==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 24-JUL-01 1JNF . COMPND 2 MOLECULE: SEROTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR D.R.HALL,J.M.HADDEN,G.A.LEONARD,S.BAILEY,M.NEU,M.WINN, . 674 1 19 19 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 10.4 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 . 2 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 . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 2 4 1 1 2 4 1 3 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 0 0 1 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 . 1 0 6 6 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 2 2 0 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 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 E 0 0 105 0, 0.0 2,-0.8 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0-112.3 15.4 101.6 -24.2 2 4 A K + 0 0 77 29,-0.5 32,-2.4 30,-0.2 2,-0.4 -0.850 360.0 174.3 -86.6 109.1 16.7 100.6 -20.8 3 5 A T E -a 34 0A 24 -2,-0.8 2,-0.6 30,-0.2 32,-0.2 -0.935 25.8-156.0-119.2 142.1 15.7 97.0 -20.2 4 6 A V E -a 35 0A 0 30,-2.4 32,-3.2 -2,-0.4 2,-1.0 -0.975 14.0-149.1-109.3 116.4 16.5 94.6 -17.4 5 7 A R E -a 36 0A 48 -2,-0.6 51,-2.9 30,-0.2 52,-1.6 -0.760 18.8-157.6 -84.2 104.5 16.2 91.0 -18.6 6 8 A W E -ab 37 57A 1 30,-3.2 32,-2.5 -2,-1.0 2,-0.7 -0.712 9.2-135.8 -93.0 131.1 15.1 89.2 -15.4 7 9 A a E -a 38 0A 0 50,-2.9 2,-0.4 -2,-0.5 52,-0.3 -0.760 19.9-167.6 -93.6 110.8 15.8 85.6 -15.1 8 10 A A E -a 39 0A 0 30,-3.0 32,-2.6 -2,-0.7 2,-1.2 -0.790 19.2-133.2 -94.7 134.0 12.8 83.6 -13.8 9 11 A V E > -a 40 0A 16 -2,-0.4 4,-0.6 30,-0.2 170,-0.5 -0.717 64.3 -47.5 -94.6 95.9 13.3 80.0 -12.7 10 12 A N H > S- 0 0 34 30,-2.2 4,-2.2 -2,-1.2 3,-0.3 -0.001 92.2 -37.6 71.8-169.7 10.5 78.0 -14.2 11 13 A D H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.781 126.8 45.4 -62.8 -50.6 6.8 78.6 -14.3 12 14 A H H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 115.9 49.5 -63.8 -33.4 5.7 80.1 -11.1 13 15 A E H X S+ 0 0 28 -4,-0.6 4,-2.5 -3,-0.3 -2,-0.2 0.909 107.7 56.5 -68.7 -38.0 8.5 82.5 -11.1 14 16 A A H X S+ 0 0 25 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 106.5 48.9 -57.9 -42.2 7.6 83.4 -14.7 15 17 A S H X S+ 0 0 50 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.910 112.0 47.7 -69.0 -40.1 4.1 84.3 -13.7 16 18 A K H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.873 108.0 55.9 -66.3 -36.1 5.3 86.5 -10.9 17 19 A b H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.935 106.2 50.9 -60.8 -38.3 7.8 88.1 -13.2 18 20 A A H X S+ 0 0 25 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.879 109.6 48.7 -65.3 -44.6 5.0 89.1 -15.6 19 21 A N H X S+ 0 0 71 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.902 111.1 52.9 -61.5 -37.9 2.9 90.6 -12.9 20 22 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.957 109.7 47.3 -60.2 -55.3 6.1 92.4 -11.8 21 23 A R H X S+ 0 0 97 -4,-2.6 4,-2.4 1,-0.2 14,-0.2 0.914 114.6 45.5 -46.4 -55.0 6.7 93.9 -15.3 22 24 A D H X S+ 0 0 73 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.787 112.5 50.2 -69.3 -35.8 3.2 95.1 -15.8 23 25 A S H X S+ 0 0 18 -4,-2.0 4,-1.2 -5,-0.2 3,-0.3 0.933 111.1 47.9 -70.0 -46.2 2.9 96.6 -12.5 24 26 A M H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.908 102.6 64.4 -57.9 -44.0 6.2 98.5 -12.8 25 27 A K H < S+ 0 0 170 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.906 100.9 52.6 -50.5 -41.6 5.1 99.7 -16.3 26 28 A K H < S+ 0 0 176 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.938 116.3 36.7 -60.1 -46.4 2.3 101.6 -14.6 27 29 A V H < S+ 0 0 54 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.557 103.6 74.1 -91.0 -11.1 4.5 103.4 -12.1 28 30 A L S < S- 0 0 15 -4,-2.0 2,-0.2 -3,-0.2 236,-0.0 -0.664 85.6-102.9 -96.9 161.4 7.7 104.2 -14.0 29 31 A P > - 0 0 79 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 -0.531 46.4 -92.5 -76.9 152.3 8.1 106.8 -16.7 30 32 A E T 3 S+ 0 0 197 1,-0.3 4,-0.1 -2,-0.2 -5,-0.0 0.437 131.0 39.8 -43.9 -5.1 8.2 105.7 -20.4 31 33 A D T 3 S+ 0 0 85 2,-0.1 -29,-0.5 -30,-0.1 -1,-0.3 0.690 83.2 117.3-108.4 -46.2 12.0 105.4 -20.1 32 34 A G S < S- 0 0 13 -3,-0.5 -30,-0.2 1,-0.1 -4,-0.1 0.140 89.3 -82.0 -18.7 140.0 12.1 104.0 -16.6 33 35 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -30,-0.2 -0.228 49.7-143.8 -60.0 144.6 13.8 100.6 -17.1 34 36 A R E -a 3 0A 141 -32,-2.4 -30,-2.4 -3,-0.2 2,-0.4 -0.870 12.5-119.5-114.2 146.2 11.3 98.0 -18.3 35 37 A I E -a 4 0A 4 -2,-0.4 2,-0.5 -14,-0.2 -30,-0.2 -0.648 18.3-166.2 -89.3 136.8 11.4 94.4 -17.3 36 38 A I E -a 5 0A 54 -32,-3.2 -30,-3.2 -2,-0.4 2,-0.5 -0.982 15.9-142.3-116.4 130.6 11.8 91.5 -19.6 37 39 A b E -a 6 0A 39 -2,-0.5 2,-0.4 -32,-0.2 -30,-0.2 -0.786 17.9-176.8 -92.5 121.6 11.0 88.0 -18.2 38 40 A V E -a 7 0A 27 -32,-2.5 -30,-3.0 -2,-0.5 2,-0.4 -0.995 15.5-148.3-116.4 130.8 13.3 85.2 -19.4 39 41 A K E +a 8 0A 114 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.845 21.0 170.7-109.5 131.2 12.4 81.8 -18.1 40 42 A K E -a 9 0A 57 -32,-2.6 -30,-2.2 -2,-0.4 -26,-0.1 -0.858 38.9-118.9-132.4 167.6 15.0 79.1 -17.5 41 43 A A S S+ 0 0 55 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.1 0.839 86.9 7.5 -80.0 -31.7 14.7 75.7 -15.8 42 44 A S S > S- 0 0 15 -34,-0.1 4,-1.5 136,-0.1 5,-0.1 -0.925 75.7-102.2-142.5 168.9 17.2 76.2 -12.9 43 45 A Y H > S+ 0 0 29 134,-0.4 4,-1.6 -2,-0.3 5,-0.1 0.828 119.7 59.7 -61.8 -32.8 19.3 78.8 -11.2 44 46 A L H >> S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.969 103.2 48.5 -62.0 -53.7 22.3 77.3 -13.0 45 47 A D H 3> S+ 0 0 62 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.807 109.4 55.4 -55.4 -31.7 20.8 78.0 -16.4 46 48 A a H 3X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -1,-0.3 0.877 104.4 52.0 -68.7 -34.5 20.1 81.4 -15.2 47 49 A I H S+ 0 0 4 -4,-2.1 5,-2.2 1,-0.2 6,-2.0 0.771 108.8 49.0 -63.5 -25.8 22.1 83.1 -19.5 50 52 A I H ><5S+ 0 0 0 -4,-1.4 3,-1.2 -3,-0.5 -1,-0.2 0.894 108.6 51.3 -81.8 -34.8 23.5 86.1 -17.7 51 53 A A H 3<5S+ 0 0 37 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.839 114.1 45.7 -66.7 -33.1 27.1 85.3 -18.6 52 54 A A T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.209 118.2-110.3 -98.9 9.2 26.1 85.0 -22.2 53 55 A H T < 5S+ 0 0 103 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.570 85.3 120.2 76.3 9.3 24.0 88.1 -22.2 54 56 A E S > - 0 0 5 -2,-0.3 4,-2.0 186,-0.2 3,-1.9 -0.482 44.6-109.4 -69.3 151.1 21.3 82.3 -2.2 62 64 A A H 3> S+ 0 0 0 183,-0.5 4,-1.8 1,-0.3 5,-0.1 0.815 118.2 56.7 -60.5 -29.1 24.8 83.2 -0.9 63 65 A G H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.781 109.9 44.1 -72.7 -24.3 26.1 79.8 -1.5 64 66 A L H <> S+ 0 0 7 -3,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.766 104.2 63.8 -90.9 -23.5 25.1 80.0 -5.1 65 67 A V H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.906 101.8 52.6 -60.2 -42.1 26.5 83.5 -5.3 66 68 A H H X S+ 0 0 14 -4,-1.8 4,-0.6 1,-0.2 3,-0.3 0.936 109.7 48.0 -58.5 -43.8 29.8 81.9 -4.6 67 69 A E H < S+ 0 0 37 -4,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.833 110.1 52.1 -62.6 -32.3 29.1 79.5 -7.5 68 70 A A H < S+ 0 0 0 -4,-2.0 7,-2.5 1,-0.2 -1,-0.2 0.720 103.3 58.2 -78.1 -27.3 28.1 82.3 -9.8 69 71 A G H < S+ 0 0 22 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.549 87.2 96.9 -81.6 -14.2 31.3 84.3 -9.2 70 72 A L S >X S- 0 0 71 -4,-0.6 4,-3.7 -3,-0.4 3,-1.5 -0.306 80.7 -54.0 -72.8 167.2 33.6 81.6 -10.3 71 73 A T T 34 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.3 -2,-0.0 -0.446 117.5 21.3 -73.7 153.1 35.1 81.3 -13.8 72 74 A P T 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.907 129.2 45.7 -91.2 21.4 34.0 81.3 -16.4 73 75 A N T <4 + 0 0 34 -3,-1.5 180,-0.3 -6,-0.2 -2,-0.3 0.845 69.5 179.3 -89.6 -41.5 30.9 83.0 -15.2 74 76 A N < + 0 0 71 -4,-3.7 179,-0.7 -7,-0.2 -5,-0.3 0.845 15.9 161.0 50.6 52.6 32.3 85.7 -13.0 75 77 A L E -D 252 0B 5 -7,-2.5 234,-0.3 -5,-0.2 177,-0.2 -0.515 22.0-150.2 -99.5 172.7 29.2 87.4 -11.9 76 78 A K E -D 251 0B 26 175,-2.4 175,-1.7 -2,-0.2 2,-0.3 -0.987 20.4-103.4-144.1 153.3 28.9 89.6 -8.9 77 79 A P E +D 250 0B 0 0, 0.0 173,-0.3 0, 0.0 3,-0.1 -0.594 39.0 163.4 -70.6 132.8 26.4 90.6 -6.3 78 80 A V E + 0 0 0 171,-2.7 225,-2.5 1,-0.4 2,-0.3 0.611 64.1 29.1-126.8 -19.8 25.0 94.0 -7.0 79 81 A V E -DE 249 302B 0 170,-1.5 170,-2.2 223,-0.2 2,-0.4 -0.995 68.3-158.1-137.7 147.7 21.9 94.2 -4.8 80 82 A A E -DE 248 301B 0 221,-2.4 221,-1.5 -2,-0.3 168,-0.2 -0.952 15.4-127.4-129.1 143.2 21.2 92.5 -1.6 81 83 A E E - E 0 300B 1 166,-2.5 2,-0.3 -2,-0.4 219,-0.2 -0.545 25.1-155.7 -76.7 154.0 18.1 91.6 0.3 82 84 A F E - E 0 299B 12 217,-2.1 216,-2.9 -2,-0.2 217,-0.9 -0.924 7.8-158.8-125.5 158.8 17.8 92.7 3.8 83 85 A Y B +F 90 0C 9 7,-2.9 7,-2.1 -2,-0.3 2,-1.4 -0.631 53.3 46.9-125.9-179.9 15.8 91.2 6.6 84 86 A G S S- 0 0 46 212,-0.4 2,-0.3 -2,-0.2 3,-0.1 -0.645 107.0 -36.4 91.5 -84.2 14.2 91.9 10.0 85 87 A S - 0 0 28 -2,-1.4 3,-0.3 3,-0.2 213,-0.1 -0.968 54.7-100.6-165.3 167.9 12.6 95.3 9.5 86 88 A K S S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.2 212,-0.0 0.929 120.9 45.0 -64.2 -41.7 13.0 98.5 7.7 87 89 A E S S+ 0 0 160 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.635 123.9 30.9 -82.6 -14.3 14.3 100.3 10.8 88 90 A N S S- 0 0 94 -3,-0.3 -1,-0.2 -5,-0.1 -3,-0.2 -0.486 85.3-172.3-138.9 71.0 16.7 97.6 12.0 89 91 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.346 8.2-163.2 -72.1 142.2 17.9 95.8 8.9 90 92 A K B -F 83 0C 47 -7,-2.1 -7,-2.9 -2,-0.1 584,-0.2 -0.947 16.6-161.6-124.0 138.3 20.0 92.7 8.8 91 93 A T S S+ 0 0 2 582,-1.9 155,-1.8 -2,-0.4 2,-0.3 -0.019 76.1 57.2-107.5 35.3 22.1 91.3 6.0 92 94 A F E -G 245 0D 23 153,-0.3 2,-0.3 581,-0.2 -9,-0.2 -0.934 60.7-165.2-147.5 167.4 22.3 87.8 7.4 93 95 A Y E -G 244 0D 0 151,-2.3 151,-2.7 -2,-0.3 2,-0.4 -0.924 27.0 -96.4-147.9 172.2 19.9 85.1 8.5 94 96 A Y E -G 243 0D 10 -2,-0.3 111,-1.1 149,-0.2 2,-0.5 -0.799 17.5-145.6-102.3 138.2 20.1 81.9 10.5 95 97 A A E +GH 242 204D 0 147,-2.6 146,-3.2 -2,-0.4 147,-1.0 -0.818 31.0 179.4 -89.7 132.8 20.4 78.4 9.2 96 98 A V E - H 0 203D 3 107,-3.0 107,-1.3 -2,-0.5 2,-0.6 -0.902 32.4-127.6-131.3 163.4 18.4 76.0 11.5 97 99 A A E -IH 224 202D 0 127,-0.5 127,-2.0 -2,-0.3 2,-0.4 -0.932 31.3-155.6-109.2 110.2 17.7 72.3 11.7 98 100 A L E +IH 223 201D 2 103,-3.7 103,-2.4 -2,-0.6 2,-0.3 -0.729 19.1 167.2 -95.9 129.6 13.9 71.9 11.9 99 101 A V E -IH 222 200D 0 123,-2.5 123,-1.9 -2,-0.4 2,-0.4 -0.830 38.2 -96.9-128.8 169.1 12.3 68.9 13.5 100 102 A K E > -I 221 0D 65 99,-0.5 3,-1.5 -2,-0.3 121,-0.3 -0.735 47.9-105.1 -85.0 134.3 9.0 67.6 14.8 101 103 A K T 3 S+ 0 0 104 119,-2.6 -1,-0.1 -2,-0.4 121,-0.0 -0.311 103.9 24.0 -53.0 133.5 8.4 67.8 18.6 102 104 A G T 3 S+ 0 0 55 3,-0.0 -1,-0.3 1,-0.0 119,-0.0 0.548 82.0 108.9 86.5 8.1 8.8 64.5 20.2 103 105 A S < - 0 0 46 -3,-1.5 2,-1.6 2,-0.1 -2,-0.1 0.587 64.4-159.2 -90.4 -9.1 10.9 62.7 17.7 104 106 A N + 0 0 123 -4,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.043 40.3 127.4 71.8 -35.9 13.7 63.0 20.4 105 107 A F - 0 0 13 -2,-1.6 -1,-0.1 4,-0.1 2,-0.1 -0.193 46.2-141.6 -62.7 147.8 16.8 62.6 18.4 106 108 A Q > - 0 0 38 122,-0.1 3,-2.5 118,-0.1 118,-0.1 -0.417 34.3 -86.2-100.5 178.2 19.7 65.3 18.7 107 109 A L G > S+ 0 0 20 118,-0.5 3,-0.9 1,-0.3 119,-0.1 0.842 126.3 55.8 -53.9 -34.9 22.1 66.8 16.2 108 110 A N G 3 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.368 96.6 65.0 -83.8 7.8 24.5 64.0 16.7 109 111 A E G < + 0 0 94 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.030 64.8 109.7-112.0 26.4 21.9 61.3 15.8 110 112 A L X + 0 0 3 -3,-0.9 3,-2.9 2,-0.1 -1,-0.1 0.794 44.3 107.7 -73.9 -27.3 21.3 62.3 12.1 111 113 A Q T 3 S+ 0 0 129 1,-0.3 41,-0.2 -3,-0.2 40,-0.1 -0.214 91.6 13.7 -51.3 129.9 23.1 59.2 10.7 112 114 A G T 3 S+ 0 0 38 39,-3.5 -1,-0.3 1,-0.2 40,-0.2 0.204 101.7 119.5 89.2 -18.8 20.4 57.1 9.3 113 115 A K < - 0 0 53 -3,-2.9 40,-2.2 38,-0.2 2,-0.4 -0.172 67.5-108.6 -75.7 169.9 17.7 59.7 9.4 114 116 A K - 0 0 73 38,-0.2 85,-2.1 39,-0.1 86,-1.2 -0.850 37.3-147.3-101.5 139.2 15.8 61.1 6.4 115 117 A S E -jk 155 200D 0 39,-2.4 41,-1.6 -2,-0.4 2,-0.5 -0.866 19.2-162.8-125.8 144.0 16.6 64.6 5.2 116 118 A c E +jk 156 201D 0 84,-1.8 86,-2.6 -2,-0.4 2,-0.3 -0.983 20.9 177.8-120.3 120.2 14.9 67.6 3.6 117 119 A H E - 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0 0 0 11,-2.0 3,-1.9 -2,-0.4 -37,-0.1 -0.809 28.5-144.1-118.8 83.9 18.2 67.4 -2.2 158 160 A P T 3 S+ 0 0 0 0, 0.0 -38,-3.0 0, 0.0 18,-0.2 -0.255 81.0 22.5 -47.1 134.7 16.8 69.6 -4.9 159 161 A f T 3 S+ 0 0 32 16,-3.3 18,-0.1 1,-0.3 17,-0.1 0.241 93.2 124.1 92.5 -3.0 19.3 70.2 -7.8 160 162 A A S < S- 0 0 10 -3,-1.9 2,-0.9 8,-0.1 -1,-0.3 -0.364 72.5 -95.8 -88.5 166.6 21.4 67.1 -7.3 161 163 A D > - 0 0 73 1,-0.2 4,-1.6 -3,-0.1 7,-0.2 -0.700 35.3-179.1 -85.9 109.4 22.1 64.4 -9.7 162 164 A G T 4 S+ 0 0 25 -2,-0.9 -1,-0.2 12,-0.3 7,-0.1 0.701 76.5 67.4 -79.0 -22.3 19.7 61.6 -9.1 163 165 A A T 4 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.977 115.2 25.7 -63.3 -52.1 21.2 59.5 -11.8 164 166 A D T 4 S+ 0 0 106 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.715 135.9 31.6 -84.6 -23.5 24.4 59.0 -9.9 165 167 A F >< + 0 0 27 -4,-1.6 3,-1.4 1,-0.1 -1,-0.2 -0.602 65.2 168.6-135.1 73.6 23.1 59.5 -6.4 166 168 A P G > + 0 0 76 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.751 69.7 66.9 -64.2 -24.9 19.5 58.3 -6.3 167 169 A Q G > S+ 0 0 75 1,-0.3 -12,-2.2 2,-0.2 3,-1.2 0.791 89.9 66.2 -68.0 -26.8 19.1 58.3 -2.5 168 170 A L G < S+ 0 0 0 -3,-1.4 -11,-2.0 1,-0.2 -1,-0.3 0.590 107.8 40.9 -70.0 -8.4 19.4 62.1 -2.6 169 171 A g G X S+ 0 0 9 -3,-1.8 3,-0.9 -4,-0.2 -1,-0.2 0.254 80.0 108.6-119.8 14.8 16.1 62.0 -4.5 170 172 A Q T < S+ 0 0 94 -3,-1.2 -14,-0.2 1,-0.3 -2,-0.1 0.889 87.0 39.4 -60.4 -41.8 14.3 59.3 -2.6 171 173 A L T 3 S+ 0 0 11 -16,-2.7 -1,-0.3 -4,-0.4 -15,-0.2 0.567 131.8 27.5 -86.4 -6.5 11.9 61.8 -0.9 172 174 A e S X S- 0 0 6 -3,-0.9 3,-2.4 -17,-0.6 -1,-0.3 -0.530 86.0-142.3-152.0 75.4 11.5 63.9 -4.1 173 175 A P T 3 S+ 0 0 117 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.187 87.7 23.0 -46.1 122.3 12.1 61.8 -7.3 174 176 A G T 3 S- 0 0 64 1,-0.1 -12,-0.3 -8,-0.1 3,-0.1 -0.016 94.2-123.1 106.7 -26.0 13.9 63.9 -9.8 175 177 A g < - 0 0 3 -3,-2.4 -16,-3.3 -6,-0.2 -1,-0.1 0.841 40.3-154.8 50.1 38.2 15.6 66.4 -7.4 176 178 A G - 0 0 27 -3,-0.2 2,-0.4 -4,-0.2 -1,-0.2 -0.106 11.5-140.1 -46.7 132.4 13.8 69.0 -9.5 177 179 A f + 0 0 25 -19,-0.2 -134,-0.4 -3,-0.1 2,-0.3 -0.223 69.0 55.8 -95.4 45.1 15.5 72.4 -9.3 178 180 A S S > S- 0 0 7 -2,-0.4 3,-1.9 -136,-0.1 6,-0.2 -0.993 89.8 -95.1-165.8 169.0 12.5 74.7 -9.1 179 181 A S T 3 S+ 0 0 35 -170,-0.5 -169,-0.1 1,-0.3 110,-0.1 0.506 108.5 81.0 -70.5 2.1 9.3 75.7 -7.3 180 182 A V T 3 S+ 0 0 66 3,-0.0 -1,-0.3 2,-0.0 -170,-0.0 0.859 83.3 65.3 -75.8 -32.9 7.5 73.6 -9.7 181 183 A Q S X S- 0 0 29 -3,-1.9 3,-1.4 1,-0.1 7,-0.1 -0.783 91.2-131.5 -85.7 136.8 8.4 70.5 -7.7 182 184 A P T 3 S+ 0 0 77 0, 0.0 9,-0.2 0, 0.0 -1,-0.1 0.578 98.4 54.6 -64.3 -13.6 6.7 70.7 -4.3 183 185 A Y T 3 S+ 0 0 41 -5,-0.1 2,-0.2 8,-0.1 -66,-0.1 0.201 83.2 116.2-110.8 23.2 9.7 69.9 -2.2 184 186 A F <> - 0 0 42 -3,-1.4 4,-2.4 4,-0.2 -65,-0.1 -0.534 66.3 -10.2 -92.9 148.6 12.0 72.6 -3.6 185 187 A G H > S- 0 0 4 -67,-1.7 4,-2.5 2,-0.2 5,-0.2 -0.082 109.9 -35.6 73.6-168.8 13.4 75.5 -1.7 186 188 A Y H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.942 142.9 44.0 -58.6 -48.6 12.7 76.8 1.8 187 189 A S H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.920 113.3 49.6 -62.2 -48.8 9.0 75.9 1.3 188 190 A G H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -4,-0.2 0.942 109.2 50.7 -62.5 -48.0 9.6 72.6 -0.2 189 191 A A H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.885 111.0 49.7 -52.4 -44.4 12.0 71.5 2.5 190 192 A F H X S+ 0 0 5 -4,-1.6 4,-3.0 -5,-0.2 3,-0.3 0.937 111.3 48.8 -61.8 -46.6 9.5 72.5 5.1 191 193 A K H X S+ 0 0 81 -4,-2.6 4,-2.8 1,-0.2 6,-0.3 0.851 103.8 60.5 -61.2 -37.7 6.8 70.6 3.3 192 194 A c H <>S+ 0 0 0 -4,-2.7 6,-1.8 1,-0.2 5,-1.6 0.910 112.8 38.9 -59.0 -38.3 9.1 67.5 3.1 193 195 A L H ><5S+ 0 0 1 -4,-1.6 3,-1.9 -3,-0.3 -2,-0.2 0.941 114.8 51.6 -73.3 -52.2 9.1 67.5 6.9 194 196 A K H 3<5S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.906 109.2 49.7 -56.7 -44.9 5.5 68.4 7.5 195 197 A D T 3<5S- 0 0 73 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 0.384 117.8-115.8 -72.6 -0.4 4.2 65.7 5.2 196 198 A G T < 5S+ 0 0 48 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.643 80.5 123.6 79.4 10.9 6.4 63.3 7.1 197 199 A L S -H 95 0D 3 -109,-0.3 3,-0.8 -2,-0.2 4,-0.4 -0.555 45.6 -99.2-107.1 174.5 16.2 79.3 7.8 205 207 A Q T 3 S+ 0 0 23 -111,-1.1 4,-0.4 1,-0.3 3,-0.1 0.679 117.4 54.1 -76.9 -17.3 14.6 80.5 10.9 206 208 A E T 3> S+ 0 0 64 -112,-0.2 4,-3.5 1,-0.2 5,-0.3 0.675 84.1 88.1 -85.0 -21.3 11.7 82.3 9.2 207 209 A T H <> S+ 0 0 0 -3,-0.8 4,-1.0 1,-0.3 5,-0.2 0.892 89.2 44.2 -50.5 -49.5 10.6 79.3 7.3 208 210 A I H >> S+ 0 0 5 -4,-0.4 4,-1.4 1,-0.2 3,-0.6 0.890 114.8 50.8 -65.5 -34.3 8.2 77.9 9.9 209 211 A F H 34 S+ 0 0 45 -4,-0.4 3,-0.5 -3,-0.3 -2,-0.2 0.945 108.5 51.2 -70.2 -39.6 6.8 81.3 10.6 210 212 A E H 3< S+ 0 0 33 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.678 118.0 37.9 -74.7 -6.3 6.2 82.0 7.0 211 213 A N H << S+ 0 0 39 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.510 118.3 44.0-115.6 -13.0 4.3 78.7 6.6 212 214 A L < - 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0 0 0 9,-2.6 3,-0.9 -2,-0.2 -31,-0.2 -0.777 41.0-138.2-121.0 81.6 48.3 113.4 -3.0 483 485 A P T 3 S+ 0 0 0 0, 0.0 -32,-2.9 0, 0.0 19,-0.2 0.011 86.0 39.2 -43.0 144.0 48.8 110.0 -4.5 484 486 A G T 3 S+ 0 0 28 17,-2.8 18,-0.1 1,-0.4 2,-0.1 0.404 90.6 121.9 87.7 0.8 45.7 107.8 -4.5 485 487 A S S < S- 0 0 24 -3,-0.9 -1,-0.4 16,-0.4 2,-0.3 -0.440 79.7 -65.6 -86.8 170.0 43.5 110.8 -5.3 486 488 A Q > - 0 0 134 1,-0.2 3,-3.1 -2,-0.1 -1,-0.1 -0.383 48.1-122.5 -56.7 118.0 41.2 111.0 -8.4 487 489 A K T 3 S+ 0 0 142 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.641 107.1 39.5 -33.1 -31.0 43.4 111.1 -11.5 488 490 A N T 3 S+ 0 0 139 3,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.147 88.2 105.7-117.1 17.6 41.9 114.4 -12.6 489 491 A S S X S- 0 0 18 -3,-3.1 3,-1.4 1,-0.1 4,-0.2 -0.473 84.9-104.3 -83.6 170.5 41.5 116.5 -9.4 490 492 A S G > S+ 0 0 15 1,-0.3 3,-3.7 -16,-0.2 -10,-1.6 0.928 116.2 70.6 -54.5 -45.6 43.8 119.4 -8.6 491 493 A L G 3 S+ 0 0 6 1,-0.3 -9,-2.6 -12,-0.2 -1,-0.3 0.314 97.9 48.5 -63.7 11.3 45.5 117.1 -6.1 492 494 A q G X S+ 0 0 7 -3,-1.4 3,-0.9 -11,-0.2 -1,-0.3 0.399 83.2 94.0-123.8 2.8 47.0 115.0 -8.8 493 495 A E T < S+ 0 0 117 -3,-3.7 -12,-0.2 1,-0.2 -2,-0.2 0.746 85.4 46.5 -71.9 -21.4 48.4 117.9 -10.7 494 496 A L T 3 S+ 0 0 9 -14,-3.7 -13,-0.2 -4,-0.3 -1,-0.2 0.595 87.1 110.8 -91.6 -8.0 51.9 117.9 -9.2 495 497 A p < + 0 0 11 -3,-0.9 5,-0.1 -15,-0.5 -3,-0.1 -0.033 33.4 167.7 -65.6 166.1 52.5 114.1 -9.4 496 498 A V + 0 0 56 3,-0.2 4,-0.1 -15,-0.0 -1,-0.1 0.587 24.8 122.9-144.3 -46.4 55.1 112.7 -11.7 497 499 A G S S- 0 0 4 2,-0.1 10,-0.2 5,-0.1 5,-0.1 0.144 80.4 -95.7 -30.3 150.3 56.0 109.1 -11.3 498 500 A P S S+ 0 0 121 0, 0.0 2,-1.3 0, 0.0 9,-0.2 0.909 125.3 53.0 -37.2 -66.3 55.5 107.0 -14.3 499 501 A S S > S- 0 0 21 7,-1.2 3,-1.5 1,-0.1 2,-0.7 -0.564 103.1-132.6 -74.4 101.3 52.1 105.9 -13.0 500 502 A V T 3 S- 0 0 67 -2,-1.3 7,-0.1 1,-0.3 -1,-0.1 -0.422 75.0 -9.5 -68.8 110.2 50.8 109.3 -12.4 501 503 A q T 3 S+ 0 0 3 -2,-0.7 -17,-2.8 1,-0.3 -16,-0.4 0.528 88.0 153.7 90.5 10.8 49.2 109.6 -9.0 502 504 A A < - 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0 0 24 -4,-1.2 4,-2.3 -5,-0.3 5,-0.2 0.170 20.1 -77.0 92.8 157.5 44.2 104.5 20.4 648 650 A A H > S+ 0 0 78 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.940 123.2 52.6 -54.9 -60.0 41.2 106.6 21.1 649 651 A D H > S+ 0 0 135 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.842 112.3 45.8 -47.0 -46.0 42.6 110.0 20.0 650 652 A Y H > S+ 0 0 14 -4,-0.4 4,-2.8 2,-0.2 -1,-0.3 0.931 113.7 48.8 -67.5 -42.8 43.6 108.6 16.6 651 653 A I H X S+ 0 0 30 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.957 110.1 52.0 -58.7 -48.1 40.3 106.8 16.1 652 654 A K H X S+ 0 0 136 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.919 111.8 47.7 -60.5 -39.1 38.4 109.9 17.1 653 655 A A H X S+ 0 0 48 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.946 111.6 46.4 -67.2 -49.5 40.3 111.9 14.5 654 656 A V H >< S+ 0 0 12 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.884 110.5 56.1 -60.3 -35.3 40.0 109.5 11.6 655 657 A S H >< S+ 0 0 44 -4,-2.6 3,-3.2 1,-0.3 4,-0.4 0.949 98.5 58.7 -63.0 -49.8 36.3 109.2 12.3 656 658 A N H 3< S+ 0 0 82 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.748 108.3 48.8 -48.8 -25.8 35.7 112.9 12.1 657 659 A L T X< S+ 0 0 12 -3,-0.8 3,-2.1 -4,-0.8 4,-0.4 0.338 80.9 102.9 -94.0 3.0 37.0 112.5 8.6 658 660 A R G X S+ 0 0 93 -3,-3.2 3,-2.1 1,-0.3 -1,-0.2 0.899 72.0 61.7 -55.8 -42.2 34.8 109.6 7.7 659 661 A K G 3 S+ 0 0 170 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.655 103.9 49.2 -61.6 -17.6 32.5 111.7 5.7 660 662 A o G < S+ 0 0 20 -3,-2.1 -1,-0.3 -190,-0.1 -2,-0.2 0.412 81.1 128.5 -99.3 4.0 35.3 112.6 3.3 661 663 A S < + 0 0 41 -3,-2.1 -3,-0.0 -4,-0.4 3,-0.0 -0.124 31.7 179.0 -56.9 159.1 36.5 109.0 2.7 662 664 A T + 0 0 94 -177,-0.0 2,-0.7 0, 0.0 -1,-0.1 -0.065 37.1 133.2-145.6 18.7 36.8 108.0 -0.9 663 665 A S > - 0 0 9 1,-0.2 4,-1.5 2,-0.1 5,-0.1 -0.702 40.2-166.5 -81.9 116.0 38.0 104.5 0.0 664 666 A R H > S+ 0 0 128 -2,-0.7 4,-2.0 1,-0.2 -358,-0.3 0.905 88.9 53.7 -69.6 -40.0 36.2 101.9 -1.9 665 667 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.879 105.8 53.6 -62.4 -35.6 37.5 99.1 0.3 666 668 A L H > S+ 0 0 5 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.872 108.1 48.5 -68.2 -38.6 36.2 100.9 3.5 667 669 A E H >< S+ 0 0 79 -4,-1.5 3,-1.3 2,-0.2 4,-0.3 0.959 112.0 51.1 -66.7 -43.7 32.6 101.2 2.2 668 670 A A H >< S+ 0 0 2 -4,-2.0 3,-1.7 1,-0.3 4,-0.5 0.941 109.3 50.3 -50.9 -53.9 32.8 97.6 1.2 669 671 A l H 3< S+ 0 0 33 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.599 112.7 47.0 -70.9 -6.0 33.9 96.6 4.6 670 672 A T T << S+ 0 0 53 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.287 86.8 89.8-116.3 12.0 31.1 98.6 6.3 671 673 A F < + 0 0 21 -3,-1.7 -2,-0.1 -4,-0.3 -3,-0.1 0.986 64.7 85.2 -71.6 -56.9 28.2 97.4 4.2 672 674 A H - 0 0 43 -4,-0.5 2,-0.7 1,-0.1 -582,-0.0 -0.071 64.7-150.8 -51.5 133.4 27.1 94.4 6.1 673 675 A K 0 0 103 -585,-0.0 -582,-1.9 0, 0.0 -581,-0.2 -0.916 360.0 360.0-106.0 108.8 24.7 95.0 9.0 674 676 A H 0 0 150 -2,-0.7 -582,-0.1 -584,-0.2 0, 0.0 -0.007 360.0 360.0 -97.8 360.0 25.2 92.3 11.7