==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 08-AUG-00 1GCV . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUSTELUS GRISEUS; . AUTHOR Y.NAOI,K.T.CHONG,K.YOSHIMATSU,G.MIYAZAKI,J.R.H.TAME, . 552 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 77.5 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 . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 4 0 0 0 0 4 0 0 0 2 1 5 4 2 2 4 0 0 0 0 0 0 0 0 0 0 0 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 1 A A 0 0 117 0, 0.0 2,-0.5 0, 0.0 125,-0.0 0.000 360.0 360.0 360.0 45.5 -11.8 -50.0 59.5 2 2 A F - 0 0 42 71,-0.1 121,-0.0 72,-0.0 5,-0.0 -0.941 360.0-147.6-123.9 113.9 -10.7 -49.0 63.0 3 3 A T > - 0 0 78 -2,-0.5 4,-1.6 1,-0.1 3,-0.2 -0.188 33.0-105.6 -68.6 165.5 -7.0 -48.9 64.0 4 4 A A H > S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.795 121.7 57.0 -63.3 -27.5 -5.8 -49.8 67.5 5 5 A C H > S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.878 107.4 45.2 -71.1 -39.7 -5.3 -46.1 68.2 6 6 A E H > S+ 0 0 29 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.778 108.1 60.3 -74.2 -26.1 -9.0 -45.2 67.3 7 7 A K H X S+ 0 0 70 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.860 104.7 48.0 -67.9 -38.7 -10.1 -48.2 69.4 8 8 A Q H X S+ 0 0 142 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.879 112.6 47.4 -71.4 -39.5 -8.5 -46.7 72.5 9 9 A T H X S+ 0 0 32 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.926 113.4 48.9 -66.6 -45.0 -10.0 -43.2 72.0 10 10 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.944 112.5 46.8 -59.7 -50.1 -13.4 -44.7 71.4 11 11 A G H X S+ 0 0 33 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.859 111.7 52.2 -61.3 -35.1 -13.3 -46.9 74.5 12 12 A K H X S+ 0 0 94 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.856 112.5 45.1 -69.0 -34.9 -12.1 -43.9 76.5 13 13 A I H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.819 107.4 57.1 -78.5 -31.4 -15.0 -41.9 75.2 14 14 A A H X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.802 103.5 56.9 -67.3 -27.8 -17.6 -44.7 75.8 15 15 A Q H X S+ 0 0 114 -4,-1.2 4,-0.6 -5,-0.2 -1,-0.2 0.893 107.1 47.1 -67.6 -43.4 -16.4 -44.6 79.5 16 16 A V H >X S+ 0 0 46 -4,-1.0 3,-0.7 1,-0.2 4,-0.5 0.901 112.9 47.6 -65.5 -45.9 -17.3 -40.9 79.8 17 17 A L H >< S+ 0 0 6 -4,-2.0 3,-0.7 1,-0.2 7,-0.2 0.825 102.8 63.6 -67.1 -32.8 -20.7 -41.2 78.3 18 18 A A H 3< S+ 0 0 45 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.751 89.5 70.7 -64.0 -24.4 -21.5 -44.3 80.4 19 19 A K H << S+ 0 0 160 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.888 122.2 3.6 -60.1 -44.6 -21.3 -42.2 83.5 20 20 A S S+ 0 0 7 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.877 78.0 52.3 -52.7 -46.9 -26.3 -41.5 79.6 22 22 A E H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.898 109.4 47.6 -60.5 -45.3 -29.5 -39.6 80.2 23 23 A A H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.944 117.5 40.7 -63.9 -50.3 -27.9 -36.2 80.6 24 24 A Y H X S+ 0 0 29 -4,-1.9 4,-2.2 -7,-0.2 -2,-0.2 0.932 117.7 48.3 -63.5 -47.5 -25.6 -36.4 77.6 25 25 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.861 109.3 52.7 -62.2 -38.2 -28.3 -38.1 75.4 26 26 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.902 110.1 48.5 -64.8 -41.7 -30.9 -35.5 76.4 27 27 A E H X S+ 0 0 32 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.894 109.0 53.7 -65.8 -39.2 -28.5 -32.7 75.4 28 28 A C H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.924 111.0 45.4 -60.4 -46.3 -27.8 -34.4 72.1 29 29 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.861 108.8 56.2 -67.0 -36.8 -31.5 -34.6 71.2 30 30 A A H X S+ 0 0 2 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.862 107.3 49.0 -64.4 -36.3 -32.2 -31.0 72.3 31 31 A R H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.901 111.9 49.6 -69.0 -39.5 -29.5 -29.7 69.8 32 32 A L H X S+ 0 0 10 -4,-1.6 4,-3.0 1,-0.2 7,-0.3 0.911 109.7 50.4 -64.6 -43.4 -31.1 -31.9 67.1 33 33 A F H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.795 114.8 44.8 -66.9 -27.5 -34.5 -30.6 67.8 34 34 A V H < S+ 0 0 63 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.908 122.1 35.1 -82.0 -43.9 -33.3 -27.0 67.7 35 35 A T H < S+ 0 0 16 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.769 131.5 28.5 -82.3 -27.7 -31.1 -27.3 64.6 36 36 A H >< + 0 0 66 -4,-3.0 3,-2.2 -5,-0.3 -1,-0.2 -0.637 66.6 175.8-135.3 76.1 -33.4 -29.8 62.6 37 37 A P G > S+ 0 0 33 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.755 72.9 73.3 -51.3 -32.0 -37.0 -29.2 63.8 38 38 A G G > S+ 0 0 9 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.782 85.4 66.5 -57.3 -26.0 -38.3 -31.7 61.3 39 39 A S G X S+ 0 0 3 -3,-2.2 3,-1.1 -7,-0.3 -1,-0.3 0.639 82.8 73.6 -71.9 -12.6 -36.9 -34.4 63.5 40 40 A K G X S+ 0 0 47 -3,-2.4 3,-1.6 1,-0.2 -1,-0.3 0.721 75.4 86.0 -71.2 -18.2 -39.4 -33.5 66.2 41 41 A S G < S+ 0 0 15 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.657 83.5 54.1 -56.3 -19.9 -42.0 -35.1 64.0 42 42 A Y G < S+ 0 0 42 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.3 0.640 101.9 65.1 -91.3 -15.2 -41.3 -38.6 65.5 43 43 A F < - 0 0 45 -3,-1.6 2,-1.1 -4,-0.2 -1,-0.1 -0.925 62.8-153.2-117.6 133.0 -41.8 -37.6 69.1 44 44 A E + 0 0 159 -2,-0.4 2,-0.3 -3,-0.0 -3,-0.1 -0.638 46.7 143.6 -99.3 73.1 -45.0 -36.5 70.8 45 45 A Y - 0 0 32 -2,-1.1 3,-0.1 -5,-0.2 -2,-0.1 -0.722 47.0-155.4-108.4 160.9 -43.3 -34.5 73.6 46 46 A K S S+ 0 0 211 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.693 91.0 46.8-102.4 -31.4 -44.4 -31.3 75.2 47 47 A D + 0 0 74 1,-0.1 -1,-0.3 2,-0.1 8,-0.3 -0.958 56.8 174.8-115.9 117.1 -40.9 -30.3 76.2 48 48 A Y + 0 0 58 -2,-0.5 -15,-0.2 -3,-0.1 2,-0.1 0.141 51.5 104.5-104.9 16.2 -38.2 -30.7 73.6 49 49 A S S > S- 0 0 49 1,-0.1 3,-1.7 -16,-0.1 6,-0.2 -0.458 91.3 -98.7 -92.1 168.9 -35.5 -29.2 75.8 50 50 A A T 3 S+ 0 0 39 1,-0.3 -23,-0.1 -2,-0.1 -24,-0.1 0.713 121.9 59.4 -59.4 -21.2 -32.7 -31.1 77.6 51 51 A A T 3 S+ 0 0 81 -25,-0.1 -1,-0.3 4,-0.1 -24,-0.0 0.611 75.6 116.7 -85.2 -13.9 -34.9 -30.9 80.8 52 52 A G <> - 0 0 4 -3,-1.7 4,-2.2 1,-0.1 5,-0.1 -0.318 64.1-139.4 -58.8 133.3 -37.8 -32.8 79.3 53 53 A A H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.893 103.3 47.2 -61.4 -41.7 -38.5 -36.1 81.1 54 54 A K H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.832 110.9 51.9 -70.2 -32.2 -39.2 -37.9 77.9 55 55 A V H > S+ 0 0 0 -8,-0.3 4,-3.0 -6,-0.2 5,-0.2 0.882 108.2 52.6 -70.2 -37.8 -36.2 -36.5 76.2 56 56 A Q H X S+ 0 0 63 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 110.2 46.9 -63.4 -45.0 -34.0 -37.6 79.1 57 57 A V H X S+ 0 0 89 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.914 118.1 41.2 -64.2 -44.3 -35.3 -41.2 78.8 58 58 A H H X S+ 0 0 51 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 112.0 55.0 -70.3 -42.3 -34.9 -41.4 75.1 59 59 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.921 109.4 49.9 -56.1 -42.5 -31.5 -39.6 75.2 60 60 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.858 107.5 51.4 -64.5 -39.3 -30.4 -42.2 77.6 61 61 A K H X S+ 0 0 144 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.896 112.1 49.1 -64.8 -40.0 -31.5 -45.1 75.5 62 62 A V H X S+ 0 0 31 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.931 112.9 43.9 -65.7 -48.6 -29.6 -43.6 72.5 63 63 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.882 110.0 55.2 -67.8 -38.1 -26.3 -43.1 74.4 64 64 A R H X S+ 0 0 114 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.917 108.5 49.8 -60.1 -40.8 -26.4 -46.4 76.1 65 65 A A H X S+ 0 0 27 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.845 111.1 49.7 -65.5 -32.8 -26.7 -48.0 72.6 66 66 A V H X S+ 0 0 15 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.928 110.1 49.9 -70.2 -45.2 -23.8 -45.9 71.5 67 67 A V H X S+ 0 0 12 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.917 112.4 47.5 -59.3 -44.2 -21.7 -46.9 74.5 68 68 A K H X S+ 0 0 120 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.852 110.1 51.9 -66.8 -35.1 -22.5 -50.6 73.8 69 69 A A H < S+ 0 0 0 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.892 105.3 56.1 -68.1 -37.9 -21.6 -50.2 70.1 70 70 A A H >< S+ 0 0 9 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.822 108.4 48.8 -62.7 -29.7 -18.3 -48.7 71.1 71 71 A E H 3< S+ 0 0 120 -4,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.728 114.8 43.4 -81.5 -24.6 -17.6 -51.8 73.1 72 72 A H T >< S+ 0 0 87 -4,-1.2 3,-1.7 -3,-0.4 -1,-0.2 -0.140 71.4 131.3-111.4 35.5 -18.6 -54.2 70.2 73 73 A V G X + 0 0 20 -3,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.727 65.8 64.9 -60.6 -21.2 -16.7 -52.2 67.6 74 74 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.703 117.3 24.3 -75.1 -20.7 -15.1 -55.4 66.4 75 75 A D G <> S+ 0 0 81 -3,-1.7 4,-1.5 -6,-0.2 -1,-0.3 -0.434 71.9 150.6-142.3 63.5 -18.5 -56.8 65.3 76 76 A L H <> S+ 0 0 15 -3,-0.7 4,-2.5 1,-0.2 5,-0.2 0.880 70.1 57.5 -64.4 -40.3 -20.7 -53.8 64.7 77 77 A H H 4 S+ 0 0 93 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.889 112.8 36.5 -60.4 -44.9 -22.9 -55.5 62.0 78 78 A S H 4 S+ 0 0 67 2,-0.2 4,-0.3 1,-0.2 3,-0.3 0.797 118.0 53.4 -79.0 -28.6 -24.1 -58.4 64.1 79 79 A H H < S+ 0 0 50 -4,-1.5 3,-0.4 -7,-0.2 4,-0.3 0.893 113.1 39.0 -73.5 -41.7 -24.3 -56.3 67.3 80 80 A L S X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.358 87.1 102.5 -91.0 5.9 -26.6 -53.5 65.9 81 81 A E H > S+ 0 0 83 -3,-0.3 4,-2.5 -4,-0.2 5,-0.2 0.919 82.3 45.7 -54.3 -50.7 -28.7 -55.9 63.8 82 82 A T H > S+ 0 0 102 -3,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.917 115.6 47.4 -61.6 -41.5 -31.6 -55.8 66.3 83 83 A L H > S+ 0 0 57 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.845 111.5 51.7 -67.4 -33.4 -31.4 -52.0 66.5 84 84 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 54,-0.3 0.874 108.7 50.1 -70.5 -38.1 -31.2 -51.8 62.7 85 85 A L H X>S+ 0 0 71 -4,-2.5 4,-2.4 -5,-0.2 5,-0.7 0.872 107.8 55.7 -67.3 -36.3 -34.3 -54.0 62.3 86 86 A T H X>S+ 0 0 47 -4,-1.8 5,-3.5 -5,-0.2 4,-0.9 0.889 113.1 37.9 -63.6 -43.8 -36.2 -51.8 64.8 87 87 A H H <>S+ 0 0 37 -4,-1.6 5,-1.3 3,-0.2 6,-1.2 0.897 124.0 40.5 -75.8 -41.5 -35.6 -48.4 63.0 88 88 A G H <5S+ 0 0 3 -4,-2.1 -2,-0.2 4,-0.2 -3,-0.2 0.791 129.2 24.3 -79.6 -30.2 -36.0 -49.8 59.5 89 89 A K H <5S+ 0 0 127 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.687 135.4 20.5-108.4 -26.1 -38.9 -52.2 60.0 90 90 A K T < - 0 0 0 -2,-0.4 3,-2.1 1,-0.2 4,-0.3 -0.411 25.6-137.1 -58.2 121.5 -36.2 -41.6 57.6 95 95 A P G > S+ 0 0 23 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.688 94.9 80.1 -54.9 -21.8 -32.4 -42.5 57.5 96 96 A Q G 3 S+ 0 0 72 1,-0.2 4,-0.5 2,-0.1 -2,-0.1 0.679 86.9 61.4 -61.9 -14.6 -31.6 -38.9 56.5 97 97 A N G <> S+ 0 0 15 -3,-2.1 4,-2.0 1,-0.1 3,-0.4 0.793 84.8 73.7 -82.5 -30.2 -31.9 -38.1 60.2 98 98 A F H <> S+ 0 0 18 -3,-1.1 4,-1.8 -4,-0.3 3,-0.2 0.911 98.1 45.4 -51.0 -54.1 -29.1 -40.4 61.5 99 99 A P H > S+ 0 0 75 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.810 108.7 59.1 -61.4 -29.9 -26.2 -38.2 60.3 100 100 A M H > S+ 0 0 52 -4,-0.5 4,-1.0 -3,-0.4 -2,-0.2 0.928 108.1 44.1 -64.1 -45.2 -28.0 -35.1 61.7 101 101 A L H X S+ 0 0 30 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.832 106.4 62.1 -69.1 -32.6 -28.0 -36.6 65.2 102 102 A S H X S+ 0 0 11 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.899 102.5 50.1 -60.6 -40.6 -24.4 -37.7 64.8 103 103 A E H X S+ 0 0 37 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.832 109.0 52.0 -67.6 -31.2 -23.3 -34.1 64.4 104 104 A C H X S+ 0 0 2 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.791 106.7 52.6 -74.9 -28.6 -25.2 -33.1 67.5 105 105 A I H X S+ 0 0 8 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.895 109.3 51.3 -70.3 -40.1 -23.5 -35.8 69.6 106 106 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.940 111.3 46.0 -61.9 -47.0 -20.2 -34.4 68.3 107 107 A V H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.895 111.6 52.9 -63.8 -38.4 -21.1 -30.9 69.4 108 108 A T H X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.906 108.4 49.7 -63.5 -41.4 -22.3 -32.3 72.8 109 109 A L H >X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 3,-0.7 0.872 106.7 56.3 -65.4 -36.9 -19.0 -34.0 73.4 110 110 A A H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 105.1 51.0 -64.4 -34.2 -17.1 -30.8 72.5 111 111 A T H 3< S+ 0 0 5 -4,-1.4 140,-0.3 -3,-0.2 -1,-0.2 0.626 123.3 30.2 -79.3 -12.9 -18.9 -28.8 75.2 112 112 A H H << S+ 0 0 72 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.819 96.0 85.8-107.8 -62.2 -18.1 -31.5 77.9 113 113 A L < - 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0 0 104 -3,-0.5 3,-1.6 1,-0.2 -1,-0.1 -0.653 56.2-173.3 -84.2 88.2 -55.4 -44.8 57.2 465 46 D T T 3 S+ 0 0 136 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.0 0.703 77.8 48.3 -54.5 -29.4 -57.6 -47.7 56.3 466 47 D D T 3 S+ 0 0 126 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.085 80.5 144.5-103.1 23.1 -59.4 -46.1 53.3 467 48 D F < - 0 0 56 -3,-1.6 2,-0.4 -6,-0.2 -6,-0.0 -0.378 23.5-178.9 -69.0 137.1 -56.2 -44.8 51.6 468 49 D R > - 0 0 140 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.998 25.0-145.3-136.6 129.0 -56.0 -44.7 47.8 469 50 D S H > S+ 0 0 22 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.895 100.5 51.0 -60.0 -42.8 -53.0 -43.5 45.9 470 51 D S H > S+ 0 0 46 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.804 110.8 48.3 -67.3 -31.4 -55.0 -42.0 43.0 471 52 D I H > S+ 0 0 85 -3,-0.2 4,-1.5 2,-0.2 3,-0.4 0.957 112.7 46.9 -72.7 -51.9 -57.2 -40.0 45.4 472 53 D H H X S+ 0 0 54 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.855 109.0 57.2 -57.3 -37.0 -54.2 -38.6 47.4 473 54 D A H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.878 102.3 52.7 -64.0 -40.1 -52.5 -37.8 44.2 474 55 D G H X S+ 0 0 19 -4,-1.3 4,-1.4 -3,-0.4 -1,-0.2 0.876 111.7 47.8 -63.4 -35.5 -55.3 -35.6 42.9 475 56 D I H X S+ 0 0 116 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.897 112.8 47.1 -71.1 -41.0 -55.1 -33.7 46.2 476 57 D V H X S+ 0 0 31 -4,-2.4 4,-1.6 1,-0.2 3,-0.3 0.928 112.2 49.9 -66.9 -43.3 -51.3 -33.4 46.0 477 58 D V H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.827 102.7 64.0 -63.7 -30.6 -51.6 -32.2 42.3 478 59 D G H X S+ 0 0 31 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.924 104.5 43.8 -58.9 -46.1 -54.2 -29.7 43.4 479 60 D A H X S+ 0 0 28 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.860 113.1 51.3 -68.1 -36.8 -51.6 -27.9 45.6 480 61 D L H X S+ 0 0 10 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.879 108.3 51.8 -67.2 -39.1 -48.9 -28.0 43.0 481 62 D Q H X S+ 0 0 65 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.869 111.1 48.4 -63.8 -38.1 -51.3 -26.5 40.4 482 63 D D H X S+ 0 0 65 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.830 108.9 53.8 -71.1 -31.8 -52.0 -23.8 42.9 483 64 D A H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.810 109.0 48.8 -71.3 -31.4 -48.3 -23.3 43.4 484 65 D V H >< S+ 0 0 18 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.856 107.7 53.4 -76.3 -35.9 -47.9 -22.9 39.7 485 66 D K H 3< S+ 0 0 159 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.864 122.4 32.0 -64.6 -35.4 -50.7 -20.3 39.5 486 67 D H T >< S+ 0 0 89 -4,-1.5 3,-2.1 1,-0.1 -1,-0.3 -0.278 76.4 145.8-114.6 43.0 -48.9 -18.4 42.2 487 68 D M T < + 0 0 14 -3,-1.3 3,-0.4 1,-0.3 -1,-0.1 0.661 67.1 64.2 -55.2 -16.7 -45.3 -19.4 41.1 488 69 D D T 3 S+ 0 0 112 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.695 118.1 18.7 -82.4 -20.5 -44.2 -16.0 42.3 489 70 D D <> + 0 0 72 -3,-2.1 4,-1.7 -6,-0.2 -1,-0.2 -0.338 66.5 146.4-149.3 61.8 -45.0 -16.5 46.0 490 71 D V H > S+ 0 0 4 -3,-0.4 4,-3.2 1,-0.2 5,-0.2 0.870 73.2 64.4 -65.2 -37.4 -45.4 -20.2 46.8 491 72 D K H 4 S+ 0 0 100 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.913 106.9 40.0 -51.1 -52.6 -44.0 -19.6 50.3 492 73 D T H >4 S+ 0 0 91 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.914 115.9 52.0 -64.9 -45.4 -46.9 -17.4 51.3 493 74 D L H 3< S+ 0 0 54 -4,-1.7 3,-0.5 1,-0.2 4,-0.3 0.906 111.4 46.2 -57.8 -46.0 -49.4 -19.6 49.6 494 75 D F T 3X S+ 0 0 8 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.369 80.1 105.2 -82.0 3.2 -48.2 -22.8 51.3 495 76 D K H <> S+ 0 0 108 -3,-1.1 4,-1.9 -4,-0.3 -1,-0.2 0.915 86.3 39.0 -50.7 -51.3 -48.0 -21.3 54.8 496 77 D D H > S+ 0 0 120 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.895 115.6 52.1 -68.7 -39.6 -51.1 -23.1 56.1 497 78 D L H > S+ 0 0 56 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.875 109.2 51.4 -63.1 -37.6 -50.3 -26.4 54.2 498 79 D S H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.909 108.9 49.4 -65.9 -42.6 -46.8 -26.3 55.8 499 80 D K H X>S+ 0 0 76 -4,-1.9 4,-3.0 -5,-0.3 5,-0.7 0.834 108.3 55.7 -65.1 -32.0 -48.3 -25.9 59.3 500 81 D K H X>S+ 0 0 97 -4,-1.8 5,-3.1 2,-0.2 4,-1.3 0.938 110.3 43.2 -64.8 -48.3 -50.6 -28.8 58.6 501 82 D H H <5S+ 0 0 35 -4,-2.0 6,-2.5 3,-0.2 5,-0.3 0.843 121.4 42.0 -67.0 -34.5 -47.8 -31.2 57.7 502 83 D A H <5S+ 0 0 11 -4,-2.1 -2,-0.2 4,-0.2 -3,-0.2 0.963 128.2 22.8 -77.3 -56.2 -45.7 -30.0 60.6 503 84 D D H <5S+ 0 0 89 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.875 134.3 24.5 -83.4 -41.6 -48.3 -29.7 63.4 504 85 D D T < - 0 0 4 -2,-0.4 3,-2.2 1,-0.2 4,-0.3 -0.483 21.9-148.1 -61.5 117.3 -40.8 -35.6 58.4 509 90 D P G > S+ 0 0 24 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.736 94.7 68.9 -62.8 -20.7 -39.9 -32.6 56.1 510 91 D G G 3 S+ 0 0 21 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.552 92.7 60.1 -74.1 -6.0 -36.8 -34.5 55.0 511 92 D S G X> S+ 0 0 7 -3,-2.2 3,-1.1 1,-0.1 4,-0.8 0.586 79.5 86.8 -95.7 -12.8 -39.1 -36.9 53.2 512 93 D F H X> S+ 0 0 24 -3,-1.0 4,-1.6 -4,-0.3 3,-0.9 0.891 86.5 52.3 -54.2 -45.4 -40.7 -34.2 50.9 513 94 D H H 3> S+ 0 0 54 -4,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.696 95.4 69.8 -68.1 -18.3 -37.9 -34.6 48.3 514 95 D L H <> S+ 0 0 6 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.852 105.9 40.6 -66.3 -33.9 -38.4 -38.4 48.0 515 96 D L H < S- 0 0 55 -4,-3.1 3,-3.3 1,-0.2 4,-0.3 0.477 86.7-176.7 -83.0 -2.5 -41.0 -37.7 28.2 528 109 D K G >< S+ 0 0 67 -4,-1.1 3,-1.3 1,-0.3 -1,-0.2 -0.129 73.1 3.8 43.6-118.8 -38.1 -40.2 27.5 529 110 D D G 3 S+ 0 0 130 1,-0.2 -1,-0.3 -140,-0.1 -2,-0.1 0.589 125.6 69.1 -72.3 -8.2 -35.5 -38.3 25.4 530 111 D C G < S+ 0 0 85 -3,-3.3 2,-1.7 1,-0.2 -1,-0.2 0.653 78.2 82.8 -82.8 -15.9 -37.5 -35.0 25.6 531 112 D F S < S- 0 0 0 -3,-1.3 -1,-0.2 -4,-0.3 -142,-0.1 -0.624 73.7-178.2 -88.5 77.7 -36.7 -34.8 29.3 532 113 D T > - 0 0 52 -2,-1.7 4,-3.0 1,-0.1 5,-0.3 -0.292 42.8-103.9 -76.0 160.1 -33.3 -33.2 28.7 533 114 D P H > S+ 0 0 27 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.866 124.7 50.6 -51.7 -37.8 -30.8 -32.3 31.5 534 115 D H H > S+ 0 0 93 2,-0.2 4,-1.0 1,-0.2 -3,-0.0 0.887 111.0 46.7 -68.5 -40.5 -31.8 -28.6 30.9 535 116 D I H >> S+ 0 0 18 -3,-0.2 4,-1.7 1,-0.2 3,-0.5 0.901 110.0 54.5 -68.0 -40.1 -35.5 -29.4 31.2 536 117 D Q H 3X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.852 102.2 58.2 -60.9 -35.3 -34.8 -31.5 34.3 537 118 D G H 3X S+ 0 0 15 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.844 102.5 54.5 -63.8 -32.8 -33.0 -28.5 35.9 538 119 D I H < S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.906 112.9 46.1 -68.6 -42.3 -42.3 -23.5 50.9 550 131 D I H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.631 114.9 48.8 -77.0 -11.4 -43.9 -26.6 52.4 551 132 D S H >< S+ 0 0 28 -4,-1.0 3,-1.4 -3,-0.2 -1,-0.2 0.522 85.1 93.9-102.5 -8.4 -41.0 -26.9 55.0 552 133 D K T << S+ 0 0 81 -4,-0.7 -2,-0.1 -3,-0.5 -1,-0.1 0.848 79.9 52.2 -53.0 -46.4 -41.1 -23.2 56.1 553 134 D Q T 3 S+ 0 0 34 -4,-0.4 2,-0.8 -58,-0.1 -1,-0.2 0.309 74.8 115.8 -80.8 10.2 -43.4 -23.5 59.1 554 135 D Y < 0 0 24 -3,-1.4 -516,-0.2 1,-0.2 -55,-0.1 -0.716 360.0 360.0 -80.4 110.7 -41.5 -26.4 60.9 555 136 D H 0 0 155 -2,-0.8 -1,-0.2 -518,-0.2 -517,-0.1 0.485 360.0 360.0-122.1 360.0 -40.3 -24.8 64.1