==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-DEC-11 3V08 . COMPND 2 MOLECULE: SERUM ALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR A.DAYAL,K.JABLONSKA,P.J.POREBSKI,K.A.MAJOREK,M.CHRUSZCZ,S.C. . 581 1 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 3 0 2 1 3 1 1 0 0 1 3 0 1 3 3 2 0 0 0 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 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 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 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 H 0 0 173 0, 0.0 3,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 88.8 47.1 -44.5 -17.2 2 4 A K + 0 0 65 1,-0.2 2,-0.5 2,-0.1 0, 0.0 0.918 360.0 39.0 -52.9 -49.0 45.9 -47.9 -15.7 3 5 A S > - 0 0 1 1,-0.1 4,-1.8 48,-0.1 -1,-0.2 -0.917 63.6-168.0-115.6 114.8 46.8 -46.7 -12.1 4 6 A E H > S+ 0 0 44 -2,-0.5 4,-2.7 58,-0.3 5,-0.2 0.892 89.0 52.0 -64.3 -43.1 46.2 -43.0 -11.0 5 7 A I H > S+ 0 0 2 55,-0.5 4,-2.6 57,-0.4 -1,-0.2 0.858 108.0 50.8 -69.3 -34.7 48.2 -43.2 -7.8 6 8 A A H > S+ 0 0 0 54,-0.3 4,-3.5 2,-0.2 5,-0.2 0.958 111.3 50.6 -57.2 -50.5 51.3 -44.6 -9.6 7 9 A H H X S+ 0 0 35 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.907 111.6 46.3 -56.5 -46.9 51.0 -41.8 -12.1 8 10 A R H X S+ 0 0 20 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.934 114.3 48.1 -60.9 -45.8 50.8 -39.2 -9.3 9 11 A F H X S+ 0 0 33 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 112.5 49.1 -62.5 -45.9 53.7 -40.8 -7.4 10 12 A N H < S+ 0 0 99 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.914 117.1 40.2 -56.2 -47.9 55.8 -40.9 -10.6 11 13 A D H < S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.888 121.6 38.6 -72.7 -42.0 55.1 -37.3 -11.5 12 14 A L H < S- 0 0 20 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.742 100.1-128.4 -85.5 -29.0 55.3 -35.6 -8.1 13 15 A G X - 0 0 33 -4,-2.0 4,-2.1 -5,-0.3 5,-0.2 0.157 29.8 -82.2 84.5 152.7 58.2 -37.5 -6.4 14 16 A E H > S+ 0 0 96 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.871 122.0 51.4 -60.8 -47.3 58.1 -39.2 -3.0 15 17 A K H > S+ 0 0 139 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.962 117.0 36.2 -54.7 -65.0 58.8 -36.1 -0.8 16 18 A H H > S+ 0 0 37 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.791 117.1 54.0 -63.0 -32.3 56.1 -33.8 -2.2 17 19 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.967 112.7 43.5 -63.8 -51.4 53.7 -36.7 -2.7 18 20 A K H X S+ 0 0 71 -4,-3.2 4,-2.3 -5,-0.2 3,-0.4 0.950 113.7 52.8 -54.4 -51.8 54.2 -37.5 0.9 19 21 A G H X S+ 0 0 10 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.823 109.2 48.2 -54.3 -41.1 53.9 -33.8 1.8 20 22 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.846 109.8 51.6 -72.8 -33.3 50.6 -33.4 -0.0 21 23 A V H X S+ 0 0 6 -4,-2.0 4,-3.0 -3,-0.4 5,-0.2 0.919 108.6 50.8 -71.4 -41.8 49.1 -36.5 1.6 22 24 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 113.9 46.8 -54.0 -44.5 50.0 -35.2 5.1 23 25 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.934 110.7 50.4 -67.6 -45.9 48.4 -31.9 4.2 24 26 A A H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 3,-0.5 0.953 113.1 46.3 -58.8 -48.5 45.3 -33.5 2.8 25 27 A F H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.3 -1,-0.2 0.910 109.7 53.6 -64.4 -39.4 44.8 -35.6 5.8 26 28 A S H < S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.790 109.8 48.9 -63.9 -30.5 45.4 -32.7 8.2 27 29 A Q H < S+ 0 0 1 -4,-2.0 3,-0.3 -3,-0.5 78,-0.3 0.892 117.8 39.4 -75.9 -39.6 42.7 -30.7 6.4 28 30 A Y H < S+ 0 0 7 -4,-2.3 2,-0.6 1,-0.2 -2,-0.2 0.861 126.0 35.0 -74.0 -38.7 40.1 -33.5 6.5 29 31 A L S < S+ 0 0 1 -4,-3.2 3,-0.4 -5,-0.2 -1,-0.2 -0.783 72.9 171.7-123.0 84.2 41.0 -34.8 10.0 30 32 A Q + 0 0 11 -2,-0.6 -1,-0.1 -3,-0.3 -4,-0.1 0.596 68.5 44.4 -82.2 -15.8 41.9 -31.6 11.9 31 33 A Q S S+ 0 0 122 2,-0.1 -1,-0.2 79,-0.0 3,-0.1 0.634 80.6 115.1-101.4 -16.9 42.2 -32.8 15.5 32 34 A C S S- 0 0 2 -3,-0.4 -3,-0.0 1,-0.1 5,-0.0 -0.219 74.3-100.5 -64.6 145.1 44.2 -36.1 15.1 33 35 A P >> - 0 0 62 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.292 30.0-114.4 -65.9 146.6 47.7 -36.2 16.7 34 36 A F H 3> S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -2,-0.1 0.820 113.6 59.4 -49.1 -35.8 50.6 -35.7 14.3 35 37 A E H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.882 101.1 52.1 -67.4 -39.3 51.8 -39.3 14.9 36 38 A D H <> S+ 0 0 70 -3,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.878 110.9 49.4 -63.6 -36.8 48.5 -40.9 13.7 37 39 A H H X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.909 104.0 57.5 -71.6 -41.9 48.8 -38.8 10.5 38 40 A V H X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.914 106.4 51.6 -50.3 -44.6 52.4 -39.8 9.8 39 41 A K H X S+ 0 0 66 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.915 109.6 48.0 -63.3 -45.8 51.4 -43.5 9.8 40 42 A L H X S+ 0 0 17 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.946 110.3 50.9 -58.6 -51.0 48.6 -42.9 7.3 41 43 A V H X S+ 0 0 7 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.932 111.0 51.0 -53.6 -46.8 50.8 -40.9 4.9 42 44 A N H X S+ 0 0 74 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.864 110.4 48.3 -62.0 -38.1 53.3 -43.8 5.2 43 45 A E H X S+ 0 0 84 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.985 114.0 44.4 -66.4 -53.9 50.7 -46.4 4.3 44 46 A V H X S+ 0 0 21 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.942 114.5 51.0 -53.5 -48.9 49.3 -44.5 1.3 45 47 A T H X S+ 0 0 6 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.868 108.4 51.3 -59.4 -42.2 52.9 -43.8 0.2 46 48 A E H >X S+ 0 0 144 -4,-2.4 4,-2.1 2,-0.2 3,-0.7 0.979 110.9 48.3 -53.1 -57.8 53.9 -47.6 0.5 47 49 A F H 3X S+ 0 0 45 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.836 106.4 58.3 -55.8 -36.0 50.8 -48.6 -1.6 48 50 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.3 0.913 106.0 48.3 -59.5 -42.7 51.8 -46.0 -4.2 49 51 A K H < - 0 0 95 -4,-1.5 3,-1.3 -5,-0.2 -1,-0.2 -0.711 57.5-172.8-154.7 106.6 53.2 -53.0 -10.7 55 57 A E T 3 S+ 0 0 77 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.451 84.7 63.3 -82.0 -4.0 49.9 -51.5 -12.0 56 58 A S T 3 S+ 0 0 66 -5,-0.1 -1,-0.3 4,-0.1 3,-0.2 0.484 74.8 122.4 -91.2 -7.4 48.0 -54.9 -11.9 57 59 A A S X S- 0 0 16 -3,-1.3 3,-2.3 1,-0.2 4,-0.3 -0.246 83.2 -76.7 -58.9 143.3 48.4 -55.2 -8.1 58 60 A E T 3 S+ 0 0 67 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.095 114.5 1.2 -42.5 125.4 45.1 -55.5 -6.3 59 61 A N T > S+ 0 0 68 -3,-0.2 3,-1.2 1,-0.1 -1,-0.3 0.339 89.1 118.7 83.8 -6.2 43.4 -52.1 -6.0 60 62 A a T < S+ 0 0 0 -3,-2.3 -55,-0.5 1,-0.2 -54,-0.3 0.635 72.0 60.3 -68.7 -14.6 45.9 -49.9 -8.0 61 63 A D T 3 S+ 0 0 117 -4,-0.3 -1,-0.2 -58,-0.2 -57,-0.1 0.513 79.4 107.5 -91.1 -7.3 43.3 -49.1 -10.6 62 64 A K S < S- 0 0 75 -3,-1.2 -57,-0.4 1,-0.1 -58,-0.3 -0.390 81.2 -96.7 -67.1 151.7 40.9 -47.4 -8.1 63 65 A S >> - 0 0 41 1,-0.1 4,-2.5 -59,-0.1 3,-0.5 -0.368 26.9-115.1 -68.1 146.5 40.6 -43.6 -8.3 64 66 A L H 3> S+ 0 0 21 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.896 118.0 56.3 -42.8 -50.2 42.7 -41.5 -5.9 65 67 A H H 3> S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 108.6 44.8 -47.0 -51.5 39.4 -40.3 -4.4 66 68 A T H <> S+ 0 0 40 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.922 114.8 48.5 -65.4 -42.4 38.3 -43.8 -3.6 67 69 A L H X S+ 0 0 27 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.944 114.8 44.1 -67.3 -46.5 41.7 -44.7 -2.2 68 70 A F H X S+ 0 0 34 -4,-3.4 4,-2.6 -5,-0.2 -1,-0.2 0.919 114.5 50.3 -63.8 -38.9 41.9 -41.6 -0.0 69 71 A G H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.955 109.5 48.6 -67.8 -48.5 38.3 -42.0 1.1 70 72 A D H X S+ 0 0 62 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.899 112.1 52.2 -56.1 -38.5 38.6 -45.6 2.1 71 73 A K H >X S+ 0 0 44 -4,-2.0 3,-0.8 -5,-0.2 4,-0.6 0.915 108.1 48.9 -64.4 -45.5 41.8 -44.6 4.0 72 74 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.958 107.9 55.2 -58.9 -48.7 40.0 -41.9 5.9 73 75 A b H 3< S+ 0 0 38 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.642 100.2 63.7 -60.3 -15.0 37.2 -44.3 6.8 74 76 A T H << S+ 0 0 89 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.730 70.9 122.7 -76.2 -26.5 39.9 -46.6 8.3 75 77 A V X< - 0 0 18 -3,-2.0 3,-1.0 -4,-0.6 4,-0.3 -0.114 59.7-142.5 -52.3 131.5 41.0 -44.2 11.0 76 78 A A T 3 S+ 0 0 105 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.712 100.0 41.1 -67.9 -24.0 40.6 -45.9 14.5 77 79 A T T 3>>S+ 0 0 40 1,-0.1 4,-3.2 2,-0.1 5,-0.8 0.316 82.9 109.9-101.9 6.7 39.5 -42.6 16.2 78 80 A L H <>5S+ 0 0 9 -3,-1.0 4,-1.5 1,-0.2 5,-0.4 0.897 86.2 33.7 -54.7 -52.4 37.2 -41.5 13.4 79 81 A R H >5S+ 0 0 143 -4,-0.3 4,-1.6 3,-0.2 -1,-0.2 0.941 122.4 48.1 -66.7 -49.2 33.9 -42.1 15.2 80 82 A A H 45S+ 0 0 91 -4,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.966 126.8 23.3 -57.7 -60.2 35.3 -41.2 18.6 81 83 A T H <5S+ 0 0 58 -4,-3.2 -3,-0.2 1,-0.1 -2,-0.2 0.935 134.1 33.6 -74.0 -49.6 37.0 -37.9 17.6 82 84 A Y H ><< S+ 0 0 27 -4,-1.6 3,-2.8 -5,-0.4 4,-0.2 -0.241 70.2 20.0 55.0-119.5 31.6 -38.1 15.3 84 86 A E G >> S+ 0 0 126 1,-0.3 3,-1.8 2,-0.2 4,-0.7 0.686 107.8 77.9 -69.5 -17.5 29.1 -37.7 12.5 85 87 A L G X4 S+ 0 0 10 -3,-1.8 3,-1.4 1,-0.3 4,-0.4 0.906 86.4 66.2 -48.2 -38.8 31.9 -37.3 10.0 86 88 A A G X4 S+ 0 0 14 -3,-2.8 3,-1.0 -8,-0.3 4,-0.3 0.762 88.7 64.7 -54.7 -27.7 31.9 -41.2 10.4 87 89 A D G X4 S+ 0 0 84 -3,-1.8 3,-1.4 1,-0.2 4,-0.3 0.798 87.8 69.3 -66.2 -29.6 28.3 -41.3 8.8 88 90 A c G X< S+ 0 0 0 -3,-1.4 3,-2.1 -4,-0.7 -1,-0.2 0.791 84.6 71.0 -55.8 -28.7 29.8 -40.1 5.6 89 91 A b G < S+ 0 0 33 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.745 88.6 61.7 -69.4 -22.8 31.6 -43.5 5.3 90 92 A E G < S+ 0 0 153 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.642 93.8 82.8 -68.8 -18.0 28.3 -45.1 4.6 91 93 A K S < S- 0 0 86 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.0 -0.336 76.2-126.0 -88.1 171.4 27.9 -43.0 1.4 92 94 A Q >> - 0 0 136 -2,-0.1 4,-1.3 1,-0.0 3,-1.0 -0.770 43.4 -54.6-115.4 157.7 29.4 -43.7 -2.0 93 95 A E T 34 S+ 0 0 51 1,-0.3 -1,-0.0 -2,-0.3 -27,-0.0 -0.481 118.1 23.9 -72.3 147.8 31.5 -41.5 -4.2 94 96 A P T 3> S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 -0.998 127.4 50.1 -80.4 -2.0 31.2 -38.8 -5.2 95 97 A E H <> S+ 0 0 87 -3,-1.0 4,-2.4 1,-0.2 -2,-0.3 0.803 102.8 62.8 -67.1 -30.8 28.7 -38.1 -2.3 96 98 A R H X S+ 0 0 15 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.951 106.3 42.2 -59.2 -52.3 31.2 -39.4 0.3 97 99 A N H > S+ 0 0 9 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.921 112.2 54.5 -64.1 -44.0 33.8 -36.7 -0.5 98 100 A E H X S+ 0 0 124 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.928 110.6 47.9 -48.3 -47.1 31.1 -34.0 -0.7 99 101 A c H X S+ 0 0 16 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.885 110.9 49.5 -68.6 -42.8 30.0 -35.1 2.7 100 102 A F H >< S+ 0 0 3 -4,-2.5 3,-0.6 2,-0.2 4,-0.3 0.948 108.3 54.9 -56.7 -47.0 33.6 -35.1 4.1 101 103 A L H >< S+ 0 0 20 -4,-3.3 3,-1.8 1,-0.3 -2,-0.2 0.896 102.8 55.1 -59.6 -38.7 34.1 -31.6 2.7 102 104 A T H 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.877 103.6 57.3 -60.8 -36.3 31.1 -30.2 4.4 103 105 A H T << S+ 0 0 65 -4,-1.3 -1,-0.3 -3,-0.6 2,-0.3 0.411 76.1 114.3 -84.0 6.9 32.5 -31.4 7.7 104 106 A K < - 0 0 5 -3,-1.8 2,-0.6 -4,-0.3 -76,-0.1 -0.591 68.9-129.8 -69.5 137.6 35.8 -29.4 7.3 105 107 A D - 0 0 65 -78,-0.3 -2,-0.1 -2,-0.3 -1,-0.1 -0.829 23.5-172.2 -99.4 117.1 35.8 -26.9 10.1 106 108 A D S S+ 0 0 26 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.707 88.8 42.5 -81.3 -18.6 36.5 -23.3 9.2 107 109 A H + 0 0 78 1,-0.1 -1,-0.2 353,-0.1 36,-0.1 -0.587 67.3 157.4-121.8 68.4 36.7 -22.1 12.8 108 110 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.678 37.0-147.4 -69.7 -20.2 38.7 -25.0 14.5 109 111 A N + 0 0 133 1,-0.2 -2,-0.1 33,-0.1 3,-0.1 0.938 31.7 167.6 51.4 59.2 39.9 -22.8 17.5 110 112 A L - 0 0 37 1,-0.1 -1,-0.2 32,-0.1 3,-0.1 -0.668 48.3 -75.3 -96.2 157.1 43.2 -24.4 18.0 111 113 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.271 60.3 -97.2 -55.7 135.6 45.9 -22.9 20.2 112 114 A K - 0 0 78 1,-0.1 2,-0.7 -3,-0.1 0, 0.0 -0.341 33.9-129.3 -62.1 118.5 47.6 -19.9 18.5 113 115 A L + 0 0 63 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.566 39.5 172.3 -73.2 109.8 50.9 -20.9 16.8 114 116 A K - 0 0 56 -2,-0.7 2,-0.2 2,-0.0 66,-0.0 -0.913 38.0 -96.3-123.1 150.3 53.5 -18.5 18.0 115 117 A P + 0 0 44 0, 0.0 61,-0.0 0, 0.0 4,-0.0 -0.448 34.6 176.7 -69.5 127.4 57.3 -18.3 17.7 116 118 A E > - 0 0 116 -2,-0.2 4,-2.8 1,-0.2 3,-0.3 -0.607 8.4-176.1-130.6 68.7 59.2 -19.8 20.7 117 119 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.718 80.1 43.2 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59.4 179.1-152.3 105.8 63.9 -34.1 15.4 128 130 A P H > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.853 82.1 54.9 -71.9 -40.3 63.8 -32.1 12.1 129 131 A D H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.957 112.1 44.1 -61.0 -51.9 61.6 -34.4 10.0 130 132 A K H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.838 112.0 58.6 -56.1 -33.6 58.9 -34.3 12.6 131 133 A F H X S+ 0 0 25 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.885 111.0 36.5 -66.7 -45.1 59.6 -30.5 12.8 132 134 A L H X S+ 0 0 44 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.767 118.7 51.3 -81.5 -27.7 58.8 -29.8 9.1 133 135 A G H X S+ 0 0 10 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.923 108.7 51.9 -67.2 -45.5 56.0 -32.3 9.0 134 136 A K H X S+ 0 0 91 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.908 105.0 55.8 -59.1 -39.8 54.5 -30.7 12.1 135 137 A Y H X S+ 0 0 20 -4,-1.4 4,-2.4 1,-0.2 5,-0.3 0.933 111.1 42.8 -59.4 -50.6 54.6 -27.3 10.5 136 138 A L H X S+ 0 0 16 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.903 114.9 52.8 -58.3 -43.8 52.6 -28.5 7.5 137 139 A Y H X S+ 0 0 10 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.909 111.2 44.8 -58.9 -43.6 50.3 -30.4 9.8 138 140 A E H X S+ 0 0 48 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.859 115.7 45.0 -74.4 -38.9 49.6 -27.4 12.0 139 141 A V H X S+ 0 0 3 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.941 114.1 50.7 -70.4 -43.4 49.0 -25.0 9.2 140 142 A A H < S+ 0 0 0 -4,-2.7 3,-0.3 -5,-0.3 6,-0.3 0.918 109.5 48.4 -61.1 -47.6 46.8 -27.5 7.3 141 143 A R H < S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.1 48.3 -65.8 -34.4 44.6 -28.3 10.3 142 144 A R H < S+ 0 0 37 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 121.5 36.1 -73.5 -24.9 44.1 -24.6 11.0 143 145 A H >< - 0 0 33 -4,-1.7 3,-2.2 -3,-0.3 -1,-0.2 -0.728 69.2-176.8-133.0 86.0 43.3 -23.9 7.3 144 146 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 0.574 83.6 42.0 -70.2 -10.1 41.3 -26.8 5.9 145 147 A Y T 3 S+ 0 0 27 45,-0.1 52,-0.1 -39,-0.1 3,-0.1 0.204 80.4 145.6-113.6 14.5 41.1 -25.4 2.3 146 148 A F < - 0 0 3 -3,-2.2 2,-0.5 -6,-0.3 44,-0.1 -0.246 65.1 -95.1 -54.6 139.7 44.7 -24.1 2.2 147 149 A Y >> - 0 0 13 42,-0.2 4,-1.4 1,-0.1 3,-0.7 -0.383 37.8-142.1 -64.6 107.2 46.2 -24.4 -1.3 148 150 A G H >> S+ 0 0 0 -2,-0.5 4,-1.5 1,-0.3 3,-1.1 0.824 92.2 39.0 -40.1 -68.3 48.1 -27.7 -1.2 149 151 A P H 3> S+ 0 0 6 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.824 112.7 58.8 -60.8 -31.2 51.3 -27.1 -3.2 150 152 A E H <> S+ 0 0 6 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.804 101.3 55.6 -65.7 -29.6 51.6 -23.5 -1.8 151 153 A L H XX S+ 0 0 0 -4,-1.4 4,-2.3 -3,-1.1 3,-0.6 0.958 103.1 53.5 -69.4 -45.4 51.8 -25.0 1.8 152 154 A L H 3X S+ 0 0 11 -4,-1.5 4,-1.3 1,-0.3 -1,-0.2 0.800 108.7 52.8 -52.8 -31.8 54.7 -27.2 0.9 153 155 A F H 3X S+ 0 0 13 -4,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.846 105.7 50.2 -73.4 -38.6 56.4 -24.1 -0.3 154 156 A H H < S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 -3,-0.2 0.798 101.7 68.6 -80.5 -31.3 68.9 -18.1 12.3 166 168 A d T 3< S+ 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 5,-0.2 0.743 96.8 55.3 -63.6 -29.9 69.4 -21.0 14.9 167 169 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.789 91.4 89.5 -67.3 -33.9 73.2 -21.1 14.6 168 170 A A S < S- 0 0 54 -3,-0.6 3,-0.4 -4,-0.4 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2,-0.2 -0.084 29.1-108.4 -48.5 146.2 18.7 -4.4 21.6 497 499 A K - 0 0 94 34,-1.8 3,-0.1 31,-0.1 2,-0.0 -0.584 45.5-103.6 -74.3 138.6 20.2 -7.4 23.3 498 500 A E - 0 0 160 -2,-0.2 -1,-0.1 1,-0.1 34,-0.1 -0.376 42.3 -94.5 -73.7 149.6 19.4 -7.2 26.9 499 501 A F - 0 0 50 33,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.259 37.4-173.5 -61.3 143.6 22.1 -6.1 29.3 500 502 A K >> - 0 0 87 1,-0.1 3,-1.2 -3,-0.1 4,-0.6 -0.879 14.0-158.5-143.0 105.7 24.2 -8.7 31.0 501 503 A A G >4 S+ 0 0 40 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.837 91.8 61.5 -51.9 -40.8 26.7 -7.4 33.6 502 504 A E G >4 S+ 0 0 143 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.862 94.3 63.4 -56.0 -37.7 28.8 -10.5 33.3 503 505 A T G <4 S+ 0 0 60 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.746 110.9 36.9 -61.6 -26.3 29.5 -9.7 29.7 504 506 A F G << S+ 0 0 7 -3,-1.6 2,-0.5 -4,-0.6 -1,-0.3 0.144 93.7 110.2-111.0 19.2 31.2 -6.5 30.7 505 507 A T < - 0 0 46 -3,-1.8 2,-0.3 -4,-0.1 60,-0.0 -0.831 48.8-164.8-101.4 123.4 32.9 -7.8 33.9 506 508 A F - 0 0 21 -2,-0.5 2,-0.3 59,-0.2 63,-0.1 -0.779 5.2-170.3-108.7 158.9 36.7 -8.2 33.8 507 509 A H > - 0 0 102 -2,-0.3 3,-1.7 62,-0.0 4,-0.2 -0.878 41.0 -93.0-140.2 165.3 39.0 -10.2 36.1 508 510 A A G > S+ 0 0 23 -2,-0.3 3,-2.2 1,-0.3 4,-0.5 0.625 106.2 81.6 -59.6 -18.7 42.7 -10.4 36.7 509 511 A D G > S+ 0 0 118 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.807 82.6 67.4 -65.3 -22.1 43.2 -13.5 34.3 510 512 A I G X S+ 0 0 5 -3,-1.7 3,-1.3 1,-0.2 -1,-0.3 0.758 86.2 69.7 -56.7 -29.8 43.3 -11.0 31.5 511 513 A p G < S+ 0 0 19 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 97.2 50.0 -66.4 -26.9 46.6 -9.6 32.8 512 514 A T G < S+ 0 0 115 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.386 89.9 105.4 -93.5 0.9 48.5 -12.7 31.8 513 515 A L S < S- 0 0 40 -3,-1.3 5,-0.1 -4,-0.2 -3,-0.0 -0.556 82.0 -97.2 -74.4 146.8 47.2 -12.8 28.3 514 516 A P > - 0 0 62 0, 0.0 4,-2.5 0, 0.0 3,-0.2 -0.171 41.9-105.5 -48.1 153.0 49.2 -11.8 25.2 515 517 A E H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 121.4 49.7 -53.0 -46.1 48.6 -8.2 24.1 516 518 A D H > S+ 0 0 81 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.848 111.0 48.7 -69.8 -31.9 46.6 -9.3 21.1 517 519 A E H > S+ 0 0 75 -3,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.818 109.1 54.9 -72.8 -31.4 44.5 -11.6 23.2 518 520 A K H X S+ 0 0 37 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.952 109.4 46.5 -59.8 -48.7 44.1 -8.7 25.6 519 521 A Q H X S+ 0 0 34 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.882 107.5 57.3 -65.0 -37.7 42.8 -6.5 22.8 520 522 A I H X S+ 0 0 62 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.928 106.6 48.5 -62.3 -40.0 40.5 -9.3 21.6 521 523 A K H X S+ 0 0 112 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.914 115.6 44.5 -65.6 -40.6 38.8 -9.4 25.0 522 524 A K H X S+ 0 0 20 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.889 113.4 50.2 -68.5 -39.2 38.4 -5.6 25.0 523 525 A Q H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.828 107.1 54.4 -71.0 -29.5 37.2 -5.6 21.4 524 526 A S H X S+ 0 0 31 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.886 106.4 52.2 -68.5 -35.6 34.7 -8.2 22.2 525 527 A A H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.938 106.3 55.1 -65.7 -42.8 33.4 -6.0 25.0 526 528 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 3,-0.5 0.959 105.9 50.1 -50.3 -55.9 33.1 -3.2 22.4 527 529 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.908 111.1 49.6 -55.3 -40.4 30.9 -5.3 20.1 528 530 A E H X S+ 0 0 32 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.871 105.1 56.8 -70.9 -31.6 28.6 -6.2 22.9 529 531 A L H X S+ 0 0 6 -4,-2.2 4,-2.1 -3,-0.5 -1,-0.2 0.909 109.6 47.6 -61.4 -38.4 28.3 -2.6 24.0 530 532 A V H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.928 108.9 52.3 -69.0 -44.1 27.1 -2.0 20.5 531 533 A K H < S+ 0 0 8 -4,-2.5 -34,-1.8 1,-0.2 -2,-0.2 0.872 116.2 40.7 -60.8 -37.7 24.6 -4.9 20.5 532 534 A H H < S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 131.1 24.4 -78.1 -34.5 23.1 -3.6 23.8 533 535 A K S >< S+ 0 0 19 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 -0.698 70.9 163.3-131.5 73.8 23.1 0.1 22.9 534 536 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 0.775 71.0 59.1 -72.7 -23.3 23.1 0.2 19.1 535 537 A K T 3 S+ 0 0 154 45,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.490 79.8 113.6 -83.8 -4.7 22.0 3.8 18.8 536 538 A A S < S- 0 0 1 -3,-1.2 2,-0.1 -6,-0.2 44,-0.1 -0.392 72.3-112.7 -65.1 142.8 25.0 5.0 20.7 537 539 A T > - 0 0 58 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.390 17.6-116.8 -77.7 158.6 27.5 7.1 18.7 538 540 A K H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 117.3 56.3 -60.3 -34.6 30.9 5.9 17.8 539 541 A E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 108.5 45.1 -67.0 -43.6 32.3 8.8 19.8 540 542 A Q H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 114.5 50.9 -61.0 -40.2 30.4 7.7 23.0 541 543 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.897 107.5 52.2 -65.3 -38.1 31.5 4.1 22.3 542 544 A K H X S+ 0 0 116 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.942 110.1 49.3 -65.4 -43.3 35.2 5.1 21.9 543 545 A T H X S+ 0 0 85 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.909 110.3 49.0 -59.5 -45.8 35.0 6.9 25.3 544 546 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.926 111.9 49.0 -61.0 -44.1 33.5 4.0 27.1 545 547 A L H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.909 107.2 55.7 -62.6 -41.4 36.1 1.6 25.7 546 548 A G H X S+ 0 0 36 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.892 107.2 51.2 -55.8 -40.6 38.8 4.0 26.7 547 549 A N H X S+ 0 0 77 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.909 110.3 46.6 -68.1 -39.3 37.5 3.8 30.2 548 550 A F H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.873 113.8 50.1 -64.7 -34.5 37.5 -0.0 30.3 549 551 A S H X S+ 0 0 38 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.888 110.0 47.9 -74.0 -41.7 41.0 0.0 28.8 550 552 A A H X S+ 0 0 61 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.899 113.0 51.7 -62.9 -38.9 42.3 2.5 31.4 551 553 A F H X S+ 0 0 9 -4,-2.1 4,-2.2 -5,-0.2 5,-0.3 0.953 110.6 46.4 -64.6 -49.1 40.6 0.3 34.0 552 554 A V H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.946 111.7 50.6 -60.9 -46.4 42.2 -2.9 32.8 553 555 A A H X S+ 0 0 68 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.914 113.0 46.7 -56.0 -46.9 45.7 -1.3 32.5 554 556 A K H >X S+ 0 0 118 -4,-2.1 3,-1.1 1,-0.2 4,-0.7 0.940 113.6 45.3 -62.6 -52.1 45.5 0.1 36.1 555 557 A q H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.837 109.9 55.7 -66.8 -29.9 44.3 -3.1 37.8 556 558 A p H 3< S+ 0 0 27 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.671 109.6 48.2 -75.7 -12.6 46.8 -5.1 35.9 557 559 A G H << S+ 0 0 65 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.496 90.7 110.0 -99.3 -7.1 49.5 -2.9 37.3 558 560 A R S << S- 0 0 29 -4,-0.7 3,-0.4 -3,-0.6 4,-0.1 -0.305 73.8-129.6 -69.0 150.9 48.2 -3.1 40.9 559 561 A E S S+ 0 0 204 1,-0.3 2,-1.0 2,-0.1 -1,-0.1 0.984 111.8 37.3 -58.8 -55.4 50.0 -4.9 43.6 560 562 A D S > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 -0.781 76.7 177.3 -98.9 92.1 46.7 -6.8 44.4 561 563 A K H > S+ 0 0 77 -2,-1.0 4,-2.1 -3,-0.4 -1,-0.2 0.923 76.1 49.7 -64.2 -42.1 45.3 -7.3 40.9 562 564 A E H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 108.8 51.2 -70.5 -41.8 42.2 -9.2 42.0 563 565 A A H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.902 109.9 52.9 -59.5 -39.5 41.2 -6.7 44.7 564 566 A q H X S+ 0 0 21 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.955 111.0 43.7 -62.0 -52.7 41.5 -3.9 42.1 565 567 A F H X S+ 0 0 5 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.936 113.9 52.7 -56.0 -46.7 39.2 -5.6 39.5 566 568 A A H < S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.913 118.2 34.9 -57.8 -47.5 36.7 -6.6 42.3 567 569 A E H < S+ 0 0 74 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.942 126.7 36.9 -73.0 -47.1 36.4 -2.9 43.6 568 570 A E H >X S+ 0 0 73 -4,-3.0 4,-1.5 -5,-0.3 3,-0.9 0.876 101.0 72.9 -81.8 -38.8 36.7 -1.1 40.3 569 571 A G H >X S+ 0 0 5 -4,-2.8 4,-2.2 -5,-0.4 3,-0.6 0.877 93.9 49.1 -40.8 -66.6 34.8 -3.4 37.9 570 572 A P H 3> S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.763 105.5 60.5 -52.4 -29.4 31.2 -2.7 39.0 571 573 A K H <> S+ 0 0 64 -3,-0.9 4,-2.7 -4,-0.4 5,-0.3 0.955 109.0 42.1 -64.8 -50.2 31.7 1.0 38.8 572 574 A L H X S+ 0 0 52 -4,-2.5 4,-0.9 -5,-0.2 3,-0.8 0.990 116.4 40.4 -60.7 -63.0 27.4 0.8 36.0 575 577 A S H 3X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.804 105.1 67.7 -63.2 -34.3 28.6 4.1 34.5 576 578 A S H 3X S+ 0 0 6 -4,-3.2 4,-1.3 -5,-0.3 -1,-0.2 0.909 96.0 56.0 -45.6 -51.3 29.1 2.5 31.0 577 579 A Q H X< S+ 0 0 82 -4,-1.1 3,-0.9 -3,-0.8 -1,-0.2 0.952 111.2 41.4 -50.6 -54.2 25.3 2.0 30.7 578 580 A L H >< S+ 0 0 144 -4,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.816 107.7 61.7 -69.0 -29.7 24.5 5.7 31.3 579 581 A A H 3< S+ 0 0 50 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.789 104.4 50.4 -66.2 -23.2 27.4 6.9 29.1 580 582 A L T << 0 0 8 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.213 360.0 360.0-100.4 14.3 25.8 5.1 26.1 581 583 A A < 0 0 125 -3,-1.3 -48,-0.0 -45,-0.1 -3,-0.0 -0.323 360.0 360.0 -64.5 360.0 22.3 6.6 26.4