==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 26-FEB-04 1SHR . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.SEN,J.DASGUPTA,D.CHOUDHURY,P.DATTA,A.CHAKRABARTI, . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 76.3 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 3 1 1 2 1 0 0 2 1 0 3 3 0 0 7 5 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 V 0 0 38 0, 0.0 2,-0.3 0, 0.0 427,-0.1 0.000 360.0 360.0 360.0 122.5 7.0 7.8 2.5 2 2 A L - 0 0 16 71,-0.1 427,-0.1 125,-0.1 122,-0.0 -0.621 360.0-141.0 -83.7 134.8 8.1 7.0 -1.1 3 3 A S > - 0 0 11 425,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.388 31.9-102.4 -84.8 167.5 9.2 9.7 -3.4 4 4 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.915 126.6 51.1 -57.6 -40.3 8.3 9.7 -7.1 5 5 A A H > S+ 0 0 54 425,-0.3 4,-2.9 1,-0.2 5,-0.2 0.877 105.7 55.1 -64.0 -38.6 11.9 8.5 -7.8 6 6 A D H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 108.7 48.4 -59.5 -44.9 11.4 5.7 -5.3 7 7 A K H X S+ 0 0 58 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.913 112.7 47.1 -62.3 -43.7 8.3 4.5 -7.1 8 8 A T H X S+ 0 0 97 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.913 113.1 49.7 -64.3 -43.4 10.0 4.6 -10.5 9 9 A N H X S+ 0 0 44 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.903 112.4 47.0 -61.7 -44.1 13.0 2.7 -9.0 10 10 A V H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.909 114.1 46.1 -65.4 -44.8 10.8 0.0 -7.4 11 11 A K H X S+ 0 0 97 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.899 115.7 46.4 -65.4 -41.4 8.8 -0.5 -10.6 12 12 A A H X S+ 0 0 49 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.947 116.3 45.2 -65.3 -48.6 11.9 -0.6 -12.8 13 13 A A H X S+ 0 0 11 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.906 113.1 47.8 -63.1 -45.6 13.7 -3.0 -10.4 14 14 A W H X S+ 0 0 20 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.815 108.8 56.1 -68.4 -27.6 10.7 -5.3 -9.9 15 15 A G H < S+ 0 0 56 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.879 106.0 50.7 -68.5 -36.9 10.2 -5.4 -13.6 16 16 A K H < S+ 0 0 126 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 105.8 55.4 -65.6 -40.6 13.8 -6.6 -14.0 17 17 A V H >< S+ 0 0 3 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.886 86.4 150.3 -58.4 -38.8 13.1 -9.3 -11.4 18 18 A G G >< - 0 0 38 -4,-1.6 3,-1.5 1,-0.3 -1,-0.2 -0.054 67.0 -2.1 46.5-131.5 10.3 -10.3 -13.6 19 19 A A G 3 S+ 0 0 104 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.456 123.6 73.4 -71.1 -0.5 9.3 -14.0 -13.6 20 20 A H G <> + 0 0 99 -3,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.437 66.9 97.4 -92.0 0.3 12.1 -14.7 -11.1 21 21 A A H <> S+ 0 0 4 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.918 79.8 53.2 -53.2 -49.4 10.2 -13.1 -8.3 22 22 A G H > S+ 0 0 13 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.906 109.1 48.4 -54.2 -46.2 8.9 -16.4 -7.0 23 23 A E H > S+ 0 0 103 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.916 112.1 48.9 -61.8 -44.2 12.3 -17.9 -6.8 24 24 A Y H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.865 108.9 53.9 -65.5 -34.2 13.7 -14.8 -5.0 25 25 A G H X S+ 0 0 7 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.917 109.9 47.0 -64.9 -42.8 10.7 -15.0 -2.6 26 26 A A H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 112.7 48.9 -64.4 -44.6 11.5 -18.6 -1.7 27 27 A E H X S+ 0 0 32 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.898 107.8 55.1 -63.9 -39.8 15.2 -17.9 -1.2 28 28 A A H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.939 111.1 44.7 -57.8 -47.8 14.4 -14.9 1.0 29 29 A L H X S+ 0 0 6 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.921 113.3 50.6 -61.5 -46.1 12.3 -17.2 3.3 30 30 A E H X S+ 0 0 44 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.918 112.3 46.8 -58.5 -46.0 15.0 -19.9 3.2 31 31 A R H X S+ 0 0 6 -4,-3.2 4,-2.5 1,-0.2 5,-0.3 0.878 113.1 50.3 -64.8 -37.0 17.7 -17.4 4.1 32 32 A M H X S+ 0 0 9 -4,-2.3 4,-2.8 -5,-0.2 7,-0.3 0.938 108.5 49.7 -67.6 -48.0 15.5 -15.9 6.9 33 33 A F H < S+ 0 0 13 -4,-3.0 7,-0.2 1,-0.2 -1,-0.2 0.829 117.2 42.9 -60.6 -32.2 14.7 -19.3 8.5 34 34 A L H < S+ 0 0 69 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 120.2 37.9 -82.1 -43.7 18.4 -20.2 8.5 35 35 A S H < S+ 0 0 18 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.836 130.9 30.0 -76.5 -33.2 19.8 -16.8 9.7 36 36 A F S >< S+ 0 0 38 -4,-2.8 3,-2.6 -5,-0.3 4,-0.3 -0.624 71.3 178.9-129.5 71.4 17.0 -16.1 12.1 37 37 A P G > S+ 0 0 69 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.674 73.5 71.7 -44.4 -30.8 15.7 -19.6 13.3 38 38 A T G > S+ 0 0 64 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.782 84.7 68.9 -62.9 -25.2 13.1 -18.0 15.7 39 39 A T G X S+ 0 0 3 -3,-2.6 3,-1.5 -7,-0.3 -1,-0.3 0.735 84.2 71.7 -65.5 -20.7 11.1 -17.0 12.6 40 40 A K G X S+ 0 0 93 -3,-1.6 3,-2.0 -4,-0.3 -1,-0.3 0.758 79.2 75.6 -66.2 -23.1 10.4 -20.7 12.0 41 41 A T G < S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.617 85.9 63.2 -65.1 -11.8 8.1 -20.7 15.0 42 42 A Y G < S+ 0 0 36 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.617 105.3 46.0 -85.8 -13.3 5.5 -18.8 12.8 43 43 A F X + 0 0 38 -3,-2.0 3,-1.6 -4,-0.2 -1,-0.2 -0.414 66.7 152.8-126.4 57.1 5.3 -21.9 10.5 44 44 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.779 76.3 43.5 -55.8 -35.3 5.0 -24.8 12.9 45 45 A H T 3 S+ 0 0 180 -3,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.302 94.8 102.3 -98.9 9.8 3.1 -27.1 10.5 46 46 A F S < S- 0 0 61 -3,-1.6 2,-1.0 -6,-0.2 -3,-0.1 -0.573 77.3-121.9 -90.6 154.6 5.3 -26.3 7.5 47 47 A D + 0 0 86 -2,-0.2 8,-0.4 1,-0.1 7,-0.2 -0.883 36.9 176.6 -92.1 105.7 8.0 -28.6 6.1 48 48 A L + 0 0 40 -2,-1.0 -1,-0.1 -4,-0.1 3,-0.1 0.258 25.7 135.7 -98.2 10.9 10.8 -26.0 6.4 49 49 A S S > S- 0 0 65 1,-0.1 3,-2.2 2,-0.1 6,-0.2 -0.245 72.7 -83.9 -58.1 147.9 13.6 -28.3 5.2 50 50 A H T 3 S+ 0 0 131 1,-0.3 -1,-0.1 5,-0.0 -2,-0.0 -0.341 119.1 16.6 -56.1 124.4 16.0 -26.6 2.7 51 51 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.526 88.1 168.0 87.7 6.6 14.4 -26.9 -0.8 52 52 A S <> - 0 0 5 -3,-2.2 4,-2.2 1,-0.1 -1,-0.2 -0.246 38.6-140.2 -54.8 136.2 11.0 -27.7 0.6 53 53 A A H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.844 104.2 57.0 -67.1 -33.3 8.2 -27.5 -2.0 54 54 A Q H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 109.3 43.8 -65.4 -40.2 6.0 -25.9 0.6 55 55 A V H > S+ 0 0 11 -8,-0.4 4,-2.4 -6,-0.2 -2,-0.2 0.897 113.3 52.7 -70.0 -40.2 8.5 -23.1 1.2 56 56 A K H X S+ 0 0 153 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.931 112.7 43.5 -60.6 -46.8 9.0 -22.7 -2.6 57 57 A G H X S+ 0 0 39 -4,-2.8 4,-1.5 1,-0.2 3,-0.2 0.894 113.6 51.0 -66.8 -39.8 5.2 -22.4 -3.2 58 58 A H H X S+ 0 0 55 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.863 105.4 56.7 -65.6 -35.2 4.8 -20.1 -0.2 59 59 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.830 103.7 54.4 -64.8 -32.0 7.6 -17.9 -1.5 60 60 A K H X S+ 0 0 98 -4,-1.2 4,-2.6 -3,-0.2 -1,-0.2 0.873 107.1 49.7 -69.1 -39.0 5.7 -17.5 -4.8 61 61 A K H X S+ 0 0 155 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.886 111.0 49.8 -67.3 -37.2 2.7 -16.2 -3.0 62 62 A V H X S+ 0 0 39 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.922 111.6 48.9 -64.9 -44.4 4.8 -13.7 -1.0 63 63 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 108.8 52.7 -61.5 -44.6 6.3 -12.6 -4.3 64 64 A D H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.859 106.9 53.1 -60.6 -35.0 2.9 -12.2 -5.9 65 65 A A H X S+ 0 0 26 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.893 109.5 48.8 -67.8 -38.6 1.8 -10.0 -3.0 66 66 A L H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.896 108.9 52.8 -66.8 -39.3 4.8 -7.8 -3.5 67 67 A T H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.900 109.8 49.1 -61.8 -39.6 4.1 -7.6 -7.3 68 68 A N H X S+ 0 0 64 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.884 109.6 51.8 -66.5 -39.7 0.5 -6.5 -6.4 69 69 A A H < S+ 0 0 0 -4,-2.0 6,-0.2 2,-0.2 -2,-0.2 0.882 108.1 51.6 -64.9 -38.2 1.9 -3.9 -4.0 70 70 A V H >< S+ 0 0 12 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.933 109.1 50.5 -63.6 -44.2 4.2 -2.5 -6.7 71 71 A A H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 122.0 33.5 -65.2 -24.7 1.2 -2.2 -9.0 72 72 A H T >< S+ 0 0 85 -4,-1.3 3,-2.6 -5,-0.1 -1,-0.3 -0.153 74.3 142.5-123.2 38.3 -0.7 -0.4 -6.3 73 73 A V T < S+ 0 0 13 -3,-1.4 3,-0.4 1,-0.3 -71,-0.1 0.679 73.1 52.1 -54.1 -20.4 2.2 1.5 -4.7 74 74 A D T 3 S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.443 120.3 30.6 -96.6 -0.6 -0.0 4.6 -4.2 75 75 A D S <> S+ 0 0 80 -3,-2.6 4,-2.2 -6,-0.2 -1,-0.2 -0.261 71.2 143.8-151.5 50.6 -2.8 2.7 -2.4 76 76 A M H > + 0 0 12 -3,-0.4 4,-3.1 2,-0.2 5,-0.1 0.881 68.7 59.0 -65.1 -41.0 -1.2 -0.2 -0.6 77 77 A P H 4 S+ 0 0 45 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.940 112.6 41.9 -54.8 -43.4 -3.4 -0.2 2.5 78 78 A N H >4 S+ 0 0 113 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.936 117.4 46.0 -67.3 -47.1 -6.4 -0.8 0.3 79 79 A A H 3< S+ 0 0 30 -4,-2.2 3,-0.2 -7,-0.2 -1,-0.2 0.798 120.0 39.5 -67.4 -29.8 -4.7 -3.3 -2.0 80 80 A L T >X S+ 0 0 3 -4,-3.1 4,-1.7 -5,-0.2 3,-1.1 0.234 74.9 116.9-106.8 14.5 -3.2 -5.3 0.9 81 81 A S H <> S+ 0 0 66 -3,-0.9 4,-2.2 -4,-0.4 -1,-0.2 0.831 76.6 54.5 -53.0 -36.6 -6.1 -5.2 3.4 82 82 A A H 3> S+ 0 0 72 -3,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.843 109.1 48.2 -67.2 -32.0 -6.5 -9.0 3.3 83 83 A L H <> S+ 0 0 48 -3,-1.1 4,-2.8 2,-0.2 5,-0.3 0.778 108.9 53.0 -78.6 -26.3 -2.8 -9.4 4.2 84 84 A S H X>S+ 0 0 4 -4,-1.7 4,-3.0 2,-0.2 5,-1.5 0.911 107.3 53.3 -70.3 -43.6 -3.1 -7.0 7.1 85 85 A D H <>S+ 0 0 37 -4,-2.2 5,-2.3 -5,-0.2 4,-0.3 0.940 114.8 41.6 -53.7 -49.5 -6.0 -9.1 8.3 86 86 A L H <>S+ 0 0 72 -4,-1.8 5,-3.3 3,-0.2 6,-0.2 0.942 124.7 32.3 -66.3 -51.0 -3.8 -12.2 8.2 87 87 A H H <5S+ 0 0 43 -4,-2.8 6,-2.3 3,-0.2 -3,-0.2 0.830 132.2 26.3 -80.5 -34.5 -0.6 -10.7 9.6 88 88 A A T <5S+ 0 0 7 -4,-3.0 -3,-0.2 -5,-0.3 51,-0.1 0.879 130.3 33.3 -95.3 -48.6 -1.8 -8.1 12.0 89 89 A H T > - 0 0 7 -2,-0.2 3,-2.0 1,-0.1 4,-0.5 -0.510 20.2-130.4 -68.3 126.9 6.1 -9.1 15.5 95 95 A P H >> S+ 0 0 30 0, 0.0 4,-1.2 0, 0.0 3,-1.1 0.769 103.2 71.9 -49.9 -29.5 7.2 -6.2 13.2 96 96 A V H >> S+ 0 0 25 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.894 90.9 59.4 -56.3 -36.9 10.9 -7.2 13.9 97 97 A N H <> S+ 0 0 20 -3,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.789 98.3 57.5 -63.5 -28.0 10.3 -10.2 11.7 98 98 A F H - 0 0 55 -2,-2.2 4,-3.1 1,-0.1 5,-0.2 -0.283 55.3-102.1 -77.5 166.7 22.4 -0.2 -7.3 119 119 A P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.902 124.3 51.5 -57.6 -39.7 22.5 1.9 -4.1 120 120 A A H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 113.0 43.4 -63.3 -43.5 19.5 3.9 -5.4 121 121 A V H > S+ 0 0 18 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.904 112.4 53.7 -68.3 -41.8 17.5 0.8 -6.0 122 122 A H H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.936 111.4 46.6 -56.9 -48.3 18.6 -0.7 -2.7 123 123 A A H X S+ 0 0 12 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.942 114.8 44.9 -61.4 -49.4 17.4 2.5 -1.0 124 124 A S H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.899 113.8 49.4 -64.6 -40.8 14.0 2.6 -2.8 125 125 A L H X S+ 0 0 6 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.907 107.9 54.4 -65.8 -39.8 13.3 -1.1 -2.3 126 126 A D H X S+ 0 0 31 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.919 112.0 43.8 -59.7 -43.7 14.2 -0.8 1.4 127 127 A K H X S+ 0 0 42 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.909 112.7 52.6 -66.5 -43.5 11.6 2.0 1.9 128 128 A F H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 111.8 45.5 -57.7 -47.6 9.1 0.1 -0.2 129 129 A L H X S+ 0 0 11 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.848 110.7 53.7 -66.9 -33.7 9.4 -3.0 1.9 130 130 A A H X S+ 0 0 49 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.913 109.8 48.2 -66.8 -40.6 9.3 -1.0 5.1 131 131 A S H X S+ 0 0 32 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.911 112.0 48.4 -65.5 -42.2 6.0 0.6 3.9 132 132 A V H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.927 110.9 52.0 -62.4 -43.6 4.6 -2.9 3.0 133 133 A S H X S+ 0 0 17 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.906 107.6 51.4 -59.8 -42.7 5.7 -4.1 6.4 134 134 A T H < S+ 0 0 67 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.906 110.6 48.9 -62.2 -41.0 3.9 -1.3 8.2 135 135 A V H >< S+ 0 0 7 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.934 112.2 47.8 -64.4 -45.4 0.7 -2.0 6.3 136 136 A L H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.696 115.4 44.5 -70.8 -18.5 0.8 -5.8 7.1 137 137 A T T 3< S+ 0 0 28 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.2 0.374 99.6 87.0-106.0 4.6 1.5 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163 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.854 108.8 50.5 -78.9 -37.4 33.6 -24.9 9.8 149 7 B E H > S+ 0 0 38 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.896 111.5 50.4 -66.3 -39.1 31.7 -21.6 9.9 150 8 B K H X S+ 0 0 67 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.909 110.4 47.8 -64.5 -43.8 35.0 -19.9 10.9 151 9 B T H X S+ 0 0 100 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.891 115.2 47.2 -64.0 -38.7 37.0 -21.5 8.1 152 10 B A H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.932 111.9 48.1 -67.9 -48.2 34.2 -20.5 5.7 153 11 B V H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.891 115.2 45.2 -61.1 -41.2 33.9 -16.9 6.9 154 12 B N H X S+ 0 0 75 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.846 109.8 54.2 -73.0 -34.5 37.6 -16.3 6.8 155 13 B A H < S+ 0 0 62 -4,-1.8 4,-0.5 -5,-0.2 -2,-0.2 0.920 112.6 43.9 -64.8 -43.7 38.0 -18.0 3.4 156 14 B L H >< S+ 0 0 4 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.934 112.6 52.4 -65.4 -46.3 35.4 -15.6 1.9 157 15 B W H >< S+ 0 0 30 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.886 100.0 63.1 -58.4 -39.5 36.9 -12.6 3.7 158 16 B G T 3< S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.701 103.5 49.5 -60.1 -18.2 40.3 -13.4 2.3 159 17 B K T < S+ 0 0 158 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.422 84.0 120.9-100.9 0.6 38.9 -12.8 -1.2 160 18 B V S < S- 0 0 12 -3,-2.0 2,-1.2 -4,-0.3 3,-0.0 -0.392 71.3-119.1 -67.8 137.6 37.3 -9.5 -0.4 161 19 B N >> - 0 0 93 1,-0.2 4,-2.2 -2,-0.1 3,-1.3 -0.671 27.5-164.3 -77.9 100.3 38.4 -6.4 -2.4 162 20 B V T 34 S+ 0 0 77 -2,-1.2 4,-0.2 1,-0.2 -1,-0.2 0.628 81.6 56.0 -64.0 -15.6 39.7 -4.3 0.5 163 21 B D T 34 S+ 0 0 82 3,-0.1 -1,-0.2 2,-0.1 44,-0.1 0.617 121.8 21.5 -92.1 -12.6 39.8 -1.1 -1.5 164 22 B A T <> S+ 0 0 45 -3,-1.3 4,-2.4 3,-0.1 5,-0.2 0.752 105.3 68.4-122.3 -42.4 36.1 -1.1 -2.5 165 23 B V H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.891 102.5 49.1 -51.1 -48.2 33.9 -3.3 -0.2 166 24 B G H > S+ 0 0 3 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.920 113.1 47.6 -59.6 -43.6 34.2 -1.0 2.8 167 25 B G H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 110.0 52.5 -66.6 -34.9 33.4 2.1 0.7 168 26 B E H X S+ 0 0 22 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.901 111.1 47.1 -68.3 -39.5 30.4 0.4 -0.9 169 27 B A H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.934 115.7 43.5 -67.2 -46.9 29.0 -0.6 2.5 170 28 B L H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 114.5 51.5 -64.2 -43.0 29.5 2.9 4.0 171 29 B G H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.943 111.0 46.9 -59.1 -48.8 28.2 4.5 0.8 172 30 B R H X S+ 0 0 6 -4,-2.6 4,-3.4 2,-0.2 5,-0.4 0.881 109.0 55.1 -61.9 -37.8 25.0 2.3 0.9 173 31 B L H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 7,-0.3 0.956 110.1 46.6 -58.7 -48.5 24.5 3.1 4.5 174 32 B L H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.794 119.1 40.5 -63.7 -31.2 24.6 6.8 3.7 175 33 B V H < S+ 0 0 16 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.892 120.5 40.5 -84.8 -44.4 22.2 6.4 0.8 176 34 B V H < S+ 0 0 8 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.844 126.4 33.7 -73.7 -36.6 19.7 3.9 2.3 177 35 B Y S >< S- 0 0 25 -4,-2.5 3,-2.3 -5,-0.4 -1,-0.3 -0.685 76.8-175.5-123.4 75.5 19.6 5.5 5.7 178 36 B P G > S+ 0 0 29 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.669 73.7 67.1 -40.7 -39.5 20.0 9.2 4.9 179 37 B W G > S+ 0 0 45 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.771 85.1 72.6 -62.5 -24.9 20.1 10.5 8.5 180 38 B T G X S+ 0 0 5 -3,-2.3 3,-1.3 -7,-0.3 4,-0.3 0.753 81.5 74.2 -61.6 -21.2 23.4 8.7 8.9 181 39 B Q G X S+ 0 0 7 -3,-1.7 3,-1.7 -7,-0.3 -1,-0.3 0.769 77.8 74.4 -61.2 -27.9 24.9 11.5 6.7 182 40 B R G X S+ 0 0 63 -3,-1.8 3,-0.8 1,-0.3 -1,-0.3 0.838 92.6 54.3 -56.2 -33.0 24.6 13.9 9.6 183 41 B F G < S+ 0 0 75 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.640 112.1 44.4 -75.6 -14.7 27.6 12.2 11.2 184 42 B F G X + 0 0 37 -3,-1.7 3,-2.2 -4,-0.3 -1,-0.2 -0.083 65.7 130.3-121.4 34.4 29.7 12.8 8.0 185 43 B E G X + 0 0 131 -3,-0.8 3,-1.2 1,-0.3 -1,-0.1 0.699 67.9 67.6 -62.6 -17.7 28.9 16.4 7.1 186 44 B S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.575 84.9 73.5 -77.2 -8.2 32.6 17.1 6.7 187 45 B F G < S- 0 0 30 -3,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.532 96.5-145.4 -80.8 -6.6 32.6 14.7 3.7 188 46 B G < + 0 0 45 -3,-1.2 -1,-0.3 -4,-0.2 2,-0.2 -0.598 60.7 32.3 83.9-137.4 30.8 17.4 1.8 189 47 B D + 0 0 96 -2,-0.3 10,-0.1 1,-0.1 -3,-0.0 -0.399 50.0 146.0 -65.7 124.8 28.2 16.6 -0.9 190 48 B L + 0 0 4 -2,-0.2 -1,-0.1 7,-0.0 6,-0.1 -0.044 31.5 124.6-143.4 23.2 26.1 13.5 -0.2 191 49 B S S S+ 0 0 88 4,-0.1 3,-0.1 5,-0.0 -2,-0.1 0.508 72.8 25.5 -69.2 -8.0 22.9 14.8 -1.7 192 50 B S S > S- 0 0 49 1,-0.1 4,-2.6 -3,-0.0 5,-0.2 -0.991 82.6-105.0-153.8 160.0 22.5 11.9 -4.2 193 51 B P H > S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.916 121.0 43.6 -51.1 -49.5 23.4 8.2 -4.6 194 52 B D H > S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.877 111.5 53.7 -66.3 -38.3 26.1 9.0 -7.2 195 53 B A H 4 S+ 0 0 23 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.911 114.0 43.3 -62.6 -41.8 27.5 11.9 -5.2 196 54 B V H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 6,-0.2 0.959 115.1 46.0 -67.6 -53.4 27.8 9.6 -2.2 197 55 B M H 3< S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 116.0 46.7 -63.5 -27.3 29.2 6.5 -4.0 198 56 B G T 3< S+ 0 0 56 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.463 83.0 116.0 -94.2 -1.9 31.7 8.6 -5.9 199 57 B N X> - 0 0 21 -3,-1.2 4,-1.7 -4,-0.4 3,-1.1 -0.562 58.1-151.1 -72.4 113.7 32.9 10.6 -2.9 200 58 B P H 3> S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.776 95.8 58.1 -54.5 -30.2 36.6 9.8 -2.3 201 59 B K H 3> S+ 0 0 108 -14,-0.2 4,-2.4 2,-0.2 5,-0.2 0.831 104.1 51.7 -71.1 -31.9 36.2 10.4 1.4 202 60 B V H <> S+ 0 0 2 -3,-1.1 4,-2.4 -6,-0.2 -1,-0.2 0.929 111.0 47.2 -69.0 -44.9 33.5 7.7 1.6 203 61 B K H X S+ 0 0 114 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.927 114.0 47.9 -61.8 -45.5 35.7 5.2 -0.1 204 62 B A H X S+ 0 0 51 -4,-2.3 4,-1.0 1,-0.2 3,-0.4 0.923 113.3 46.5 -62.7 -45.8 38.7 6.1 2.2 205 63 B H H X S+ 0 0 51 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.876 105.2 61.8 -65.8 -35.5 36.6 5.9 5.3 206 64 B G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.846 98.1 56.9 -58.4 -35.4 35.1 2.6 4.2 207 65 B K H X S+ 0 0 86 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.3 0.887 104.9 52.1 -63.0 -38.2 38.5 1.0 4.2 208 66 B K H X S+ 0 0 146 -4,-1.0 4,-1.6 -3,-0.4 -2,-0.2 0.920 109.7 48.5 -63.3 -43.9 38.8 2.0 7.9 209 67 B V H X S+ 0 0 30 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.919 111.0 50.6 -61.8 -43.5 35.5 0.3 8.6 210 68 B L H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 105.9 55.8 -61.3 -43.1 36.6 -2.8 6.8 211 69 B G H X S+ 0 0 33 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.860 105.7 52.3 -57.9 -36.6 39.9 -2.9 8.7 212 70 B A H X S+ 0 0 21 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.883 107.9 50.6 -67.5 -39.8 37.9 -2.9 12.0 213 71 B F H X S+ 0 0 18 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.889 107.6 54.4 -65.3 -36.9 35.8 -5.9 10.7 214 72 B S H X S+ 0 0 42 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.915 108.1 48.7 -61.5 -44.0 39.1 -7.7 9.8 215 73 B D H X S+ 0 0 95 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.830 110.7 52.4 -64.8 -32.0 40.3 -7.2 13.4 216 74 B G H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.928 108.5 48.5 -68.9 -45.6 37.0 -8.5 14.6 217 75 B L H >< S+ 0 0 12 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.767 106.0 60.4 -65.0 -25.5 37.2 -11.7 12.5 218 76 B A H 3< S+ 0 0 62 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.748 120.3 22.8 -74.0 -25.5 40.7 -12.2 13.8 219 77 B H T X< + 0 0 109 -3,-0.9 3,-1.9 -4,-0.8 -1,-0.3 -0.498 66.8 164.0-141.3 67.4 39.6 -12.4 17.4 220 78 B L T < S+ 0 0 11 -3,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.670 75.6 61.0 -60.7 -17.2 35.9 -13.4 17.4 221 79 B D T 3 S+ 0 0 129 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.542 110.7 36.2 -88.4 -8.5 36.2 -14.4 21.1 222 80 B N <> + 0 0 93 -3,-1.9 4,-1.9 -6,-0.2 -1,-0.2 -0.330 64.1 138.0-140.2 56.9 37.1 -10.9 22.4 223 81 B L H > S+ 0 0 3 -3,-0.5 4,-2.5 1,-0.2 5,-0.1 0.837 72.0 62.6 -69.4 -30.9 35.2 -8.4 20.2 224 82 B K H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 7,-0.2 0.932 109.4 37.4 -59.8 -49.3 34.4 -6.4 23.4 225 83 B G H >4 S+ 0 0 34 2,-0.2 3,-1.0 1,-0.2 4,-0.4 0.881 114.5 55.9 -71.9 -38.5 38.1 -5.6 24.1 226 84 B T H 3< S+ 0 0 43 -4,-1.9 3,-0.3 1,-0.2 4,-0.3 0.902 117.2 35.0 -60.2 -41.8 38.9 -5.2 20.4 227 85 B F T 3X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.264 85.9 110.4 -97.3 11.6 36.2 -2.6 19.9 228 86 B S H <> S+ 0 0 45 -3,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.932 84.4 38.3 -51.3 -55.6 36.6 -1.0 23.4 229 87 B Q H > S+ 0 0 134 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.876 116.2 52.5 -65.9 -38.3 38.1 2.3 22.1 230 88 B L H > S+ 0 0 62 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.858 107.2 53.2 -65.8 -34.5 35.9 2.4 19.0 231 89 B S H X>S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.5 0.904 107.0 51.8 -66.3 -41.3 32.8 2.0 21.3 232 90 B E H X>S+ 0 0 108 -4,-1.7 5,-1.5 -5,-0.2 4,-1.1 0.935 111.9 47.3 -59.5 -46.3 34.0 4.9 23.4 233 91 B L H <>S+ 0 0 73 -4,-2.1 5,-2.0 3,-0.2 4,-0.4 0.942 118.2 38.7 -61.2 -50.8 34.3 7.0 20.2 234 92 B H H <5S+ 0 0 45 -4,-2.5 6,-3.1 3,-0.2 -2,-0.2 0.848 127.3 31.4 -71.3 -36.5 30.9 6.1 18.7 235 93 B C H <5S+ 0 0 3 -4,-2.8 4,-0.3 4,-0.2 -3,-0.2 0.947 129.3 27.0 -88.4 -57.9 28.9 6.1 21.9 236 94 B D T < - 0 0 44 -2,-0.4 3,-1.7 1,-0.1 4,-0.5 -0.426 18.3-124.5 -65.4 137.3 22.4 5.3 18.3 242 100 B P T >> S+ 0 0 43 0, 0.0 4,-1.3 0, 0.0 3,-1.1 0.749 104.5 70.2 -50.8 -35.0 23.1 1.5 18.4 243 101 B E H 3> S+ 0 0 71 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.845 92.9 58.9 -57.2 -32.7 20.4 0.7 15.8 244 102 B N H <> S+ 0 0 9 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.809 98.1 58.1 -68.3 -29.3 22.7 2.2 13.2 245 103 B F H <> S+ 0 0 20 -3,-1.1 4,-1.8 -4,-0.5 -1,-0.2 0.905 107.3 48.2 -65.3 -40.6 25.5 -0.2 14.0 246 104 B R H X S+ 0 0 79 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.883 109.6 53.4 -65.6 -40.0 23.1 -3.1 13.2 247 105 B L H X S+ 0 0 12 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.921 108.4 47.6 -63.0 -45.4 22.1 -1.3 9.9 248 106 B L H X S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.882 110.5 54.4 -63.9 -35.6 25.7 -1.0 8.7 249 107 B G H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.927 110.8 44.7 -61.8 -44.2 26.2 -4.6 9.6 250 108 B N H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.848 110.9 53.2 -68.9 -35.4 23.2 -5.6 7.4 251 109 B V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.922 107.0 52.8 -65.7 -41.4 24.3 -3.3 4.6 252 110 B L H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.907 106.9 52.7 -59.1 -41.2 27.7 -5.0 4.7 253 111 B V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.923 109.0 49.7 -60.6 -43.0 25.9 -8.4 4.4 254 112 B C H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.878 110.5 50.4 -62.6 -38.8 24.1 -7.0 1.3 255 113 B V H X 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0.862 105.6 57.6 -67.4 -38.8 -9.3 17.8 24.8 306 17 C V H >< S+ 0 0 2 -4,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.919 83.5 150.2 -57.2 -43.6 -5.7 19.0 25.0 307 18 C G G >< + 0 0 38 -4,-1.9 3,-1.8 1,-0.3 4,-0.2 -0.143 67.7 0.7 50.9-131.3 -6.9 22.2 23.3 308 19 C A G 3 S+ 0 0 105 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.507 122.6 73.0 -68.1 -5.2 -5.0 25.4 24.2 309 20 C H G <> + 0 0 93 -3,-2.2 4,-2.8 1,-0.2 5,-0.3 0.565 69.8 97.3 -82.1 -11.1 -2.7 23.4 26.5 310 21 C A H <> S+ 0 0 3 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.881 81.2 48.3 -43.6 -52.0 -1.1 21.9 23.3 311 22 C G H > S+ 0 0 10 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.918 112.7 47.9 -58.1 -46.0 1.8 24.4 23.4 312 23 C E H > S+ 0 0 97 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.895 112.8 48.4 -62.0 -43.3 2.5 23.9 27.1 313 24 C Y H X S+ 0 0 9 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.883 109.9 52.4 -66.6 -37.6 2.4 20.1 26.6 314 25 C G H X S+ 0 0 4 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.915 110.9 47.5 -63.2 -41.4 4.7 20.3 23.6 315 26 C A H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.885 112.2 49.3 -66.9 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26.9 326 37 C P G > S+ 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.695 74.0 70.4 -45.4 -32.1 20.6 14.4 27.0 327 38 C T G > S+ 0 0 60 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.797 85.1 68.7 -62.8 -27.5 22.0 13.5 23.6 328 39 C T G X S+ 0 0 2 -3,-2.2 3,-1.5 -7,-0.3 -1,-0.3 0.729 83.9 73.5 -64.0 -19.9 18.9 15.0 21.9 329 40 C K G X S+ 0 0 89 -3,-1.6 3,-1.6 -4,-0.3 -1,-0.3 0.693 76.0 77.8 -68.2 -17.2 20.2 18.4 23.0 330 41 C T G < S+ 0 0 64 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.685 86.1 62.5 -66.1 -15.9 22.9 18.3 20.4 331 42 C Y G < S+ 0 0 37 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.652 105.1 45.9 -82.5 -15.5 20.2 19.2 17.8 332 43 C F X + 0 0 36 -3,-1.6 3,-1.7 -4,-0.2 -1,-0.2 -0.394 62.3 150.9-125.2 56.1 19.5 22.6 19.5 333 44 C P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.821 77.4 49.5 -54.1 -37.3 23.0 24.1 20.2 334 45 C H T 3 S+ 0 0 137 -3,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.463 94.0 97.6 -84.3 -3.0 21.7 27.7 20.0 335 46 C F S < S- 0 0 37 -3,-1.7 2,-1.3 -6,-0.2 -3,-0.1 -0.589 82.0-118.4 -88.8 150.1 18.8 27.0 22.3 336 47 C D > 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-63.1 -43.3 -11.8 -3.8 27.3 484 53 D A H > S+ 0 0 23 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.927 113.9 47.0 -62.3 -44.9 -11.2 -7.6 27.1 485 54 D V H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.944 113.3 45.7 -62.4 -51.7 -7.5 -7.1 27.6 486 55 D M H 3< S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.806 117.3 45.3 -65.4 -28.8 -7.7 -4.7 30.5 487 56 D G H 3< S+ 0 0 41 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.462 82.8 122.1 -93.3 -0.9 -10.3 -6.8 32.2 488 57 D N S+ 0 0 100 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.868 97.0 49.9 -56.1 -42.3 -7.8 -11.8 35.0 490 59 D K H > S+ 0 0 110 -14,-0.4 4,-2.7 2,-0.2 5,-0.2 0.877 108.9 52.6 -67.0 -38.0 -4.6 -13.5 33.8 491 60 D V H > S+ 0 0 0 -15,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 111.5 46.4 -62.6 -46.7 -3.3 -10.2 32.4 492 61 D K H X S+ 0 0 106 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.939 115.1 45.2 -61.1 -49.1 -3.9 -8.5 35.8 493 62 D A H X S+ 0 0 57 -4,-2.5 4,-1.2 1,-0.2 3,-0.2 0.916 115.3 47.5 -62.4 -43.8 -2.2 -11.3 37.8 494 63 D H H X S+ 0 0 55 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.866 104.6 59.6 -67.0 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42.5 505 74 D G H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 6,-0.2 0.934 106.1 50.8 -68.9 -45.9 15.6 -4.9 40.0 506 75 D L H >< S+ 0 0 15 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.771 108.9 53.1 -62.0 -27.4 15.3 -1.7 42.0 507 76 D A T 3< S+ 0 0 71 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.589 120.5 31.8 -84.4 -12.0 16.7 -3.6 45.1 508 77 D H T X + 0 0 82 -3,-1.2 3,-2.4 -4,-0.5 -1,-0.2 -0.300 65.7 150.4-140.5 51.8 19.7 -4.8 43.1 509 78 D L T < S+ 0 0 20 -3,-0.5 3,-0.5 1,-0.3 -3,-0.1 0.710 76.3 58.1 -59.6 -18.8 20.5 -2.1 40.6 510 79 D D T 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 -5,-0.0 0.436 114.8 34.6 -91.0 -0.5 24.2 -3.1 40.8 511 80 D N <> + 0 0 84 -3,-2.4 4,-2.8 -6,-0.2 -1,-0.2 -0.154 68.7 136.7-145.8 45.2 23.4 -6.7 39.7 512 81 D L H > S+ 0 0 12 -3,-0.5 4,-2.6 1,-0.2 5,-0.1 0.907 76.6 49.2 -61.6 -43.5 20.6 -6.6 37.2 513 82 D K H > S+ 0 0 74 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.848 114.3 45.1 -67.3 -33.5 22.1 -9.1 34.8 514 83 D G H >4 S+ 0 0 35 2,-0.2 3,-0.7 1,-0.2 4,-0.4 0.930 114.3 49.4 -73.8 -44.2 22.8 -11.6 37.6 515 84 D T H 3< S+ 0 0 41 -4,-2.8 4,-0.3 1,-0.2 3,-0.2 0.898 121.8 33.6 -60.1 -41.0 19.4 -11.1 39.1 516 85 D F H 3X S+ 0 0 5 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.314 82.2 105.5-101.7 9.7 17.7 -11.5 35.7 517 86 D S H S+ 0 0 127 -4,-0.4 4,-2.2 -3,-0.2 -1,-0.2 0.930 114.9 48.3 -62.4 -44.8 17.3 -16.9 34.4 519 88 D L H > S+ 0 0 52 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.881 109.7 51.7 -61.9 -40.6 14.5 -14.6 33.3 520 89 D S H X S+ 0 0 6 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.911 109.1 51.3 -64.5 -40.4 16.4 -13.5 30.2 521 90 D E H X>S+ 0 0 110 -4,-2.3 4,-1.4 -5,-0.2 5,-1.2 0.923 110.4 48.8 -60.9 -45.1 17.0 -17.1 29.3 522 91 D L H X>S+ 0 0 77 -4,-2.2 5,-2.4 1,-0.2 4,-0.8 0.956 115.2 43.6 -59.1 -51.4 13.3 -17.8 29.6 523 92 D H H <5S+ 0 0 43 -4,-2.6 6,-3.1 3,-0.2 -2,-0.2 0.828 125.0 32.6 -65.2 -35.4 12.3 -14.8 27.5 524 93 D C H X5S+ 0 0 63 -4,-2.6 4,-0.8 4,-0.2 -3,-0.2 0.957 128.2 27.7 -85.7 -64.4 14.9 -15.3 24.8 525 94 D D H <5S+ 0 0 101 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.1 0.823 133.4 28.8 -71.6 -34.7 15.6 -19.1 24.4 526 95 D K T < - 0 0 52 -2,-0.6 3,-1.9 1,-0.1 4,-0.4 -0.442 18.6-123.8 -64.9 134.9 12.6 -10.0 20.6 531 100 D P T >> S+ 0 0 43 0, 0.0 3,-1.7 0, 0.0 4,-1.0 0.751 104.5 72.4 -47.8 -36.2 14.6 -7.6 22.8 532 101 D E H 3> S+ 0 0 73 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.852 90.4 61.2 -52.3 -35.8 13.0 -4.5 21.3 533 102 D N H <> S+ 0 0 10 -3,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.770 94.0 61.4 -65.1 -26.5 9.8 -5.5 23.1 534 103 D F H <> S+ 0 0 21 -3,-1.7 4,-1.9 -4,-0.4 -1,-0.2 0.884 104.3 49.2 -66.5 -38.1 11.5 -5.1 26.6 535 104 D R H X S+ 0 0 84 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.874 108.6 54.4 -66.7 -38.4 12.1 -1.5 25.8 536 105 D L H X S+ 0 0 9 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.887 107.9 47.9 -64.5 -39.8 8.5 -1.1 24.9 537 106 D L H X S+ 0 0 30 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.893 109.4 54.4 -68.9 -37.6 7.3 -2.5 28.2 538 107 D G H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.929 110.0 46.6 -60.1 -44.7 9.7 -0.2 30.0 539 108 D N H X S+ 0 0 17 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.850 110.3 52.4 -67.1 -34.8 8.2 2.8 28.2 540 109 D V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.921 108.5 51.4 -65.8 -43.0 4.6 1.7 28.9 541 110 D L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.911 108.3 51.8 -59.9 -42.3 5.5 1.3 32.6 542 111 D V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.892 110.1 49.1 -61.8 -38.5 6.9 4.9 32.6 543 112 D C H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.875 110.5 51.1 -67.6 -37.4 3.6 6.1 31.0 544 113 D V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 108.6 50.5 -67.1 -40.6 1.6 4.2 33.6 545 114 D L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.913 111.4 49.5 -63.2 -40.4 3.6 5.8 36.4 546 115 D A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 7,-0.2 0.910 111.4 48.2 -64.5 -42.3 3.0 9.2 34.9 547 116 D R H < S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.6 42.9 -66.4 -38.3 -0.8 8.6 34.6 548 117 D N H < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.767 124.9 32.0 -80.6 -26.7 -1.0 7.4 38.2 549 118 D F H >< S- 0 0 36 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.547 84.2-176.3-108.1 -11.0 1.2 10.0 39.8 550 119 D G G >< + 0 0 13 -4,-2.0 3,-2.4 1,-0.3 -1,-0.2 -0.193 69.5 6.9 54.7-133.7 0.5 13.0 37.6 551 120 D K G 3 S+ 0 0 142 -151,-0.3 -1,-0.3 1,-0.3 -150,-0.1 0.772 123.3 68.8 -51.5 -30.8 2.5 16.2 38.4 552 121 D E G < S+ 0 0 79 -3,-1.7 2,-1.9 1,-0.2 -1,-0.3 0.777 82.9 74.8 -62.4 -25.7 4.5 14.2 41.0 553 122 D F S < S+ 0 0 0 -3,-2.4 -1,-0.2 -7,-0.2 -153,-0.1 -0.525 81.4 180.0 -87.3 70.2 6.1 12.3 38.0 554 123 D T > - 0 0 50 -2,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.029 45.9 -98.8 -66.1 169.6 8.2 15.3 37.2 555 124 D P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.890 128.0 50.1 -58.6 -37.4 10.8 15.5 34.3 556 125 D Q H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.884 109.5 49.1 -67.1 -42.4 13.5 14.7 37.0 557 126 D M H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 112.2 49.8 -64.6 -41.3 11.6 11.7 38.3 558 127 D Q H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.924 105.6 56.0 -62.3 -46.1 11.1 10.5 34.7 559 128 D A H X S+ 0 0 12 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.882 109.8 46.3 -54.6 -41.2 14.8 10.9 33.9 560 129 D A H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.919 113.0 48.7 -69.2 -43.3 15.7 8.6 36.9 561 130 D Y H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.830 104.1 60.1 -67.1 -30.4 13.1 6.0 36.0 562 131 D Q H X S+ 0 0 12 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.909 104.8 50.1 -63.0 -38.9 14.2 6.0 32.3 563 132 D K H X S+ 0 0 83 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.924 111.9 48.7 -64.7 -41.5 17.6 4.9 33.6 564 133 D V H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.945 113.3 44.0 -64.0 -50.7 16.0 2.1 35.7 565 134 D V H X S+ 0 0 8 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.843 112.0 54.2 -66.2 -30.6 13.8 0.7 32.9 566 135 D A H X S+ 0 0 53 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.898 108.6 50.4 -67.5 -38.7 16.7 0.9 30.4 567 136 D G H X S+ 0 0 12 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.923 112.0 46.1 -64.0 -45.3 18.7 -1.1 32.9 568 137 D V H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.937 113.3 48.8 -63.3 -47.4 16.0 -3.8 33.3 569 138 D A H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.895 112.2 49.3 -59.9 -40.6 15.4 -4.0 29.5 570 139 D N H X S+ 0 0 51 -4,-2.3 4,-1.8 1,-0.2 5,-0.5 0.854 110.3 51.4 -67.0 -35.2 19.1 -4.4 28.9 571 140 D A H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.884 112.9 43.9 -70.0 -39.3 19.4 -7.1 31.6 572 141 D L H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.855 114.1 49.4 -75.2 -33.5 16.5 -9.1 30.1 573 142 D A H < S- 0 0 22 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.858 88.9-172.1 -69.3 -35.5 17.9 -8.6 26.5 574 143 D H < - 0 0 46 -4,-1.8 2,-1.8 -5,-0.2 -3,-0.1 0.878 8.2-176.3 42.8 61.4 21.2 -9.7 27.9 575 144 D K + 0 0 99 -5,-0.5 -1,-0.2 -294,-0.0 -2,-0.1 -0.559 16.7 172.8 -86.1 75.4 23.4 -9.0 24.9 576 145 D Y 0 0 169 -2,-1.8 -295,-0.1 -3,-0.2 -294,-0.0 -0.213 360.0 360.0 -77.2 174.0 26.6 -10.4 26.3 577 146 D H 0 0 74 -296,-0.1 -1,-0.1 -295,-0.0 -356,-0.1 -0.642 360.0 360.0-112.1 360.0 29.9 -10.8 24.4