-0.0 -0.517 16.7-172.9-102.0 171.9 15.6 12.2 6.9 130 130 A S - 0 0 110 -2,-0.2 2,-1.9 2,-0.0 -103,-0.0 -0.439 5.2-171.9-168.4 83.1 18.5 10.2 5.7 131 131 A K - 0 0 146 -107,-0.2 2,-0.3 -106,-0.1 -104,-0.1 -0.572 21.9-151.7 -82.5 78.1 18.4 6.4 5.9 132 132 A A + 0 0 106 -2,-1.9 2,-0.3 3,-0.0 -2,-0.0 -0.346 32.6 156.5 -54.8 110.4 21.9 5.7 4.9 133 133 A L - 0 0 61 -2,-0.3 3,-0.5 -109,-0.1 2,-0.4 -0.998 51.3 -98.1-143.4 141.5 21.7 2.3 3.4 134 134 A R S S+ 0 0 243 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.431 84.4 96.6 -61.4 114.4 23.9 0.4 0.9 135 135 A N S S- 0 0 75 -2,-0.4 -1,-0.2 -111,-0.0 2,-0.2 0.141 73.3-113.5-159.7 -66.7 22.2 0.9 -2.5 136 136 A G - 0 0 49 -3,-0.5 2,-0.4 0, 0.0 -3,-0.0 -0.551 12.8-110.9 132.0 163.7 23.5 3.7 -4.6 137 137 A K + 0 0 190 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.987 37.5 153.4-135.2 123.0 22.5 7.1 -6.0 138 138 A F - 0 0 201 -2,-0.4 2,-0.2 2,-0.0 0, 0.0 -0.796 19.3-165.0-153.7 104.8 22.0 7.8 -9.7 139 139 A V + 0 0 153 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.526 28.0 125.5 -88.2 156.8 19.7 10.5 -11.0 140 140 A G - 0 0 65 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.964 34.8-137.4 178.6-169.5 18.5 10.7 -14.6 141 141 A L - 0 0 176 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.931 3.2-157.4-160.7 178.3 15.5 10.9 -16.9 142 142 A A - 0 0 91 -2,-0.3 2,-0.7 2,-0.0 -2,-0.0 -0.807 26.4-118.8-171.8 126.7 14.0 9.6 -20.1 143 143 A L - 0 0 179 -2,-0.2 2,-0.3 1,-0.0 3,-0.0 -0.604 33.4-147.2 -73.8 113.4 11.4 10.9 -22.5 144 144 A D - 0 0 84 -2,-0.7 -1,-0.0 1,-0.1 -2,-0.0 -0.624 13.8-129.7 -84.2 140.1 8.5 8.4 -22.5 145 145 A E S S+ 0 0 171 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.929 85.2 91.6 -51.0 -52.3 6.6 8.0 -25.8 146 146 A D S S- 0 0 68 1,-0.1 -2,-0.1 -3,-0.0 0, 0.0 -0.025 73.3-142.6 -43.8 148.7 3.3 8.4 -24.0 147 147 A N S S+ 0 0 166 2,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.935 72.7 90.8 -81.8 -54.0 2.1 12.0 -23.9 148 148 A Q S S- 0 0 125 1,-0.1 2,-0.2 0, 0.0 -4,-0.1 0.101 74.2-128.3 -39.0 156.5 0.6 12.1 -20.5 149 149 A S - 0 0 100 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.542 13.0-120.2-107.6 174.9 3.0 13.1 -17.7 150 150 A D - 0 0 125 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.589 33.7 -87.9-110.0 173.3 4.0 11.6 -14.4 151 151 A L - 0 0 110 -2,-0.2 -1,-0.2 1,-0.1 4,-0.1 -0.105 64.2 -62.9 -72.1 176.1 3.7 12.8 -10.8 152 152 A T - 0 0 102 1,-0.1 3,-0.4 2,-0.1 4,-0.2 0.143 44.4-116.1 -50.7 175.9 6.3 14.9 -9.1 153 153 A D S S+ 0 0 143 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.754 116.3 52.9 -88.3 -29.4 9.8 13.5 -8.5 154 154 A D S > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.1 -1,-0.2 0.100 80.8 105.1 -91.7 20.8 9.4 13.6 -4.7 155 155 A R H >> S+ 0 0 73 -3,-0.4 4,-2.5 2,-0.2 3,-0.7 0.962 77.3 48.3 -64.3 -54.3 6.2 11.7 -5.1 156 156 A I H 3> S+ 0 0 41 -3,-0.4 4,-2.8 1,-0.3 5,-0.3 0.901 110.9 52.2 -52.2 -45.0 7.7 8.4 -3.9 157 157 A K H 3> S+ 0 0 81 -4,-0.3 4,-1.8 3,-0.2 -1,-0.3 0.815 113.4 47.4 -61.2 -31.0 9.1 10.3 -0.9 158 158 A S H