==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON TRANSPORT 24-MAR-98 1A8E . COMPND 2 MOLECULE: SERUM TRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.T.A.MACGILLIVRAY,S.A.MOORE,J.CHEN,B.F.ANDERSON,H.BAKER, . 329 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.5 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 . 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 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 . 5 1.5 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 1 1 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 0 1 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 2 3 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 . 0 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 91 0, 0.0 2,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 138.3 32.2 27.1 60.9 2 4 A K E -a 33 0A 142 30,-0.7 32,-1.6 258,-0.1 2,-0.3 -0.317 360.0 -57.9 118.7 175.2 30.2 30.0 59.4 3 5 A T E -a 34 0A 51 30,-0.2 2,-0.5 -2,-0.1 32,-0.2 -0.556 26.0-159.8 -93.2 135.5 30.3 32.8 57.0 4 6 A V E -a 35 0A 0 30,-3.0 32,-2.5 -2,-0.3 2,-1.0 -0.947 17.2-143.9-109.5 121.1 32.6 35.7 56.7 5 7 A R E -a 36 0A 54 -2,-0.5 51,-2.9 30,-0.2 52,-1.7 -0.796 18.8-157.7 -89.4 102.1 31.1 38.6 54.7 6 8 A W E -ab 37 57A 2 30,-2.8 32,-3.3 -2,-1.0 2,-0.8 -0.660 11.9-132.5 -83.4 136.3 34.0 40.0 52.8 7 9 A a E -a 38 0A 0 50,-2.8 2,-0.4 -2,-0.3 52,-0.3 -0.812 22.6-165.7 -94.0 112.9 33.7 43.6 51.7 8 10 A A E -a 39 0A 0 30,-2.7 32,-2.9 -2,-0.8 2,-0.9 -0.797 15.0-137.2 -97.8 134.2 34.8 43.9 48.0 9 11 A V E > -a 40 0A 16 -2,-0.4 4,-0.7 30,-0.2 170,-0.4 -0.815 63.1 -38.4 -98.2 104.8 35.4 47.4 46.6 10 12 A S H > S- 0 0 6 30,-2.9 4,-2.2 -2,-0.9 5,-0.1 -0.009 93.2 -45.8 72.1-178.0 33.9 47.6 43.1 11 13 A E H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.788 127.7 49.2 -55.8 -46.8 33.7 45.1 40.2 12 14 A H H > S+ 0 0 68 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.929 115.3 43.4 -67.5 -44.3 37.2 43.6 40.0 13 15 A E H X S+ 0 0 26 -4,-0.7 4,-2.9 1,-0.2 -2,-0.2 0.897 112.1 56.0 -65.8 -35.6 37.4 42.9 43.7 14 16 A A H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 107.1 49.4 -62.8 -40.1 33.9 41.6 43.5 15 17 A T H X S+ 0 0 45 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.940 112.5 46.1 -66.6 -44.5 35.0 39.1 40.8 16 18 A K H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.894 109.8 56.0 -66.2 -35.9 38.0 37.9 42.7 17 19 A b H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.914 106.0 49.8 -60.9 -44.4 35.8 37.6 45.8 18 20 A Q H X S+ 0 0 93 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.917 111.9 47.4 -64.9 -36.8 33.4 35.3 44.1 19 21 A S H X S+ 0 0 34 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.881 110.2 53.5 -69.6 -34.2 36.1 33.1 42.8 20 22 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 109.6 49.3 -64.5 -42.8 37.6 33.1 46.3 21 23 A R H X S+ 0 0 75 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.938 113.2 46.1 -61.7 -47.8 34.2 31.9 47.6 22 24 A D H X S+ 0 0 71 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.901 111.6 48.7 -65.8 -41.7 33.9 29.2 45.0 23 25 A H H X S+ 0 0 53 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.894 109.6 51.6 -68.7 -36.5 37.4 27.8 45.4 24 26 A M H >X S+ 0 0 3 -4,-2.1 4,-3.2 -5,-0.2 3,-0.7 0.845 104.7 59.2 -67.6 -30.8 37.2 27.6 49.2 25 27 A K H 3< S+ 0 0 116 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.918 102.9 52.9 -64.7 -37.6 33.9 25.7 48.9 26 28 A S H 3< S+ 0 0 89 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.642 121.4 28.4 -73.5 -15.7 35.7 23.0 46.9 27 29 A V H << S+ 0 0 54 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.699 103.9 79.8-116.3 -29.6 38.4 22.5 49.5 28 30 A I S < S- 0 0 18 -4,-3.2 2,-0.1 -5,-0.2 6,-0.0 -0.570 79.8-121.7 -81.5 145.3 36.8 23.4 52.8 29 31 A P > - 0 0 69 0, 0.0 3,-2.6 0, 0.0 -2,-0.1 -0.368 32.5 -97.1 -76.4 167.4 34.6 20.8 54.4 30 32 A S T 3 S+ 0 0 119 1,-0.3 -2,-0.1 -2,-0.1 4,-0.0 0.757 126.7 54.7 -55.5 -28.7 31.0 21.5 55.2 31 33 A D T 3 S+ 0 0 102 -30,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.338 93.0 92.8 -91.5 8.9 32.1 22.3 58.7 32 34 A G S < S- 0 0 7 -3,-2.6 -30,-0.7 1,-0.1 2,-0.1 -0.475 85.9 -84.3 -97.4 169.9 34.7 24.9 57.7 33 35 A P E -a 2 0A 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.367 45.6-159.4 -70.6 149.4 34.3 28.7 57.4 34 36 A S E -a 3 0A 40 -32,-1.6 -30,-3.0 -2,-0.1 2,-0.4 -0.863 9.5-125.0-130.9 166.1 32.9 30.2 54.2 35 37 A V E -a 4 0A 6 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.886 16.0-174.7-115.3 142.7 33.0 33.5 52.4 36 38 A A E -a 5 0A 34 -32,-2.5 -30,-2.8 -2,-0.4 2,-0.5 -0.949 24.9-128.5-128.9 150.1 30.2 35.6 51.1 37 39 A b E -a 6 0A 43 -2,-0.4 2,-0.6 -32,-0.2 -30,-0.2 -0.894 18.5-172.4-111.5 128.9 30.8 38.7 49.1 38 40 A V E -a 7 0A 33 -32,-3.3 -30,-2.7 -2,-0.5 2,-0.5 -0.945 15.7-150.2-117.1 115.9 29.5 42.2 49.7 39 41 A K E +a 8 0A 108 -2,-0.6 2,-0.3 -32,-0.2 -30,-0.2 -0.734 20.7 168.7 -91.3 129.7 30.3 44.8 47.0 40 42 A K E -a 9 0A 70 -32,-2.9 -30,-2.9 -2,-0.5 -26,-0.1 -0.819 39.3-121.5-128.8 170.3 30.6 48.5 47.8 41 43 A A S S+ 0 0 65 -2,-0.3 2,-0.3 -32,-0.2 136,-0.1 0.686 87.7 10.2 -86.4 -22.5 31.9 51.4 45.9 42 44 A S S > S- 0 0 18 -34,-0.1 4,-1.2 1,-0.1 3,-0.3 -0.963 73.8-106.7-151.6 167.4 34.7 52.5 48.1 43 45 A Y H > S+ 0 0 40 134,-0.4 4,-2.4 -2,-0.3 5,-0.1 0.837 118.4 59.8 -65.2 -32.8 36.7 51.5 51.1 44 46 A L H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 103.1 50.1 -65.9 -33.6 34.9 54.1 53.2 45 47 A D H > S+ 0 0 68 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.797 108.9 52.9 -72.1 -30.0 31.6 52.3 52.4 46 48 A a H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.894 107.0 52.1 -71.2 -38.1 33.2 49.0 53.5 47 49 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.947 113.5 43.4 -62.8 -42.7 34.2 50.7 56.8 48 50 A R H X S+ 0 0 127 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 111.3 55.2 -68.8 -42.3 30.6 51.8 57.5 49 51 A A H <>S+ 0 0 5 -4,-2.3 5,-3.8 1,-0.2 6,-1.2 0.842 108.0 47.5 -59.5 -37.1 29.1 48.5 56.4 50 52 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.5 4,-0.2 -1,-0.2 0.921 112.3 49.9 -72.1 -40.8 31.3 46.6 58.9 51 53 A A H 3<5S+ 0 0 42 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.7 49.3 -64.3 -34.8 30.3 49.0 61.6 52 54 A A T 3<5S- 0 0 65 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.314 117.6-111.5 -88.0 7.0 26.7 48.6 60.7 53 55 A N T < 5S+ 0 0 94 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.805 87.9 116.6 68.6 31.3 26.8 44.8 60.7 54 56 A E S > - 0 0 4 -2,-0.4 4,-1.2 186,-0.2 3,-0.9 -0.404 45.2-109.2 -71.1 147.3 46.3 50.2 54.1 62 64 A A H 3> S+ 0 0 0 183,-0.5 4,-1.2 1,-0.3 -1,-0.1 0.808 117.1 58.5 -54.6 -35.1 47.7 51.2 57.5 63 65 A G H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.886 109.1 46.2 -64.1 -32.2 46.9 54.9 57.0 64 66 A L H <> S+ 0 0 7 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.753 100.3 69.1 -81.4 -19.6 43.2 54.0 56.5 65 67 A V H X S+ 0 0 2 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.876 96.4 54.0 -63.4 -33.1 43.5 51.7 59.5 66 68 A Y H >X S+ 0 0 32 -4,-1.2 4,-1.1 -3,-0.3 3,-0.5 0.944 108.6 47.0 -64.8 -48.5 43.7 54.8 61.7 67 69 A D H 3< S+ 0 0 37 -4,-1.0 3,-0.5 1,-0.2 6,-0.2 0.884 108.7 55.7 -61.5 -38.8 40.6 56.3 60.2 68 70 A A H 3< S+ 0 0 0 -4,-2.2 7,-2.6 1,-0.2 -1,-0.2 0.772 102.8 56.7 -66.8 -27.2 38.7 53.0 60.7 69 71 A Y H << S+ 0 0 64 -4,-1.3 5,-0.3 -3,-0.5 -1,-0.2 0.823 89.3 96.8 -73.0 -34.2 39.6 53.0 64.4 70 72 A L S >X S- 0 0 57 -4,-1.1 4,-1.7 -3,-0.5 3,-1.7 -0.136 80.5 -62.2 -59.8 151.0 38.0 56.5 64.9 71 73 A A T 34 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.432 115.7 27.1 -73.1 149.0 34.4 56.8 66.2 72 74 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.923 128.2 45.7 -93.9 20.7 31.9 56.1 65.4 73 75 A N T <4 + 0 0 22 -3,-1.7 -2,-0.2 -6,-0.2 -4,-0.1 0.955 66.9 178.4 -83.2 -48.6 33.4 53.2 63.5 74 76 A N < + 0 0 78 -4,-1.7 179,-0.6 -5,-0.3 -5,-0.3 0.836 14.5 166.7 47.9 48.5 35.9 51.7 66.1 75 77 A L E -D 252 0B 5 -7,-2.6 234,-0.3 -5,-0.2 177,-0.2 -0.511 20.9-148.7 -84.9 158.0 37.1 48.9 64.0 76 78 A K E -D 251 0B 33 175,-3.0 175,-2.4 -2,-0.2 2,-0.3 -0.940 18.8-106.3-129.1 155.3 40.3 47.1 65.1 77 79 A P E +D 250 0B 4 0, 0.0 173,-0.3 0, 0.0 230,-0.2 -0.632 40.1 164.7 -78.8 133.7 43.0 45.3 63.2 78 80 A V E + 0 0 13 171,-3.2 225,-2.6 1,-0.4 2,-0.4 0.711 61.0 25.5-120.8 -31.3 42.9 41.5 63.4 79 81 A V E -DE 249 302B 1 170,-1.1 170,-3.1 223,-0.2 -1,-0.4 -1.000 66.6-152.8-137.9 136.4 45.1 40.0 60.7 80 82 A A E -DE 248 301B 6 221,-3.3 221,-2.4 -2,-0.4 168,-0.2 -0.858 13.8-128.2-111.1 147.5 48.2 41.5 59.1 81 83 A E E - E 0 300B 1 166,-2.5 2,-0.3 -2,-0.4 219,-0.2 -0.540 24.0-156.5 -79.3 157.5 49.7 40.9 55.7 82 84 A F E - E 0 299B 16 217,-2.0 216,-3.3 -2,-0.2 217,-1.2 -0.975 6.9-164.7-132.3 151.5 53.4 40.0 55.6 83 85 A Y B +F 90 0C 4 7,-2.4 7,-2.4 -2,-0.3 2,-1.2 -0.559 53.4 51.4-121.0-175.7 55.8 40.5 52.7 84 86 A G S S- 0 0 36 212,-0.5 2,-0.3 5,-0.2 3,-0.1 -0.668 106.4 -38.9 89.9 -90.3 59.2 39.3 51.7 85 87 A S - 0 0 28 -2,-1.2 213,-0.1 3,-0.4 5,-0.1 -0.955 49.6-107.9-164.2 165.4 59.3 35.5 52.0 86 88 A K S S+ 0 0 115 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.827 119.4 61.0 -73.7 -23.5 57.9 33.0 54.4 87 89 A E S S+ 0 0 162 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.897 123.5 13.3 -69.3 -40.5 61.4 32.5 55.6 88 90 A D S S- 0 0 110 -3,-0.1 -3,-0.4 -5,-0.0 -1,-0.3 -0.710 84.2-159.7-141.6 81.3 61.8 36.2 56.8 89 91 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.395 3.2-151.8 -64.9 134.0 58.4 37.8 56.9 90 92 A Q B -F 83 0C 36 -7,-2.4 -7,-2.4 -2,-0.1 -2,-0.0 -0.946 12.3-166.4-114.2 126.6 58.3 41.5 56.9 91 93 A T S S+ 0 0 69 -2,-0.5 155,-1.5 -9,-0.2 2,-0.3 -0.019 73.3 46.8-101.6 37.5 55.6 43.4 58.5 92 94 A F E -G 245 0D 56 153,-0.3 2,-0.3 -9,-0.0 -9,-0.2 -0.955 64.0-157.0-157.9 171.9 56.4 46.6 56.9 93 95 A Y E -G 244 0D 1 151,-2.5 151,-2.9 -2,-0.3 2,-0.5 -0.916 25.1 -97.9-150.5 172.3 57.3 48.0 53.6 94 96 A Y E -G 243 0D 20 -2,-0.3 111,-1.7 149,-0.2 2,-0.5 -0.859 19.7-144.9-102.8 131.1 59.1 51.0 52.0 95 97 A A E +GH 242 204D 0 147,-2.6 146,-3.0 -2,-0.5 147,-1.0 -0.763 30.7 177.9 -86.5 124.4 57.4 54.2 50.6 96 98 A V E - H 0 203D 3 107,-2.7 107,-1.3 -2,-0.5 2,-0.5 -0.827 30.0-132.6-125.8 167.3 59.4 55.4 47.6 97 99 A A E - H 0 202D 0 127,-0.4 127,-2.1 -2,-0.3 2,-0.4 -0.966 26.4-160.2-122.4 109.4 59.1 58.2 45.1 98 100 A V E +IH 223 201D 2 103,-2.7 103,-2.4 -2,-0.5 2,-0.3 -0.758 16.9 164.7 -97.1 138.5 59.5 57.0 41.5 99 101 A V E -IH 222 200D 0 123,-2.8 123,-2.5 -2,-0.4 2,-0.2 -0.889 38.8 -90.9-141.9 169.5 60.3 59.3 38.6 100 102 A K E > -I 221 0D 71 99,-0.6 3,-1.4 -2,-0.3 121,-0.3 -0.588 51.4 -90.4 -87.6 150.8 61.6 58.9 35.1 101 103 A K T 3 S+ 0 0 91 119,-3.4 -1,-0.1 1,-0.2 119,-0.1 -0.285 105.3 4.5 -59.0 134.4 65.3 59.0 34.2 102 104 A D T 3 S+ 0 0 135 1,-0.1 -1,-0.2 -3,-0.1 119,-0.0 0.712 80.9 133.1 63.1 26.0 66.8 62.4 33.4 103 105 A S < - 0 0 51 -3,-1.4 -2,-0.1 2,-0.1 -1,-0.1 0.687 64.1-134.6 -78.7 -12.6 63.7 64.3 34.2 104 106 A G + 0 0 61 -4,-0.2 2,-0.3 1,-0.2 -3,-0.1 0.903 57.2 104.4 66.4 55.1 66.0 66.5 36.2 105 107 A F - 0 0 10 5,-0.0 2,-0.2 124,-0.0 -1,-0.2 -0.975 46.4-148.8-157.9 148.4 64.6 67.4 39.6 106 108 A Q > - 0 0 40 -2,-0.3 3,-2.2 118,-0.1 120,-0.1 -0.552 43.5 -87.7-106.2 179.3 65.2 66.4 43.1 107 109 A M G > S+ 0 0 14 118,-0.4 3,-0.7 1,-0.3 119,-0.1 0.739 125.9 56.9 -60.2 -25.7 62.9 66.2 46.1 108 110 A N G 3 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.333 102.7 57.7 -88.6 5.1 63.5 69.8 46.9 109 111 A Q G < + 0 0 90 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 -0.066 68.3 111.6-124.6 35.3 62.3 70.8 43.5 110 112 A L X + 0 0 1 -3,-0.7 3,-2.5 2,-0.1 -1,-0.1 0.715 41.0 113.6 -81.2 -24.9 58.8 69.3 43.5 111 113 A R T 3 S+ 0 0 135 1,-0.3 41,-0.2 -3,-0.1 3,-0.1 -0.245 86.4 14.6 -52.7 126.7 56.8 72.5 43.5 112 114 A G T 3 S+ 0 0 36 39,-3.3 -1,-0.3 1,-0.3 40,-0.2 0.390 100.0 118.7 88.0 -4.3 55.0 72.9 40.2 113 115 A K < - 0 0 58 -3,-2.5 40,-2.4 38,-0.2 2,-0.5 -0.396 68.4-107.6 -87.4 172.0 55.4 69.3 39.2 114 116 A K - 0 0 58 38,-0.2 85,-3.1 39,-0.2 86,-1.5 -0.882 34.7-154.4-105.0 132.0 52.6 66.8 38.6 115 117 A S E -jk 155 200D 0 39,-1.5 41,-1.6 -2,-0.5 2,-0.5 -0.843 14.1-157.6-112.9 143.6 52.0 64.0 41.2 116 118 A c E -jk 156 201D 0 84,-2.7 86,-2.7 -2,-0.4 2,-0.3 -0.969 20.1-174.2-115.9 118.9 50.4 60.6 41.1 117 119 A H E - 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0 0 5 -3,-2.7 -16,-2.7 -6,-0.2 -1,-0.2 0.898 38.2-154.3 55.4 43.2 39.3 61.0 41.7 176 178 A G - 0 0 31 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.231 8.7-144.5 -53.9 133.6 37.6 57.5 41.6 177 179 A f S S+ 0 0 23 -19,-0.2 -134,-0.4 -136,-0.1 2,-0.3 -0.306 71.9 46.5-100.5 46.4 38.2 55.5 44.8 178 180 A S S > S- 0 0 8 -2,-0.3 3,-2.0 -136,-0.1 6,-0.2 -0.953 102.9 -77.0-167.2 176.6 38.4 52.0 43.3 179 181 A T T 3 S+ 0 0 36 -170,-0.4 5,-0.1 -2,-0.3 -169,-0.1 0.541 113.4 80.7 -67.7 -4.4 40.1 50.1 40.5 180 182 A L T 3 S+ 0 0 114 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.765 83.1 72.8 -70.7 -21.8 37.5 51.5 38.0 181 183 A N S X S- 0 0 23 -3,-2.0 3,-2.0 1,-0.1 7,-0.1 -0.842 83.9-150.6 -90.8 118.5 39.9 54.5 38.1 182 184 A Q T 3 S+ 0 0 107 -2,-0.7 9,-0.2 1,-0.3 -1,-0.1 0.647 93.5 53.3 -69.5 -12.6 42.9 53.3 36.2 183 185 A Y T 3 S+ 0 0 19 8,-0.1 -1,-0.3 7,-0.1 2,-0.3 0.187 84.4 116.7-106.6 15.6 45.2 55.5 38.2 184 186 A F <> - 0 0 44 -3,-2.0 4,-1.0 -6,-0.2 -65,-0.2 -0.592 66.1 -0.9 -82.2 146.4 44.0 54.2 41.5 185 187 A G H > S- 0 0 6 -67,-2.4 4,-2.6 -2,-0.3 5,-0.2 -0.192 107.1 -42.9 79.0-173.7 46.4 52.3 44.0 186 188 A Y H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.961 140.1 38.0 -58.9 -54.8 50.0 51.3 43.7 187 189 A S H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 116.4 52.6 -70.4 -26.4 49.9 50.1 40.1 188 190 A G H X S+ 0 0 7 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.894 108.4 50.6 -75.4 -37.1 47.5 52.9 39.1 189 191 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.898 111.1 49.2 -69.6 -33.7 49.8 55.5 40.5 190 192 A F H X S+ 0 0 4 -4,-2.1 4,-2.8 -5,-0.2 3,-0.5 0.920 108.4 53.0 -69.2 -39.4 52.7 54.0 38.6 191 193 A K H X S+ 0 0 73 -4,-2.1 4,-3.0 1,-0.2 6,-0.3 0.877 102.3 60.2 -62.3 -34.1 50.6 53.9 35.4 192 194 A c H <>S+ 0 0 0 -4,-2.1 6,-1.9 2,-0.2 5,-1.6 0.869 111.7 39.3 -61.8 -34.7 50.0 57.6 35.8 193 195 A L H ><5S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.5 -2,-0.2 0.949 115.4 50.2 -78.9 -52.5 53.7 58.2 35.7 194 196 A K H 3<5S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.874 108.5 53.2 -56.3 -38.4 54.5 55.7 33.0 195 197 A D T 3<5S- 0 0 76 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.683 116.3-116.5 -72.3 -18.8 51.7 57.2 30.7 196 198 A G T < 5S+ 0 0 48 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.591 83.6 118.9 94.5 12.6 53.3 60.7 31.2 197 199 A A S -H 95 0D 3 -109,-0.2 3,-1.2 -2,-0.2 4,-0.5 -0.659 44.4-102.0-105.9 167.0 56.0 51.2 47.4 205 207 A H T 3 S+ 0 0 20 -111,-1.7 4,-0.4 1,-0.3 3,-0.2 0.781 119.3 48.4 -61.1 -27.6 59.4 49.6 46.7 206 208 A S T 3> S+ 0 0 17 -112,-0.2 4,-1.7 1,-0.2 3,-0.4 0.671 85.1 91.8 -87.2 -14.1 58.0 46.6 44.9 207 209 A T H <> S+ 0 0 0 -3,-1.2 4,-0.8 1,-0.2 3,-0.3 0.877 86.5 46.7 -48.8 -48.7 55.6 48.5 42.6 208 210 A I H >> S+ 0 0 5 -4,-0.5 4,-3.2 1,-0.2 3,-0.7 0.884 110.9 52.1 -65.6 -33.8 57.9 48.9 39.7 209 211 A F H 34 S+ 0 0 71 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.801 107.8 53.0 -73.2 -25.1 59.0 45.3 39.8 210 212 A E H 3< S+ 0 0 41 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.648 119.3 35.6 -80.2 -17.1 55.4 44.2 39.7 211 213 A N H << S+ 0 0 50 -4,-0.8 2,-0.6 -3,-0.7 -2,-0.2 0.730 114.7 47.9-109.4 -29.4 54.9 46.3 36.6 212 214 A L < - 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