==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 04-OCT-99 1D4N . COMPND 2 MOLECULE: TRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-W.YANG,R.T.A.MACGILLIVRAY,J.CHEN,Y.LUO,Y.WANG,G.D.BRAYER, . 329 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 65.3 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 . 36 10.9 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 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 . 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 3 3 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 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 89 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 136.6 32.3 27.1 61.0 2 4 A K E -a 33 0A 142 30,-0.9 32,-0.6 258,-0.1 2,-0.1 -0.162 360.0 -45.2 110.5 160.2 30.2 29.9 59.5 3 5 A T E -a 34 0A 48 30,-0.2 2,-0.6 -2,-0.1 32,-0.2 -0.290 26.6-166.3 -68.4 133.4 30.2 32.9 57.2 4 6 A V E -a 35 0A 0 30,-2.2 32,-2.3 -2,-0.1 2,-1.0 -0.968 20.8-143.9-112.1 117.8 32.6 35.8 57.0 5 7 A R E -a 36 0A 55 -2,-0.6 51,-3.2 30,-0.2 52,-1.7 -0.776 18.6-157.4 -87.9 103.1 31.1 38.6 54.9 6 8 A W E -ab 37 57A 2 30,-3.0 32,-3.1 -2,-1.0 2,-0.8 -0.677 11.6-131.6 -84.4 135.3 34.0 40.0 53.0 7 9 A a E -a 38 0A 0 50,-2.7 2,-0.4 -2,-0.4 52,-0.2 -0.788 21.9-166.3 -92.6 108.5 33.7 43.6 51.7 8 10 A A E -a 39 0A 0 30,-2.5 32,-2.5 -2,-0.8 2,-0.9 -0.791 15.2-138.4 -93.3 130.5 34.8 43.8 48.1 9 11 A V E > -a 40 0A 13 -2,-0.4 4,-0.6 30,-0.2 170,-0.4 -0.808 61.4 -38.2 -96.3 103.3 35.3 47.3 46.7 10 12 A S H > S- 0 0 7 30,-2.4 4,-2.4 -2,-0.9 5,-0.2 -0.021 93.2 -42.7 76.9-178.4 33.9 47.5 43.2 11 13 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.835 127.3 45.2 -49.9 -56.8 33.7 45.1 40.2 12 14 A H H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 117.2 45.0 -62.3 -45.1 37.2 43.5 40.0 13 15 A E H X S+ 0 0 29 -4,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.911 111.2 54.7 -65.3 -42.2 37.4 42.8 43.7 14 16 A A H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.895 109.2 48.2 -58.3 -40.6 33.8 41.5 43.6 15 17 A T H X S+ 0 0 46 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.940 112.8 46.5 -65.9 -47.4 34.8 39.0 40.9 16 18 A K H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.896 111.5 53.8 -62.8 -38.0 37.9 37.8 42.7 17 19 A b H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.929 107.1 49.3 -62.4 -46.0 35.9 37.5 45.9 18 20 A Q H X S+ 0 0 90 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.859 111.3 50.0 -63.7 -31.4 33.3 35.3 44.2 19 21 A S H X S+ 0 0 31 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.894 109.8 52.2 -69.7 -38.6 36.1 33.2 42.9 20 22 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.944 109.3 49.2 -59.1 -52.3 37.5 33.1 46.5 21 23 A R H X S+ 0 0 70 -4,-2.9 4,-1.7 1,-0.2 14,-0.2 0.948 113.2 47.2 -53.0 -52.9 34.2 31.9 47.8 22 24 A D H X S+ 0 0 68 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.886 113.1 44.7 -61.6 -44.5 33.9 29.2 45.2 23 25 A H H X S+ 0 0 52 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.842 110.8 54.7 -72.4 -29.4 37.4 27.7 45.5 24 26 A M H X S+ 0 0 3 -4,-2.2 4,-3.0 -5,-0.2 3,-0.4 0.867 105.8 54.8 -68.9 -34.1 37.2 27.7 49.3 25 27 A K H < S+ 0 0 121 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.893 104.0 54.1 -64.4 -40.8 34.0 25.7 49.0 26 28 A S H < S+ 0 0 90 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.712 122.5 26.5 -67.9 -22.6 35.7 23.0 46.9 27 29 A V H < S+ 0 0 54 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.775 104.5 79.7-109.3 -39.2 38.4 22.5 49.5 28 30 A I S < S- 0 0 14 -4,-3.0 4,-0.0 -5,-0.2 6,-0.0 -0.523 81.9-117.7 -76.4 135.0 37.0 23.4 52.9 29 31 A P > - 0 0 72 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.102 32.4 -97.2 -64.0 168.7 34.7 20.8 54.5 30 32 A S T 3 S+ 0 0 124 1,-0.3 -2,-0.1 -29,-0.1 4,-0.1 0.740 126.5 52.8 -59.5 -24.1 31.0 21.5 55.2 31 33 A D T 3 S+ 0 0 98 -30,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.197 94.1 94.3 -97.4 13.7 32.0 22.4 58.8 32 34 A G S < S- 0 0 8 -3,-2.0 -30,-0.9 -31,-0.1 2,-0.2 -0.477 87.6 -76.5 -99.3 175.7 34.7 24.9 57.8 33 35 A P E -a 2 0A 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.471 47.7-157.4 -74.5 140.3 34.5 28.7 57.4 34 36 A S E -a 3 0A 42 -32,-0.6 -30,-2.2 -2,-0.2 2,-0.4 -0.809 9.1-126.3-117.2 158.8 32.8 30.0 54.2 35 37 A V E -a 4 0A 7 -2,-0.3 2,-0.4 -14,-0.2 -30,-0.2 -0.847 18.0-174.9-107.9 138.7 33.0 33.3 52.4 36 38 A A E -a 5 0A 33 -32,-2.3 -30,-3.0 -2,-0.4 2,-0.5 -0.962 21.6-133.7-125.5 145.5 30.2 35.7 51.3 37 39 A b E -a 6 0A 42 -2,-0.4 2,-0.5 -32,-0.2 -30,-0.2 -0.894 17.4-173.4-110.7 127.9 30.9 38.7 49.2 38 40 A V E -a 7 0A 32 -32,-3.1 -30,-2.5 -2,-0.5 2,-0.5 -0.964 16.1-149.3-118.3 116.2 29.5 42.2 49.8 39 41 A K E +a 8 0A 108 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.749 21.2 169.5 -91.8 129.3 30.2 44.8 47.1 40 42 A K E -a 9 0A 69 -32,-2.5 -30,-2.4 -2,-0.5 -26,-0.1 -0.865 39.9-121.8-129.7 162.8 30.6 48.5 48.0 41 43 A A S S+ 0 0 66 -2,-0.3 2,-0.3 -32,-0.2 136,-0.1 0.709 88.8 8.0 -79.5 -23.8 31.8 51.5 45.9 42 44 A S S > S- 0 0 20 -34,-0.1 4,-1.2 1,-0.1 3,-0.4 -0.949 76.5-102.2-150.7 170.2 34.7 52.5 48.2 43 45 A Y H > S+ 0 0 39 134,-0.4 4,-2.3 -2,-0.3 5,-0.1 0.830 119.6 60.5 -63.7 -31.1 36.7 51.4 51.2 44 46 A L H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 101.0 50.4 -66.1 -36.4 34.7 54.0 53.2 45 47 A D H > S+ 0 0 68 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.811 110.7 53.1 -70.0 -29.1 31.4 52.2 52.4 46 48 A a H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.919 106.7 49.0 -71.0 -45.2 33.1 49.1 53.6 47 49 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.941 116.0 45.3 -59.2 -45.8 34.2 50.6 57.0 48 50 A R H X S+ 0 0 125 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 110.8 53.4 -62.8 -45.2 30.6 51.8 57.4 49 51 A A H <>S+ 0 0 5 -4,-2.5 5,-3.6 2,-0.2 6,-0.9 0.900 109.9 47.1 -57.2 -45.4 29.1 48.5 56.4 50 52 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.6 4,-0.2 -1,-0.2 0.932 112.5 48.9 -64.1 -46.9 31.2 46.6 59.0 51 53 A A H 3<5S+ 0 0 39 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.908 111.9 50.1 -59.1 -41.7 30.3 49.0 61.7 52 54 A A T 3<5S- 0 0 68 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.338 119.0-110.6 -81.8 8.4 26.6 48.7 60.8 53 55 A N T < 5S+ 0 0 94 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.822 88.3 116.3 67.3 33.2 26.8 44.9 60.8 54 56 A E S > - 0 0 4 -2,-0.3 3,-1.3 186,-0.2 4,-1.2 -0.466 46.3-107.3 -67.4 147.7 46.3 50.2 54.1 62 64 A A H 3> S+ 0 0 0 183,-0.5 4,-1.1 1,-0.3 3,-0.2 0.805 118.3 57.5 -49.5 -40.3 47.7 51.2 57.5 63 65 A G H 3> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.840 108.8 46.0 -61.5 -34.1 46.8 54.9 57.1 64 66 A L H <> S+ 0 0 7 -3,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.705 100.6 68.5 -80.7 -20.4 43.2 53.9 56.5 65 67 A V H X S+ 0 0 2 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.854 97.1 54.8 -64.2 -34.0 43.4 51.6 59.6 66 68 A Y H X S+ 0 0 32 -4,-1.1 4,-1.2 1,-0.2 3,-0.4 0.942 108.6 45.4 -63.9 -49.6 43.7 54.8 61.7 67 69 A D H < S+ 0 0 37 -4,-0.9 6,-0.2 1,-0.2 7,-0.2 0.840 109.6 55.6 -62.7 -36.8 40.5 56.3 60.3 68 70 A A H < S+ 0 0 0 -4,-2.0 7,-2.2 1,-0.2 -1,-0.2 0.791 104.1 55.6 -67.0 -28.4 38.6 53.0 60.7 69 71 A Y H < S+ 0 0 61 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.836 90.0 95.2 -72.6 -34.8 39.6 53.1 64.4 70 72 A L S >X S- 0 0 58 -4,-1.2 4,-1.7 3,-0.1 3,-1.2 -0.180 83.3 -63.4 -60.0 149.2 38.0 56.5 64.9 71 73 A A T 34 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.385 114.0 30.9 -68.4 154.2 34.5 56.8 66.2 72 74 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.973 128.3 42.8 -86.8 9.5 31.8 56.1 65.4 73 75 A N T <4 + 0 0 23 -3,-1.2 -2,-0.2 -6,-0.2 -4,-0.1 0.944 69.5 179.3 -77.6 -51.0 33.2 53.1 63.5 74 76 A N < + 0 0 80 -4,-1.7 179,-0.4 -7,-0.2 -5,-0.3 0.906 16.1 167.4 45.7 58.5 35.8 51.8 66.1 75 77 A L - 0 0 5 -7,-2.2 234,-0.3 -5,-0.2 177,-0.2 -0.627 20.4-145.6 -95.5 158.7 37.1 48.9 64.1 76 78 A K E -D 251 0B 32 175,-2.8 175,-2.4 -2,-0.2 2,-0.3 -0.953 18.2-106.3-131.0 151.1 40.2 47.0 65.1 77 79 A P E +D 250 0B 3 0, 0.0 173,-0.2 0, 0.0 230,-0.2 -0.555 41.5 161.5 -72.5 127.3 43.1 45.2 63.3 78 80 A V E + 0 0 13 171,-2.7 225,-2.5 1,-0.4 2,-0.4 0.667 62.4 25.5-119.0 -31.1 42.7 41.5 63.6 79 81 A V E -DE 249 302B 1 170,-1.3 170,-3.0 223,-0.2 -1,-0.4 -1.000 67.4-155.0-138.3 137.3 45.0 40.0 60.9 80 82 A A E -DE 248 301B 5 221,-3.5 221,-2.5 -2,-0.4 168,-0.2 -0.877 13.5-129.6-116.5 146.4 48.0 41.5 59.2 81 83 A E E - E 0 300B 0 166,-2.4 2,-0.3 -2,-0.4 219,-0.2 -0.545 23.8-159.7 -80.9 155.7 49.6 40.9 55.8 82 84 A F E - E 0 299B 14 217,-1.7 216,-2.9 -2,-0.2 217,-1.1 -0.970 5.5-163.8-135.6 150.8 53.4 40.2 55.8 83 85 A Y B +F 90 0C 4 7,-3.0 7,-2.6 -2,-0.3 2,-1.5 -0.473 54.4 54.2-120.3-170.0 55.8 40.6 52.9 84 86 A G S S- 0 0 35 212,-0.5 2,-0.3 5,-0.2 3,-0.1 -0.600 107.1 -40.3 84.9 -85.7 59.2 39.4 51.9 85 87 A S - 0 0 27 -2,-1.5 213,-0.1 3,-0.4 5,-0.1 -0.968 47.9-106.1-167.7 166.5 59.1 35.6 52.3 86 88 A K S S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.823 119.7 57.5 -71.8 -28.6 57.7 33.0 54.6 87 89 A E S S+ 0 0 164 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.933 125.7 15.1 -64.7 -49.3 61.3 32.4 55.8 88 90 A D S S- 0 0 114 -5,-0.0 -3,-0.4 2,-0.0 -1,-0.3 -0.719 85.4-160.4-129.4 78.1 61.7 36.1 57.0 89 91 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.361 3.3-152.0 -62.9 133.6 58.3 37.7 57.1 90 92 A Q B -F 83 0C 42 -7,-2.6 -7,-3.0 -5,-0.1 -2,-0.0 -0.939 12.7-167.8-110.6 126.6 58.3 41.5 57.0 91 93 A T S S+ 0 0 70 -2,-0.5 155,-1.6 -9,-0.2 2,-0.3 -0.074 74.5 51.3-101.8 34.3 55.4 43.3 58.7 92 94 A F E -G 245 0D 58 153,-0.3 2,-0.3 154,-0.0 -9,-0.2 -0.952 63.1-165.8-156.0 163.8 56.4 46.6 57.0 93 95 A Y E -G 244 0D 0 151,-1.9 151,-2.8 -2,-0.3 2,-0.4 -0.900 27.6 -93.0-147.5 175.8 57.2 47.9 53.6 94 96 A Y E -G 243 0D 18 -2,-0.3 111,-1.1 149,-0.2 2,-0.6 -0.803 16.8-144.9-105.2 139.7 58.8 50.9 52.0 95 97 A A E +GH 242 204D 0 147,-3.0 146,-3.5 -2,-0.4 147,-1.0 -0.864 33.1 175.6 -94.8 123.2 57.3 54.1 50.7 96 98 A V E - H 0 203D 2 107,-2.9 107,-1.3 -2,-0.6 2,-0.6 -0.856 31.8-129.6-127.7 165.8 59.3 55.3 47.7 97 99 A A E - H 0 202D 0 127,-0.4 127,-2.2 -2,-0.3 2,-0.4 -0.941 25.0-160.4-118.0 106.5 59.0 58.1 45.1 98 100 A V E +IH 223 201D 2 103,-2.6 103,-2.3 -2,-0.6 2,-0.3 -0.746 17.8 164.5 -92.1 134.1 59.3 56.9 41.5 99 101 A V E -IH 222 200D 0 123,-2.7 123,-2.7 -2,-0.4 2,-0.3 -0.890 39.6 -92.8-138.4 166.9 60.3 59.2 38.7 100 102 A K E > -I 221 0D 70 99,-0.6 3,-1.5 -2,-0.3 121,-0.3 -0.612 50.7 -93.6 -86.3 144.7 61.5 58.9 35.1 101 103 A K T 3 S+ 0 0 92 119,-2.8 -1,-0.1 -2,-0.3 119,-0.0 -0.259 105.7 6.7 -56.3 135.8 65.2 58.9 34.3 102 104 A D T 3 S+ 0 0 135 1,-0.1 -1,-0.3 -3,-0.1 119,-0.0 0.714 80.2 135.3 64.1 22.3 66.7 62.3 33.5 103 105 A S < - 0 0 48 -3,-1.5 -2,-0.1 2,-0.1 -1,-0.1 0.529 64.6-132.2 -77.2 -2.8 63.5 64.2 34.3 104 106 A G + 0 0 66 -4,-0.1 2,-0.3 1,-0.1 -3,-0.1 0.868 60.8 102.1 56.5 54.1 65.9 66.6 36.1 105 107 A F - 0 0 7 5,-0.0 2,-0.1 0, 0.0 -2,-0.1 -0.957 48.6-148.0-161.5 142.6 64.5 67.3 39.5 106 108 A Q > - 0 0 43 -2,-0.3 3,-1.8 122,-0.1 118,-0.1 -0.392 44.5 -88.9-100.1-178.6 65.1 66.3 43.1 107 109 A M G > S+ 0 0 14 118,-0.5 3,-0.7 1,-0.3 119,-0.1 0.788 126.9 58.8 -62.8 -26.3 62.8 65.9 46.1 108 110 A N G 3 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.295 101.7 54.6 -87.5 11.9 63.4 69.6 46.9 109 111 A Q G < + 0 0 90 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.1 -0.127 68.8 114.0-133.5 36.4 62.1 70.7 43.5 110 112 A L X + 0 0 2 -3,-0.7 3,-2.4 2,-0.1 -2,-0.1 0.700 42.2 111.6 -81.7 -21.1 58.7 69.1 43.5 111 113 A R T 3 S+ 0 0 135 1,-0.3 41,-0.2 41,-0.1 3,-0.1 -0.303 86.1 15.9 -56.6 131.9 56.8 72.4 43.6 112 114 A G T 3 S+ 0 0 40 39,-3.0 -1,-0.3 1,-0.3 40,-0.2 0.360 100.9 116.1 86.5 -7.5 55.0 72.8 40.2 113 115 A K < - 0 0 57 -3,-2.4 40,-2.1 38,-0.2 2,-0.4 -0.438 69.0-108.9 -88.9 168.9 55.4 69.2 39.2 114 116 A K - 0 0 59 38,-0.2 85,-2.6 39,-0.2 86,-1.3 -0.830 34.0-151.2-101.9 137.2 52.4 66.8 38.7 115 117 A S E -jk 155 200D 0 39,-1.6 41,-1.9 -2,-0.4 2,-0.6 -0.879 14.6-155.9-120.2 144.3 51.8 64.0 41.1 116 118 A c E -jk 156 201D 0 84,-2.6 86,-2.5 -2,-0.4 2,-0.3 -0.954 20.6-174.5-114.4 114.3 50.4 60.5 41.1 117 119 A H E - k 0 202D 0 39,-2.7 68,-0.1 -2,-0.6 3,-0.1 -0.871 30.7-134.7-111.1 143.7 49.1 59.2 44.5 118 120 A T S S- 0 0 1 84,-0.8 67,-2.5 -2,-0.3 2,-0.2 0.903 79.2 -50.4 -60.3 -40.3 47.7 55.8 45.3 119 121 A G > - 0 0 0 65,-0.2 3,-1.6 3,-0.1 -1,-0.3 -0.849 67.2 -69.4 169.3 153.3 44.8 57.4 47.2 120 122 A L T 3 S+ 0 0 29 38,-3.5 6,-0.1 -2,-0.2 5,-0.0 -0.337 115.1 10.8 -60.2 131.0 43.9 60.0 49.8 121 123 A G T 3 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.435 93.4 133.0 82.2 -0.0 45.0 59.0 53.4 122 124 A R <>> - 0 0 29 -3,-1.6 5,-2.4 -59,-0.1 4,-1.6 -0.528 60.8-118.9 -86.1 151.8 47.1 56.0 52.4 123 125 A S T 4>S+ 0 0 0 3,-0.2 5,-2.7 -2,-0.2 3,-0.1 0.957 102.7 21.1 -52.4 -71.0 50.7 55.4 53.8 124 126 A A T 45S+ 0 0 2 1,-0.2 -1,-0.2 3,-0.2 79,-0.1 0.903 127.6 48.5 -71.2 -40.8 53.0 55.4 50.8 125 127 A G T 45S- 0 0 0 3,-0.1 77,-0.2 -8,-0.1 -1,-0.2 0.680 134.2 -8.3 -75.9 -17.9 50.8 57.4 48.4 126 128 A W T X>S+ 0 0 11 -4,-1.6 4,-2.5 -3,-0.1 5,-0.6 0.508 121.0 55.6-140.8 -67.0 49.8 60.2 50.7 127 129 A N H >5S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.929 121.0 44.9 -60.7 -46.8 55.2 62.0 51.0 130 132 A I H X5S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -3,-0.2 0.828 111.4 55.1 -66.0 -33.2 52.7 64.8 52.0 131 133 A G H <X S+ 0 0 5 -4,-1.9 3,-2.1 1,-0.2 4,-0.8 0.538 82.5 110.0 -89.0 -7.9 56.6 68.1 52.2 134 136 A Y G >< S+ 0 0 27 -4,-1.1 3,-0.6 -3,-0.3 -1,-0.2 0.742 80.3 42.2 -38.3 -46.7 54.2 69.7 54.6 135 137 A d G 34 S+ 0 0 64 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.665 106.9 62.3 -81.5 -14.1 56.2 72.8 55.5 136 138 A D G <4 S+ 0 0 73 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.600 88.1 98.6 -81.2 -11.4 57.2 73.3 51.9 137 139 A L S << S- 0 0 5 -4,-0.8 2,-0.2 -3,-0.6 4,-0.1 -0.411 83.7-107.3 -75.3 151.9 53.5 73.8 51.3 138 140 A P - 0 0 54 0, 0.0 12,-0.1 0, 0.0 -1,-0.1 -0.555 50.2 -75.0 -81.6 144.7 52.1 77.3 51.0 139 141 A E S S+ 0 0 154 -2,-0.2 2,-0.1 2,-0.1 -4,-0.0 -0.563 111.0 53.9 -80.4 146.7 50.0 78.8 53.8 140 142 A P + 0 0 77 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.431 64.7 179.7 -77.1 137.2 47.2 78.4 54.7 141 143 A R + 0 0 40 -4,-0.1 6,-0.2 -2,-0.1 -2,-0.1 0.300 44.8 119.6 -85.8 7.9 48.0 74.6 54.9 142 144 A K + 0 0 152 1,-0.2 2,-0.1 2,-0.1 183,-0.0 -0.993 66.6 33.8-126.6 125.0 44.4 74.1 56.0 143 145 A P S >> S- 0 0 63 0, 0.0 4,-1.5 0, 0.0 3,-0.8 0.544 85.9-150.4 -74.8 151.7 42.7 72.4 54.5 144 146 A L H 3> S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 94.0 62.0 -53.0 -41.7 45.6 70.2 53.5 145 147 A E H 3> S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 104.6 48.3 -54.0 -41.4 43.9 69.3 50.2 146 148 A K H <> S+ 0 0 87 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.882 111.2 48.0 -69.8 -39.9 44.0 73.0 49.1 147 149 A A H X S+ 0 0 0 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.849 115.4 46.6 -69.7 -33.0 47.7 73.5 50.0 148 150 A V H >X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 3,-0.7 0.929 109.0 53.0 -73.2 -46.2 48.6 70.3 48.2 149 151 A A H 3< S+ 0 0 4 -4,-2.5 5,-0.2 1,-0.3 -2,-0.2 0.837 113.3 46.7 -57.2 -33.2 46.5 71.2 45.1 150 152 A N H 3< S+ 0 0 70 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.667 107.3 55.6 -84.7 -19.6 48.4 74.5 45.1 151 153 A F H << S+ 0 0 5 -4,-0.9 -39,-3.0 -3,-0.7 -2,-0.2 0.937 108.9 45.6 -77.5 -51.2 51.9 73.0 45.5 152 154 A F S < S- 0 0 6 -4,-1.9 -38,-0.2 -41,-0.2 3,-0.1 -0.422 85.9-123.8 -86.3 166.3 51.8 70.6 42.5 153 155 A S S S- 0 0 44 -40,-2.1 -39,-0.2 1,-0.4 2,-0.1 -0.091 87.7 -26.0-101.9 34.1 50.5 71.7 39.1 154 156 A G - 0 0 0 -41,-0.3 -39,-1.6 -5,-0.2 -1,-0.4 -0.199 69.6-172.2 129.7 139.0 47.9 68.9 39.0 155 157 A S E -j 115 0D 0 12,-2.9 16,-2.0 -41,-0.2 17,-0.5 -0.892 27.9-125.7-147.5 175.0 47.6 65.5 40.6 156 158 A e E +j 116 0D 0 -41,-1.9 -39,-2.7 -2,-0.3 13,-0.2 -0.963 33.8 165.2-126.8 109.2 45.6 62.3 40.8 157 159 A A > - 0 0 0 11,-2.0 3,-2.0 -2,-0.5 -39,-0.1 -0.815 30.5-142.4-125.5 86.6 44.7 61.7 44.5 158 160 A P T 3 S+ 0 0 0 0, 0.0 -38,-3.5 0, 0.0 18,-0.2 -0.189 82.9 23.9 -53.2 143.2 42.0 59.0 44.4 159 161 A f T 3 S+ 0 0 40 16,-2.4 18,-0.1 1,-0.3 17,-0.1 0.264 92.2 125.8 83.9 -7.7 39.2 59.4 47.0 160 162 A A S < S- 0 0 6 -3,-2.0 2,-1.0 8,-0.2 -1,-0.3 -0.343 75.2 -97.2 -74.2 163.2 39.8 63.2 47.2 161 163 A D > - 0 0 75 1,-0.2 4,-2.6 -3,-0.1 7,-0.2 -0.745 34.3-171.0 -87.5 103.0 36.8 65.6 46.6 162 164 A G T 4 S+ 0 0 24 -2,-1.0 -1,-0.2 12,-0.4 7,-0.2 0.770 83.2 58.8 -62.9 -28.3 37.1 66.7 43.0 163 165 A T T 4 S+ 0 0 126 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.934 116.2 31.3 -66.7 -48.7 34.3 69.3 43.5 164 166 A D T 4 S+ 0 0 106 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.802 135.5 27.7 -80.8 -31.3 36.2 71.1 46.3 165 167 A F >< + 0 0 27 -4,-2.6 3,-1.1 1,-0.1 -1,-0.2 -0.620 65.6 168.1-135.3 75.7 39.7 70.4 45.0 166 168 A P G > S+ 0 0 76 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.837 73.9 63.3 -55.0 -42.5 39.7 70.0 41.2 167 169 A Q G > S+ 0 0 66 1,-0.3 -12,-2.9 2,-0.2 3,-1.0 0.786 94.2 63.9 -56.8 -27.5 43.5 70.1 40.7 168 170 A L G < S+ 0 0 0 -3,-1.1 -11,-2.0 1,-0.2 -1,-0.3 0.541 109.9 38.4 -74.1 -7.8 43.7 67.0 42.8 169 171 A g G X S+ 0 0 7 -3,-2.4 3,-0.6 -13,-0.2 6,-0.3 0.183 82.9 108.0-123.4 10.3 41.8 65.1 40.1 170 172 A Q T < S+ 0 0 101 -3,-1.0 -14,-0.2 -15,-0.3 -2,-0.1 0.827 85.8 41.8 -57.1 -37.5 43.4 66.8 37.1 171 173 A L T 3 S+ 0 0 20 -16,-2.0 -1,-0.2 -4,-0.3 -15,-0.2 0.561 131.2 25.6 -87.8 -13.5 45.3 63.6 36.2 172 174 A e S X S- 0 0 7 -3,-0.6 3,-2.7 -17,-0.5 -1,-0.3 -0.601 89.2-138.6-150.3 79.3 42.3 61.3 36.9 173 175 A P T 3 S+ 0 0 119 0, 0.0 3,-0.3 0, 0.0 -3,-0.1 -0.135 88.4 20.6 -44.0 123.4 39.0 63.2 36.5 174 176 A G T 3 S- 0 0 62 1,-0.2 -12,-0.4 -8,-0.1 -15,-0.1 0.008 97.3-119.8 104.5 -26.2 36.6 62.2 39.3 175 177 A g < - 0 0 4 -3,-2.7 -16,-2.4 -6,-0.3 -1,-0.2 0.934 38.0-152.1 53.8 48.8 39.3 60.9 41.7 176 178 A G - 0 0 28 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.2 -0.268 9.3-144.9 -56.3 134.4 37.6 57.5 41.6 177 179 A f S S+ 0 0 24 -19,-0.2 -134,-0.4 -3,-0.1 2,-0.3 -0.318 72.1 46.0 -99.6 48.0 38.1 55.5 44.8 178 180 A S S > S- 0 0 9 -2,-0.4 3,-2.1 -136,-0.1 6,-0.2 -0.958 103.2 -77.3-169.5 174.5 38.4 52.0 43.4 179 181 A T T 3 S+ 0 0 38 -170,-0.4 5,-0.1 1,-0.3 -169,-0.1 0.559 114.4 80.5 -64.4 -6.4 40.0 50.0 40.6 180 182 A L T 3 S+ 0 0 113 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.799 82.9 71.9 -67.7 -26.7 37.4 51.5 38.1 181 183 A N S X S- 0 0 22 -3,-2.1 3,-1.8 1,-0.1 7,-0.1 -0.825 83.5-149.7 -89.2 113.8 39.8 54.5 38.2 182 184 A Q T 3 S+ 0 0 106 -2,-0.7 9,-0.2 1,-0.3 -1,-0.1 0.617 93.8 54.2 -62.7 -12.8 42.8 53.3 36.2 183 185 A Y T 3 S+ 0 0 20 8,-0.1 -1,-0.3 -7,-0.1 2,-0.2 0.104 85.6 116.8-109.1 23.2 45.2 55.5 38.3 184 186 A F <> - 0 0 43 -3,-1.8 4,-1.2 4,-0.2 -65,-0.2 -0.605 65.3 -1.5 -91.8 148.5 44.0 54.1 41.6 185 187 A G H > S- 0 0 7 -67,-2.5 4,-2.5 -2,-0.2 5,-0.2 -0.084 108.3 -43.5 71.3-171.5 46.3 52.2 44.1 186 188 A Y H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.958 140.5 38.8 -58.2 -57.4 49.9 51.3 43.7 187 189 A S H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.781 115.8 53.1 -68.2 -27.4 49.7 50.1 40.1 188 190 A G H X S+ 0 0 6 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.903 108.0 49.9 -72.6 -42.4 47.4 52.9 39.1 189 191 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.866 111.5 50.2 -62.8 -37.1 49.7 55.5 40.5 190 192 A F H X S+ 0 0 3 -4,-1.8 4,-2.9 -5,-0.2 3,-0.3 0.893 108.5 51.1 -69.6 -38.3 52.5 53.9 38.6 191 193 A K H X S+ 0 0 73 -4,-1.8 4,-3.4 1,-0.2 6,-0.3 0.904 103.3 60.3 -62.3 -41.9 50.5 53.9 35.3 192 194 A c H <>S+ 0 0 0 -4,-2.2 6,-1.8 1,-0.2 5,-1.5 0.855 112.4 38.6 -53.2 -38.2 49.8 57.6 35.9 193 195 A L H ><5S+ 0 0 0 -4,-1.1 3,-1.4 -3,-0.3 -2,-0.2 0.934 115.6 50.2 -78.9 -50.6 53.6 58.2 35.7 194 196 A K H 3<5S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.877 108.1 54.4 -55.9 -40.8 54.4 55.7 33.0 195 197 A D T 3<5S- 0 0 77 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.650 117.5-113.5 -68.0 -18.7 51.6 57.2 30.7 196 198 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.577 85.2 118.6 94.9 9.5 53.2 60.6 31.1 197 199 A A S -H 95 0D 1 -109,-0.2 3,-0.9 -2,-0.2 4,-0.4 -0.602 45.0 -98.6-104.8 171.8 55.9 51.1 47.4 205 207 A E T 3 S+ 0 0 20 -111,-1.1 4,-0.3 1,-0.2 3,-0.1 0.737 118.7 48.2 -61.5 -26.4 59.3 49.4 46.6 206 208 A S T 3> S+ 0 0 21 -112,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.639 85.5 90.5 -91.1 -13.5 57.7 46.5 44.7 207 209 A T H <> S+ 0 0 0 -3,-0.9 4,-0.7 1,-0.2 3,-0.5 0.899 87.6 45.3 -49.2 -54.3 55.4 48.4 42.5 208 210 A I H >> S+ 0 0 4 -4,-0.4 4,-3.1 1,-0.2 3,-0.7 0.872 113.0 51.6 -60.7 -37.0 57.7 48.9 39.5 209 211 A F H 34 S+ 0 0 73 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 107.4 53.9 -69.8 -26.4 58.9 45.3 39.6 210 212 A E H 3< S+ 0 0 41 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.602 119.5 33.7 -81.2 -13.8 55.2 44.2 39.6 211 213 A N H << S+ 0 0 56 -4,-0.7 2,-0.6 -3,-0.7 -2,-0.2 0.707 115.8 49.1-113.4 -30.1 54.7 46.3 36.4 212 214 A L < - 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