==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 04-SEP-00 1FQF . COMPND 2 MOLECULE: SEROTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.NURIZZO,H. M.BAKER,E.N.BAKER . 329 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 2 0 1 2 2 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 3 A D 0 0 187 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.1 26.8 29.3 58.3 2 4 A K + 0 0 78 30,-0.2 32,-3.1 2,-0.1 2,-0.5 -0.403 360.0 128.9-108.0 51.9 30.5 29.5 57.5 3 5 A T E -a 34 0A 23 30,-0.2 2,-0.6 -2,-0.1 32,-0.2 -0.930 44.9-155.9-112.1 126.6 30.2 32.2 54.8 4 6 A V E -a 35 0A 0 30,-3.6 32,-2.7 -2,-0.5 2,-1.0 -0.918 14.7-142.3-100.5 122.6 32.3 35.3 54.9 5 7 A R E -a 36 0A 56 -2,-0.6 51,-3.5 30,-0.2 52,-1.8 -0.771 18.4-158.2 -88.8 99.9 30.6 38.2 53.0 6 8 A W E -ab 37 57A 1 30,-2.7 32,-2.8 -2,-1.0 2,-0.8 -0.611 11.2-133.6 -81.1 136.5 33.4 40.0 51.3 7 9 A a E -a 38 0A 0 50,-3.0 2,-0.5 -2,-0.3 52,-0.3 -0.803 20.9-163.6 -95.3 112.5 32.8 43.6 50.2 8 10 A A E -a 39 0A 0 30,-3.1 32,-2.8 -2,-0.8 2,-0.9 -0.854 13.6-139.7 -98.0 129.0 33.9 44.2 46.7 9 11 A V E > -a 40 0A 13 -2,-0.5 4,-0.6 30,-0.2 170,-0.5 -0.775 64.0 -35.2 -91.3 98.9 34.4 47.8 45.5 10 12 A S H > S- 0 0 3 30,-2.7 4,-1.8 -2,-0.9 5,-0.1 -0.094 91.4 -48.1 84.6-177.3 33.0 47.9 41.9 11 13 A E H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.867 126.9 50.7 -59.0 -50.3 33.0 45.6 38.8 12 14 A H H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 113.6 43.5 -59.5 -47.5 36.6 44.5 38.7 13 15 A E H X S+ 0 0 25 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.873 111.1 56.3 -66.6 -36.7 36.8 43.5 42.3 14 16 A A H X S+ 0 0 26 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.820 107.3 49.6 -63.3 -33.6 33.4 41.8 42.0 15 17 A T H X S+ 0 0 63 -4,-1.6 4,-1.9 2,-0.2 3,-0.2 0.922 112.6 45.8 -71.1 -46.3 34.7 39.7 39.2 16 18 A K H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.856 109.8 56.4 -64.9 -34.8 37.9 38.7 41.1 17 19 A b H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.825 106.9 48.5 -66.1 -35.7 35.7 37.9 44.2 18 20 A Q H X S+ 0 0 91 -4,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.890 111.9 47.9 -72.9 -41.8 33.5 35.4 42.2 19 21 A S H X S+ 0 0 44 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.932 112.9 51.3 -62.5 -40.7 36.6 33.7 40.8 20 22 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.948 110.0 48.9 -57.5 -52.2 37.8 33.7 44.4 21 23 A R H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.915 115.1 43.5 -55.6 -49.3 34.5 32.2 45.5 22 24 A D H X S+ 0 0 84 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.875 112.0 50.5 -68.2 -41.4 34.6 29.4 42.8 23 25 A H H X S+ 0 0 40 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.809 112.1 49.8 -67.1 -29.6 38.2 28.5 43.2 24 26 A M H >X S+ 0 0 3 -4,-1.9 4,-2.9 -5,-0.3 3,-0.6 0.912 106.6 54.5 -73.1 -42.4 37.7 28.2 46.9 25 27 A K H 3< S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.843 106.5 54.7 -57.9 -35.3 34.6 26.0 46.4 26 28 A S H 3< S+ 0 0 86 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.790 120.6 24.9 -71.5 -32.5 36.7 23.6 44.3 27 29 A V H << S+ 0 0 59 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.1 0.735 104.7 82.0-104.6 -30.8 39.5 23.0 46.8 28 30 A I S < S- 0 0 16 -4,-2.9 239,-0.0 -5,-0.2 6,-0.0 -0.576 86.9-102.9 -82.1 138.7 37.9 23.6 50.2 29 31 A P > - 0 0 76 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.203 32.7-109.0 -57.0 149.0 35.8 20.8 51.9 30 32 A S T 3 S+ 0 0 137 1,-0.3 -2,-0.1 0, 0.0 -5,-0.0 0.672 120.2 51.4 -54.3 -17.5 32.0 21.2 51.7 31 33 A D T 3 S+ 0 0 119 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.349 97.5 90.4-102.8 5.4 32.1 21.9 55.5 32 34 A G S < S- 0 0 13 -3,-2.7 -30,-0.2 1,-0.2 2,-0.1 -0.146 86.4 -50.3 -93.3-171.9 34.7 24.6 55.4 33 35 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.293 52.8-161.4 -60.9 137.2 34.9 28.5 55.0 34 36 A S E -a 3 0A 11 -32,-3.1 -30,-3.6 -3,-0.1 2,-0.5 -0.868 10.9-139.2-124.0 152.8 33.0 30.1 52.1 35 37 A V E -a 4 0A 1 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.954 16.8-176.9-116.3 123.5 33.2 33.5 50.4 36 38 A A E -a 5 0A 19 -32,-2.7 -30,-2.7 -2,-0.5 2,-0.5 -0.814 22.0-129.1-110.3 154.9 30.1 35.4 49.3 37 39 A b E -a 6 0A 47 -2,-0.3 2,-0.5 -32,-0.2 -30,-0.2 -0.925 20.1-176.1-117.2 130.2 30.4 38.7 47.4 38 40 A V E -a 7 0A 36 -32,-2.8 -30,-3.1 -2,-0.5 2,-0.4 -0.987 20.7-142.9-119.7 122.8 28.7 42.0 48.2 39 41 A K E +a 8 0A 106 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.735 25.1 165.3 -95.7 132.9 29.2 44.9 45.7 40 42 A K E -a 9 0A 67 -32,-2.8 -30,-2.7 -2,-0.4 -26,-0.1 -0.888 40.8-123.8-135.5 166.1 29.7 48.5 46.6 41 43 A A S S+ 0 0 63 -2,-0.3 2,-0.3 -32,-0.2 136,-0.1 0.645 89.4 8.3 -87.6 -18.2 30.9 51.7 44.9 42 44 A S S > S- 0 0 11 -34,-0.1 4,-1.0 1,-0.1 -32,-0.1 -0.951 74.6-106.3-153.8 167.7 33.6 52.6 47.4 43 45 A Y H > S+ 0 0 32 134,-0.4 4,-2.1 -2,-0.3 5,-0.1 0.845 118.1 63.4 -66.8 -30.2 35.4 51.3 50.4 44 46 A L H > S+ 0 0 60 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.879 101.7 47.8 -58.5 -44.8 33.4 53.9 52.4 45 47 A D H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.805 110.1 54.4 -66.4 -30.9 30.2 52.1 51.5 46 48 A a H X S+ 0 0 0 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.831 106.1 51.7 -70.5 -35.9 31.9 48.8 52.5 47 49 A I H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 3,-0.4 0.979 112.3 44.4 -63.9 -55.3 32.7 50.3 55.9 48 50 A R H X S+ 0 0 127 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.859 113.2 53.8 -56.4 -39.2 29.0 51.3 56.5 49 51 A A H <>S+ 0 0 2 -4,-1.9 5,-3.3 2,-0.2 6,-0.9 0.846 108.8 46.3 -66.3 -37.7 27.9 47.9 55.1 50 52 A I H ><5S+ 0 0 0 -4,-1.9 3,-2.0 -3,-0.4 -2,-0.2 0.951 113.0 49.7 -70.2 -45.5 30.1 45.9 57.5 51 53 A A H 3<5S+ 0 0 36 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 110.7 51.5 -60.4 -33.1 29.0 48.0 60.5 52 54 A A T 3<5S- 0 0 53 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.201 117.6-114.7 -89.1 12.7 25.4 47.5 59.4 53 55 A N T < 5S+ 0 0 94 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.830 87.2 114.7 57.5 37.9 25.9 43.7 59.2 54 56 A E S > - 0 0 5 -2,-0.3 4,-2.2 186,-0.2 3,-0.7 -0.424 43.4-105.0 -69.2 151.4 44.8 50.9 53.6 62 64 A A H 3> S+ 0 0 0 183,-0.5 4,-1.1 1,-0.3 -1,-0.1 0.806 121.2 52.7 -50.9 -36.2 46.1 51.8 57.1 63 65 A G H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.876 110.8 46.4 -68.9 -36.3 44.8 55.4 56.9 64 66 A L H <> S+ 0 0 8 -3,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.838 103.6 63.5 -73.7 -31.4 41.4 54.1 56.0 65 67 A V H X S+ 0 0 1 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.834 99.9 55.6 -60.8 -31.6 41.6 51.6 58.9 66 68 A Y H >X S+ 0 0 18 -4,-1.1 4,-1.1 1,-0.2 3,-0.7 0.949 109.4 43.3 -66.0 -48.6 41.8 54.6 61.2 67 69 A D H 3< S+ 0 0 36 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.745 106.7 62.4 -67.9 -25.6 38.6 56.1 59.9 68 70 A A H 3< S+ 0 0 0 -4,-1.8 7,-2.8 1,-0.2 -1,-0.2 0.796 101.4 54.1 -67.8 -30.4 36.9 52.6 60.0 69 71 A Y H << S+ 0 0 59 -4,-1.0 5,-0.4 -3,-0.7 -2,-0.2 0.856 88.5 93.8 -71.6 -41.4 37.5 52.6 63.7 70 72 A L S >X S- 0 0 61 -4,-1.1 4,-1.2 4,-0.1 3,-1.1 -0.194 83.4 -65.3 -55.1 143.7 35.7 55.9 64.3 71 73 A A T 34 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.263 112.3 35.2 -63.8 161.0 32.0 55.8 65.3 72 74 A P T 34 S+ 0 0 121 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.967 128.3 44.1 -81.9 8.4 29.3 55.0 64.3 73 75 A N T <4 - 0 0 32 -3,-1.1 -2,-0.2 -6,-0.2 -4,-0.1 0.942 70.0-175.9 -76.8 -54.5 31.3 52.2 62.5 74 76 A N < + 0 0 84 -4,-1.2 179,-0.8 -5,-0.4 -5,-0.3 0.890 20.3 170.0 54.9 46.0 33.6 51.0 65.2 75 77 A L E -D 252 0B 2 -7,-2.8 234,-0.2 -5,-0.3 177,-0.2 -0.437 17.5-152.3 -82.7 162.4 35.5 48.5 62.8 76 78 A K E -D 251 0B 22 175,-2.6 175,-2.2 -2,-0.1 2,-0.2 -0.991 20.6-105.6-141.2 144.4 38.6 46.8 63.8 77 79 A P E +D 250 0B 2 0, 0.0 173,-0.3 0, 0.0 3,-0.1 -0.498 41.3 163.2 -68.0 131.7 41.7 45.3 62.0 78 80 A V E + 0 0 7 171,-3.5 225,-2.5 1,-0.3 2,-0.4 0.706 61.0 22.4-120.3 -37.5 41.6 41.5 61.9 79 81 A V E -DE 249 302B 0 170,-1.4 170,-3.5 223,-0.2 -1,-0.3 -0.968 66.2-156.9-139.1 121.9 44.0 40.2 59.2 80 82 A A E -DE 248 301B 5 221,-2.2 221,-1.8 -2,-0.4 168,-0.2 -0.715 14.3-130.5 -98.5 147.0 47.0 42.1 57.9 81 83 A E E - E 0 300B 0 166,-2.4 2,-0.4 -2,-0.3 219,-0.2 -0.578 22.0-147.5 -85.4 158.5 48.8 41.5 54.5 82 84 A F E - E 0 299B 14 217,-2.1 216,-3.7 -2,-0.2 217,-0.8 -0.977 12.7-167.2-130.7 143.9 52.5 41.2 54.5 83 85 A Y E +F 90 0C 4 7,-2.8 7,-3.0 -2,-0.4 2,-1.3 -0.463 52.6 51.0-114.8-169.9 55.0 42.2 51.8 84 86 A G E S-F 89 0C 36 212,-0.5 2,-0.3 5,-0.2 3,-0.0 -0.668 108.9 -28.3 83.7 -92.8 58.6 41.7 50.9 85 87 A S - 0 0 38 -2,-1.3 5,-0.1 3,-0.9 213,-0.1 -0.960 54.4-108.3-153.2 164.3 59.1 38.0 51.0 86 88 A K S S+ 0 0 123 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.781 118.9 49.6 -67.5 -27.7 57.6 34.9 52.7 87 89 A E S S+ 0 0 148 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.857 124.5 26.9 -77.4 -42.7 60.9 34.5 54.7 88 90 A D S S- 0 0 100 -5,-0.0 -3,-0.9 2,-0.0 -1,-0.3 -0.725 85.2-165.0-121.2 73.5 61.0 38.1 55.9 89 91 A P E -F 84 0C 49 0, 0.0 2,-0.7 0, 0.0 -5,-0.2 -0.451 6.6-150.8 -64.3 128.5 57.4 39.2 55.9 90 92 A Q E -F 83 0C 26 -7,-3.0 -7,-2.8 -2,-0.2 2,-0.3 -0.909 13.3-168.4-106.8 113.3 57.1 43.0 56.1 91 93 A T S S+ 0 0 65 -2,-0.7 155,-1.8 -9,-0.2 2,-0.3 -0.163 75.0 43.7 -90.3 42.7 53.9 44.3 57.7 92 94 A F E -G 245 0D 44 -2,-0.3 2,-0.3 153,-0.3 -9,-0.2 -0.943 64.4-161.7-166.5 174.9 54.8 47.8 56.5 93 95 A Y E -G 244 0D 0 151,-1.5 151,-2.8 -2,-0.3 2,-0.5 -0.947 29.0 -91.3-161.2 171.1 56.0 49.7 53.4 94 96 A Y E -G 243 0D 25 -2,-0.3 111,-1.6 149,-0.2 2,-0.5 -0.835 25.8-137.5-102.1 129.0 57.6 53.0 52.4 95 97 A A E +GH 242 204D 0 147,-2.8 146,-3.6 -2,-0.5 147,-1.0 -0.703 35.8 174.7 -82.2 120.6 55.6 56.1 51.3 96 98 A V E - H 0 203D 1 107,-2.8 107,-0.7 -2,-0.5 2,-0.4 -0.736 33.4-136.3-122.7 174.3 57.3 57.7 48.3 97 99 A A E - H 0 202D 0 -2,-0.2 127,-1.6 127,-0.2 2,-0.3 -0.945 23.7-158.0-133.5 102.5 56.8 60.5 45.8 98 100 A V E +IH 223 201D 1 103,-2.6 103,-2.8 -2,-0.4 2,-0.3 -0.696 18.4 167.4 -87.1 136.2 57.6 59.4 42.2 99 101 A V E -IH 222 200D 0 123,-3.1 123,-3.2 -2,-0.3 2,-0.2 -0.851 36.1 -94.8-137.1 169.5 58.5 62.1 39.7 100 102 A K E > -I 221 0D 75 99,-0.5 3,-1.0 121,-0.3 121,-0.3 -0.555 50.8 -84.8 -86.3 162.6 60.0 62.0 36.2 101 103 A K T 3 S+ 0 0 100 119,-3.2 -1,-0.1 1,-0.2 119,-0.1 -0.458 108.9 2.4 -70.8 129.1 63.7 62.5 35.4 102 104 A D T 3 S+ 0 0 141 -2,-0.2 -1,-0.2 1,-0.1 119,-0.0 0.829 75.8 139.5 63.9 41.3 64.6 66.2 35.2 103 105 A S < - 0 0 44 -3,-1.0 -2,-0.1 2,-0.1 -1,-0.1 0.537 61.7-132.2 -85.8 -11.4 61.2 67.8 36.0 104 106 A G + 0 0 68 1,-0.1 2,-0.3 0, 0.0 -3,-0.1 0.864 61.8 100.5 65.6 57.5 63.3 70.3 38.1 105 107 A F - 0 0 6 5,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.984 48.3-151.4-164.1 147.3 61.6 70.5 41.5 106 108 A Q > - 0 0 44 -2,-0.3 3,-1.7 118,-0.1 118,-0.1 -0.464 45.7 -84.6-107.5-175.2 62.1 69.2 45.0 107 109 A M G > S+ 0 0 11 118,-0.4 3,-0.9 1,-0.3 119,-0.1 0.872 128.5 57.2 -59.1 -38.1 59.7 68.5 47.9 108 110 A N G 3 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.256 105.4 54.6 -79.6 15.2 59.9 72.2 48.9 109 111 A Q G < + 0 0 92 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.119 65.1 111.0-139.3 34.4 58.7 73.2 45.5 110 112 A L X + 0 0 1 -3,-0.9 3,-2.7 2,-0.1 -2,-0.1 0.673 45.8 119.9 -82.4 -17.5 55.4 71.2 45.0 111 113 A R T 3 S+ 0 0 146 1,-0.3 41,-0.2 41,-0.1 3,-0.1 -0.253 84.3 9.3 -53.1 122.6 53.4 74.5 45.1 112 114 A G T 3 S+ 0 0 37 39,-3.0 -1,-0.3 1,-0.3 40,-0.2 0.491 102.2 125.2 83.8 2.9 51.6 74.9 41.9 113 115 A K < - 0 0 56 -3,-2.7 40,-2.2 38,-0.2 2,-0.6 -0.505 65.6-110.1 -91.8 163.5 52.4 71.4 40.6 114 116 A K - 0 0 69 38,-0.2 85,-2.8 39,-0.2 86,-1.3 -0.851 38.8-158.6 -95.6 124.0 49.9 68.8 39.5 115 117 A S E -jk 155 200D 0 39,-0.9 41,-1.8 -2,-0.6 2,-0.5 -0.716 17.7-155.2-110.0 155.8 49.6 65.8 41.8 116 118 A c E -jk 156 201D 0 84,-1.6 86,-2.3 -2,-0.3 2,-0.3 -0.967 17.9-176.3-127.3 110.0 48.4 62.2 41.7 117 119 A H E - 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0 0 0 11,-2.5 3,-2.0 -2,-0.5 -39,-0.1 -0.767 31.0-144.7-124.7 81.5 42.5 62.7 44.7 158 160 A P T 3 S+ 0 0 0 0, 0.0 -38,-3.0 0, 0.0 18,-0.2 -0.098 82.7 25.8 -48.5 142.7 40.0 59.7 44.3 159 161 A f T 3 S+ 0 0 28 16,-2.8 18,-0.1 1,-0.3 17,-0.1 0.282 94.7 124.9 82.9 -6.5 37.1 59.7 46.8 160 162 A A S < S- 0 0 7 -3,-2.0 2,-0.7 8,-0.2 -1,-0.3 -0.392 72.2-101.6 -79.3 159.0 37.3 63.4 47.2 161 163 A D > - 0 0 70 1,-0.1 4,-1.9 -3,-0.1 7,-0.2 -0.748 31.8-172.3 -86.3 116.0 34.3 65.7 46.6 162 164 A G T 4 S+ 0 0 23 -2,-0.7 -1,-0.1 12,-0.3 7,-0.1 0.551 80.3 59.7 -83.5 -11.6 34.6 67.3 43.1 163 165 A T T 4 S+ 0 0 117 2,-0.2 -1,-0.2 11,-0.1 -2,-0.0 0.818 117.7 31.4 -84.3 -30.5 31.6 69.7 43.5 164 166 A D T 4 S+ 0 0 97 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.825 137.6 23.8 -91.1 -41.5 33.2 71.4 46.6 165 167 A F S >< S+ 0 0 18 -4,-1.9 3,-1.1 1,-0.1 -1,-0.2 -0.677 72.9 172.3-128.2 74.0 36.9 71.0 45.6 166 168 A P G > S+ 0 0 68 0, 0.0 3,-1.3 0, 0.0 8,-0.2 0.757 70.9 60.6 -53.7 -35.0 36.8 70.6 41.8 167 169 A Q G > S+ 0 0 63 1,-0.3 -12,-2.9 2,-0.2 3,-1.6 0.749 88.1 69.4 -71.4 -25.2 40.5 70.8 41.3 168 170 A L G < S+ 0 0 0 -3,-1.1 -11,-2.5 1,-0.3 -1,-0.3 0.583 109.7 39.8 -67.4 -5.5 41.2 67.7 43.4 169 171 A g G < S+ 0 0 6 -3,-1.3 3,-0.3 -13,-0.2 6,-0.3 0.195 81.1 106.7-124.6 10.2 39.5 66.0 40.4 170 172 A Q S < S+ 0 0 101 -3,-1.6 -14,-0.2 -15,-0.3 -2,-0.1 0.861 88.6 41.4 -59.4 -35.1 41.0 68.0 37.5 171 173 A L S S+ 0 0 22 -16,-2.4 -1,-0.2 -4,-0.4 -15,-0.2 0.641 132.5 23.3 -87.4 -16.7 43.2 65.0 36.6 172 174 A e S > S- 0 0 6 -17,-0.6 3,-2.8 -3,-0.3 4,-0.3 -0.538 92.2-135.3-149.4 77.0 40.5 62.4 37.1 173 175 A P T 3 S+ 0 0 115 0, 0.0 3,-0.4 0, 0.0 -3,-0.1 0.074 88.5 15.3 -37.0 126.3 37.0 64.1 36.8 174 176 A G T 3 S- 0 0 60 1,-0.2 -12,-0.3 -8,-0.2 -15,-0.1 0.171 101.0-114.7 91.0 -17.6 34.7 63.1 39.5 175 177 A g < - 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