==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 22-AUG-07 2R1H . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA-4; . SOURCE 2 ORGANISM_SCIENTIFIC: ONCORHYNCHUS MYKISS; . AUTHOR R.ARANDA IV,C.E.WORLEY,M.P.RICHARDS,G.N.PHILLIPS JR. . 578 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 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 . 11 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 58.0 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 0 0 3 0 0 1 1 3 4 1 2 3 5 0 0 1 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 S 0 0 60 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 144.7 6.8 14.3 38.2 2 2 A L - 0 0 19 72,-0.2 2,-0.1 126,-0.1 123,-0.0 -0.610 360.0-140.9 -80.4 136.3 5.7 11.0 39.8 3 3 A S > - 0 0 54 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.436 31.7-102.1 -83.0 166.4 2.5 10.9 41.8 4 4 A A H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 127.6 51.4 -44.6 -52.1 2.1 9.0 45.0 5 5 A K H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.815 106.8 51.8 -62.8 -35.6 0.3 6.4 42.9 6 6 A D H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 110.9 49.1 -62.4 -45.1 3.1 6.2 40.4 7 7 A K H X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 111.0 47.9 -62.6 -48.4 5.6 5.6 43.2 8 8 A A H X S+ 0 0 56 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.852 112.2 51.9 -58.0 -35.3 3.5 2.8 44.8 9 9 A N H X S+ 0 0 21 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.947 110.0 47.9 -68.9 -47.4 3.1 1.2 41.3 10 10 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.927 112.1 48.2 -56.9 -51.1 6.9 1.3 40.7 11 11 A K H X S+ 0 0 126 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.908 110.1 53.0 -60.4 -43.0 7.7 -0.2 44.1 12 12 A A H >X S+ 0 0 68 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.937 112.4 42.7 -57.6 -52.5 5.1 -3.0 43.7 13 13 A I H >X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 3,-1.6 0.886 108.0 59.6 -64.0 -38.8 6.5 -4.1 40.3 14 14 A W H 3X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.772 92.5 69.9 -59.9 -22.1 10.1 -3.9 41.5 15 15 A G H << S+ 0 0 47 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.857 106.9 37.4 -58.3 -35.2 9.0 -6.4 44.1 16 16 A K H << S+ 0 0 97 -3,-1.6 4,-0.5 -4,-0.6 -2,-0.2 0.842 117.2 51.6 -86.1 -35.0 8.8 -8.9 41.2 17 17 A I H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 7,-0.2 0.901 95.0 68.4 -69.9 -43.1 11.9 -7.6 39.4 18 18 A L G >< S+ 0 0 95 -4,-2.7 3,-2.1 1,-0.3 4,-0.3 0.863 94.0 54.5 -51.7 -50.3 14.4 -7.6 42.2 19 19 A P G 3 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.787 120.8 35.2 -55.5 -25.9 14.7 -11.4 42.5 20 20 A K G <> S+ 0 0 91 -3,-1.7 4,-2.8 -4,-0.5 3,-0.5 0.128 82.4 125.5-109.6 20.3 15.5 -11.5 38.8 21 21 A S H <> S+ 0 0 8 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.867 72.1 46.9 -52.7 -48.3 17.5 -8.2 38.6 22 22 A D H > S+ 0 0 87 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.879 115.5 45.3 -61.6 -40.8 20.7 -9.6 37.1 23 23 A E H > S+ 0 0 87 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.906 112.7 50.8 -71.1 -41.9 18.9 -11.5 34.3 24 24 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 -7,-0.2 -2,-0.2 0.900 110.2 51.0 -61.9 -40.5 16.6 -8.6 33.6 25 25 A G H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.931 110.7 47.9 -64.5 -44.6 19.7 -6.3 33.3 26 26 A E H X S+ 0 0 22 -4,-2.2 4,-2.7 1,-0.2 26,-0.3 0.936 113.0 48.3 -61.1 -44.4 21.3 -8.7 30.9 27 27 A Q H X S+ 0 0 35 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.904 112.6 48.5 -63.1 -43.9 18.2 -9.0 28.8 28 28 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.933 115.2 42.6 -65.0 -48.9 17.6 -5.3 28.7 29 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.901 112.2 54.2 -64.5 -44.5 21.2 -4.4 27.7 30 30 A S H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.3 5,-0.3 0.923 111.7 46.2 -53.9 -46.4 21.4 -7.3 25.1 31 31 A R H X>S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.6 0.887 109.5 52.5 -66.8 -39.4 18.3 -6.0 23.4 32 32 A M H X5S+ 0 0 9 -4,-2.2 4,-1.5 1,-0.2 7,-0.4 0.935 113.4 45.5 -61.1 -45.1 19.4 -2.4 23.4 33 33 A L H <5S+ 0 0 0 -4,-2.5 7,-0.3 2,-0.2 -2,-0.2 0.911 122.3 33.5 -64.7 -44.7 22.7 -3.4 21.7 34 34 A V H <5S+ 0 0 18 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.882 125.3 39.6 -80.0 -42.5 21.2 -5.8 19.1 35 35 A V H <5S+ 0 0 9 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.812 128.6 31.1 -81.3 -32.6 17.9 -4.1 18.4 36 36 A Y S >< + 0 0 18 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.630 66.0 83.1 -62.5 -11.8 22.8 -1.1 17.2 38 38 A Q G > S+ 0 0 62 1,-0.3 3,-0.9 542,-0.2 497,-0.1 0.797 86.0 61.2 -53.9 -29.9 23.5 2.7 17.2 39 39 A T G X S+ 0 0 1 -3,-2.4 3,-1.6 -7,-0.4 -1,-0.3 0.688 80.5 79.7 -75.5 -19.6 24.2 2.2 20.9 40 40 A K G X S+ 0 0 48 -3,-1.5 3,-1.8 -7,-0.3 4,-0.3 0.665 72.5 85.3 -58.9 -18.9 27.2 -0.3 20.2 41 41 A A G < S+ 0 0 3 -3,-0.9 3,-0.3 -4,-0.3 -1,-0.3 0.739 89.7 47.0 -54.6 -27.8 29.2 2.9 19.6 42 42 A Y G < S+ 0 0 19 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.480 111.8 49.7 -93.5 -2.3 29.9 3.2 23.3 43 43 A F X + 0 0 28 -3,-1.8 3,-2.0 -4,-0.2 -2,-0.2 0.214 64.7 112.3-127.3 15.9 30.9 -0.4 23.9 44 44 A S T 3 S+ 0 0 53 -4,-0.3 -1,-0.1 -3,-0.3 -3,-0.1 0.687 71.6 69.0 -70.8 -15.3 33.5 -1.4 21.3 45 45 A H T 3 S+ 0 0 141 -3,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.630 83.7 99.4 -75.1 -11.4 36.1 -1.7 24.0 46 46 A W S < S- 0 0 52 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.399 83.3-124.8 -72.3 154.2 34.2 -4.7 25.3 47 47 A A S S+ 0 0 103 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.819 93.1 1.1 -61.0 -33.0 35.3 -8.3 24.4 48 48 A S - 0 0 40 -5,-0.1 -1,-0.2 2,-0.1 8,-0.0 -0.990 42.4-165.8-154.7 148.4 31.7 -8.9 23.0 49 49 A V + 0 0 36 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.061 55.2 126.1-117.1 20.5 28.4 -7.1 22.5 50 50 A A S > S- 0 0 48 1,-0.1 3,-2.3 -17,-0.0 6,-0.3 -0.483 74.6 -88.4 -77.8 147.2 26.5 -10.4 21.9 51 51 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.312 112.1 7.9 -57.2 134.6 23.4 -11.1 23.9 52 52 A G T 3 S+ 0 0 28 -26,-0.3 -25,-0.1 1,-0.2 -26,-0.0 0.466 92.5 145.5 72.2 3.3 24.2 -12.9 27.2 53 53 A S <> - 0 0 20 -3,-2.3 4,-3.3 -27,-0.1 -1,-0.2 -0.232 64.9-103.6 -64.4 163.0 28.0 -12.5 26.7 54 54 A A H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 120.8 46.7 -59.4 -46.7 30.1 -12.0 29.8 55 55 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.878 114.5 48.2 -62.7 -38.7 30.6 -8.2 29.3 56 56 A V H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.921 113.2 47.8 -68.3 -42.2 26.9 -7.7 28.6 57 57 A K H X S+ 0 0 109 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.939 112.3 49.6 -58.1 -46.9 26.0 -9.8 31.6 58 58 A K H X S+ 0 0 159 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.926 116.8 40.2 -61.2 -48.3 28.5 -7.8 33.8 59 59 A H H X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.823 106.9 62.2 -73.6 -35.8 27.2 -4.4 32.7 60 60 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.902 106.7 47.7 -51.1 -43.1 23.6 -5.4 32.7 61 61 A I H X S+ 0 0 52 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.912 109.0 53.6 -63.9 -45.6 24.0 -6.0 36.5 62 62 A T H X S+ 0 0 80 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.928 112.3 44.2 -55.3 -48.3 25.7 -2.7 36.9 63 63 A I H X S+ 0 0 29 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.958 115.7 46.0 -61.5 -54.9 22.8 -0.9 35.2 64 64 A M H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.868 106.9 58.2 -62.0 -40.5 20.1 -2.8 37.1 65 65 A N H X S+ 0 0 78 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.938 109.9 45.5 -51.0 -47.2 21.8 -2.3 40.4 66 66 A Q H X S+ 0 0 53 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.927 114.1 46.8 -63.0 -46.1 21.6 1.4 39.9 67 67 A I H X S+ 0 0 14 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.914 109.3 54.9 -66.1 -38.9 18.0 1.4 38.7 68 68 A D H X S+ 0 0 21 -4,-3.4 4,-0.5 1,-0.2 3,-0.4 0.921 108.9 49.3 -56.7 -41.9 17.0 -0.8 41.7 69 69 A D H >< S+ 0 0 96 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.818 103.3 59.9 -67.7 -33.2 18.6 1.8 43.9 70 70 A C H >< S+ 0 0 0 -4,-1.7 3,-2.6 1,-0.2 -1,-0.2 0.835 91.3 69.1 -63.1 -33.5 16.7 4.6 42.2 71 71 A V H >< S+ 0 0 14 -4,-1.5 3,-0.6 -3,-0.4 -1,-0.2 0.827 99.5 49.5 -56.2 -31.9 13.4 2.9 43.2 72 72 A G T << S+ 0 0 61 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.248 111.4 52.6 -86.3 12.0 14.2 3.8 46.8 73 73 A H T X + 0 0 85 -3,-2.6 3,-1.4 1,-0.1 7,-0.2 -0.025 61.8 124.5-139.3 30.6 14.9 7.4 45.7 74 74 A M T < + 0 0 15 -3,-0.6 3,-0.3 1,-0.3 -72,-0.2 0.585 67.1 68.6 -81.3 -11.4 11.9 8.5 43.8 75 75 A D T 3 S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.709 123.8 9.4 -73.8 -21.0 11.3 11.5 46.0 76 76 A D <> + 0 0 101 -3,-1.4 4,-2.2 -6,-0.2 -1,-0.2 -0.338 66.6 156.5-157.0 72.9 14.6 13.0 44.5 77 77 A L H > S+ 0 0 5 -3,-0.3 4,-2.4 2,-0.2 5,-0.1 0.862 78.2 57.3 -66.5 -36.3 16.0 11.1 41.5 78 78 A F H > S+ 0 0 58 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.949 110.8 41.8 -62.0 -49.9 17.9 14.2 40.2 79 79 A G H >4 S+ 0 0 38 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.952 115.4 51.8 -56.8 -50.5 19.9 14.7 43.4 80 80 A F H 3< S+ 0 0 68 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.854 115.4 41.3 -55.3 -38.4 20.4 10.9 43.7 81 81 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.440 80.2 105.2 -95.5 -0.3 21.8 10.7 40.1 82 82 A T H S+ 0 0 175 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.908 115.9 47.2 -68.2 -41.5 27.4 12.0 40.2 84 84 A L H > S+ 0 0 41 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.858 110.1 53.0 -66.6 -35.9 26.2 9.4 37.7 85 85 A S H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.949 109.6 49.6 -61.4 -49.3 25.0 12.2 35.3 86 86 A E H X>S+ 0 0 99 -4,-2.6 4,-2.9 -5,-0.2 5,-0.6 0.877 109.6 51.8 -52.7 -45.4 28.4 13.8 35.6 87 87 A L H X>S+ 0 0 76 -4,-2.1 5,-2.5 1,-0.2 4,-1.0 0.904 111.4 45.0 -62.5 -46.8 30.2 10.6 34.8 88 88 A H H <>S+ 0 0 38 -4,-2.1 6,-1.9 3,-0.2 5,-0.7 0.866 119.4 43.8 -64.8 -34.2 28.1 9.9 31.7 89 89 A A H <5S+ 0 0 13 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.938 127.1 22.1 -76.9 -48.8 28.5 13.4 30.5 90 90 A T H <5S+ 0 0 109 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.889 133.0 28.2 -93.1 -47.1 32.1 14.2 31.1 91 91 A K T < - 0 0 1 -2,-0.5 3,-1.9 1,-0.2 4,-0.2 -0.510 26.8-135.7 -56.2 118.8 24.7 11.3 23.8 96 96 A P T > S+ 0 0 28 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.656 94.4 81.5 -63.9 -14.2 21.8 11.5 26.3 97 97 A T T 3> S+ 0 0 41 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.744 83.2 66.7 -58.3 -21.7 19.2 10.6 23.6 98 98 A N H <> S+ 0 0 11 -3,-1.9 4,-2.0 1,-0.2 3,-0.3 0.713 80.4 75.8 -72.2 -22.0 20.3 6.9 24.3 99 99 A F H <> S+ 0 0 22 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.912 94.5 50.0 -59.6 -41.0 18.9 6.9 27.8 100 100 A K H > S+ 0 0 98 -4,-0.5 4,-2.6 -3,-0.4 -1,-0.3 0.817 104.9 58.9 -67.1 -28.7 15.4 6.5 26.5 101 101 A I H X S+ 0 0 20 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.942 107.5 45.7 -64.0 -46.6 16.5 3.7 24.3 102 102 A L H X S+ 0 0 33 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.931 111.3 53.7 -59.9 -42.9 17.6 1.8 27.4 103 103 A A H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 107.0 51.4 -59.0 -43.2 14.4 2.7 29.1 104 104 A H H X S+ 0 0 28 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.915 110.2 48.0 -60.1 -51.6 12.3 1.2 26.2 105 105 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.822 109.5 52.4 -60.1 -34.6 14.2 -2.1 26.2 106 106 A L H X S+ 0 0 3 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.894 108.4 51.4 -65.9 -41.6 13.8 -2.5 30.0 107 107 A I H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 110.3 49.4 -61.5 -43.0 10.1 -1.9 29.6 108 108 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.942 112.7 47.4 -58.0 -45.9 10.0 -4.6 26.9 109 109 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.923 110.6 50.9 -66.8 -44.4 12.0 -7.0 29.2 110 110 A I H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.922 110.4 49.6 -57.1 -45.7 9.7 -6.3 32.3 111 111 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 111.9 49.2 -57.8 -45.1 6.6 -7.0 30.2 112 112 A A H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 117.3 40.0 -63.8 -41.2 8.2 -10.3 28.9 113 113 A Y H < S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.822 131.0 24.7 -79.1 -32.3 9.1 -11.4 32.4 114 114 A F X + 0 0 16 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 -0.459 68.0 157.4-133.2 61.4 6.0 -10.3 34.2 115 115 A P T 4 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.880 76.5 47.8 -60.7 -42.6 3.1 -10.2 31.7 116 116 A A T 4 S+ 0 0 82 1,-0.2 3,-0.1 143,-0.1 -2,-0.1 0.896 117.2 41.8 -63.0 -40.3 0.3 -10.5 34.2 117 117 A E T 4 S+ 0 0 66 1,-0.2 2,-2.0 -3,-0.2 -1,-0.2 0.786 96.2 81.1 -82.4 -28.3 1.6 -7.8 36.5 118 118 A F < + 0 0 1 -4,-2.2 -1,-0.2 -7,-0.2 141,-0.1 -0.394 63.6 164.0 -82.2 62.2 2.7 -5.3 33.8 119 119 A T > - 0 0 49 -2,-2.0 4,-3.2 -3,-0.1 5,-0.2 -0.218 55.9 -97.9 -68.1 163.8 -0.7 -3.8 33.2 120 120 A P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.867 126.1 51.7 -51.7 -40.8 -1.0 -0.5 31.2 121 121 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.887 112.8 44.3 -64.9 -40.5 -1.3 1.4 34.6 122 122 A I H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 113.7 51.6 -65.9 -43.7 1.9 -0.2 35.9 123 123 A H H X S+ 0 0 10 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.917 108.1 52.2 -59.0 -45.1 3.5 0.4 32.5 124 124 A L H X S+ 0 0 28 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.963 111.4 46.3 -57.8 -51.8 2.6 4.1 32.6 125 125 A S H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.912 113.4 47.6 -58.4 -46.9 4.1 4.5 36.0 126 126 A V H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.876 111.4 51.0 -62.5 -39.0 7.3 2.7 35.2 127 127 A D H X S+ 0 0 23 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.925 110.3 49.8 -65.1 -40.9 7.7 4.7 31.9 128 128 A K H X S+ 0 0 25 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.942 112.6 48.2 -59.9 -47.3 7.2 7.9 34.0 129 129 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.954 113.9 45.2 -55.0 -54.2 9.9 6.6 36.4 130 130 A L H X S+ 0 0 7 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.842 110.6 53.3 -68.5 -31.2 12.4 5.7 33.7 131 131 A Q H X S+ 0 0 62 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.890 111.3 46.8 -67.5 -38.8 11.9 8.9 31.8 132 132 A Q H X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.925 110.8 51.7 -65.6 -44.6 12.6 10.9 35.0 133 133 A L H X S+ 0 0 15 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.906 110.7 49.2 -57.5 -43.8 15.6 8.7 35.6 134 134 A A H X S+ 0 0 12 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.929 111.0 49.8 -58.9 -46.8 16.8 9.5 32.0 135 135 A L H X S+ 0 0 55 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.878 109.9 51.4 -60.3 -35.8 16.2 13.2 32.6 136 136 A A H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.864 108.2 49.8 -72.9 -35.0 18.3 12.9 35.8 137 137 A L H < S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.723 114.3 48.5 -68.3 -23.6 21.2 11.2 34.0 138 138 A A H >< S+ 0 0 30 -4,-1.3 3,-1.5 -5,-0.2 -2,-0.2 0.580 87.9 89.6 -89.6 -14.5 20.9 14.1 31.5 139 139 A E T 3< S+ 0 0 46 -4,-0.8 -1,-0.1 -3,-0.3 -2,-0.1 0.817 85.0 48.3 -56.4 -40.1 20.8 16.9 34.1 140 140 A K T 3 S+ 0 0 85 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.3 0.241 87.0 115.2 -94.2 15.4 24.6 17.5 34.4 141 141 A Y < 0 0 13 -3,-1.5 -55,-0.1 1,-0.2 -3,-0.0 -0.609 360.0 360.0 -82.5 144.6 25.2 17.7 30.6 142 142 A R 0 0 86 -2,-0.3 -1,-0.2 -53,-0.1 277,-0.1 0.596 360.0 360.0 58.6 360.0 26.3 20.9 28.8 143 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 144 1 B V 0 0 67 0, 0.0 2,-0.5 0, 0.0 434,-0.0 0.000 360.0 360.0 360.0 90.7 15.3 -2.0 4.0 145 2 B D - 0 0 133 0, 0.0 2,-0.3 0, 0.0 77,-0.0 -0.941 360.0-146.6-118.6 108.0 17.2 -5.0 2.9 146 3 B W - 0 0 21 -2,-0.5 2,-0.2 4,-0.1 127,-0.0 -0.528 4.2-139.8 -73.3 132.7 15.8 -8.0 4.8 147 4 B T > - 0 0 71 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.567 28.5-111.0 -77.2 158.1 18.1 -10.7 5.8 148 5 B D H > S+ 0 0 135 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.902 120.0 54.3 -53.0 -43.0 16.7 -14.2 5.4 149 6 B A H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 107.5 48.3 -60.3 -44.3 16.7 -14.5 9.2 150 7 B E H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.943 111.6 49.8 -63.6 -44.5 14.7 -11.3 9.7 151 8 B R H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.935 113.5 45.2 -59.8 -48.4 12.1 -12.3 7.1 152 9 B S H X S+ 0 0 87 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.883 112.5 52.7 -63.8 -38.9 11.6 -15.7 8.7 153 10 B A H X S+ 0 0 23 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.897 111.2 45.9 -62.7 -41.4 11.5 -14.1 12.2 154 11 B I H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.918 114.9 45.1 -70.9 -44.9 8.8 -11.7 11.2 155 12 B V H X S+ 0 0 83 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.918 116.0 47.6 -64.3 -42.8 6.6 -14.3 9.5 156 13 B G H X S+ 0 0 34 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.920 113.0 48.4 -65.4 -45.0 7.0 -16.8 12.3 157 14 B L H >X S+ 0 0 3 -4,-2.3 3,-1.4 -5,-0.2 4,-0.6 0.948 111.2 49.3 -57.4 -53.1 6.3 -14.2 14.9 158 15 B W H >< S+ 0 0 26 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.825 108.2 55.2 -58.5 -35.0 3.2 -12.9 13.2 159 16 B G H 3< S+ 0 0 69 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.683 107.1 50.4 -71.6 -17.7 1.9 -16.5 12.8 160 17 B K H << S+ 0 0 122 -3,-1.4 2,-0.3 -4,-0.8 -1,-0.2 0.417 97.1 75.2-108.2 -0.1 2.1 -17.2 16.5 161 18 B I S << S- 0 0 15 -4,-0.6 2,-0.8 -3,-0.6 3,-0.1 -0.838 76.1-128.5-107.2 152.5 0.3 -14.2 17.9 162 19 B S >> - 0 0 59 -2,-0.3 4,-3.1 1,-0.1 3,-1.6 -0.893 13.9-161.2 -99.1 108.6 -3.5 -13.6 17.9 163 20 B V H 3> S+ 0 0 16 -2,-0.8 4,-2.2 1,-0.3 48,-0.2 0.761 92.3 60.4 -61.7 -25.8 -4.0 -10.2 16.4 164 21 B D H 34 S+ 0 0 76 2,-0.2 -1,-0.3 3,-0.2 44,-0.1 0.660 113.0 37.6 -74.9 -17.9 -7.5 -10.2 18.0 165 22 B E H <> S+ 0 0 67 -3,-1.6 4,-1.6 3,-0.1 -2,-0.2 0.848 122.7 41.4 -90.9 -52.7 -5.8 -10.5 21.4 166 23 B I H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.888 109.0 56.7 -64.2 -46.4 -2.8 -8.2 20.7 167 24 B G H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.962 110.1 43.8 -54.3 -60.5 -4.5 -5.4 18.8 168 25 B P H > S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.900 116.3 49.4 -46.4 -48.2 -7.0 -4.6 21.6 169 26 B Q H X S+ 0 0 82 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.910 112.2 45.9 -62.8 -46.8 -4.2 -4.9 24.2 170 27 B A H X S+ 0 0 1 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.860 113.9 48.0 -67.2 -36.9 -1.8 -2.6 22.3 171 28 B L H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.935 112.6 47.8 -72.1 -44.8 -4.4 0.1 21.6 172 29 B A H X S+ 0 0 7 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.941 112.7 50.5 -55.2 -48.1 -5.7 0.2 25.1 173 30 B R H X S+ 0 0 21 -4,-2.3 4,-3.2 -5,-0.2 3,-0.4 0.898 110.2 49.7 -55.5 -48.9 -2.1 0.4 26.3 174 31 B L H X S+ 0 0 7 -4,-2.3 4,-3.2 1,-0.2 7,-0.3 0.935 108.1 52.4 -53.6 -51.6 -1.4 3.3 23.9 175 32 B L H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.772 118.2 38.2 -63.4 -22.7 -4.4 5.3 25.1 176 33 B I H < S+ 0 0 9 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.872 122.9 38.1 -93.6 -45.0 -3.3 4.9 28.7 177 34 B V H < S+ 0 0 5 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.800 130.0 32.1 -79.5 -31.5 0.5 5.3 28.4 178 35 B S S >< S+ 0 0 5 -4,-3.2 3,-2.5 -5,-0.3 -1,-0.3 -0.676 77.5 178.1-120.7 70.8 0.3 8.0 25.7 179 36 B P G > + 0 0 20 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.673 68.2 74.0 -58.3 -20.8 -3.0 9.7 26.8 180 37 B W G > S+ 0 0 18 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.743 81.8 74.2 -62.0 -21.7 -3.0 12.4 24.1 181 38 B T G X S+ 0 0 4 -3,-2.5 3,-2.0 -7,-0.3 -1,-0.3 0.716 74.5 78.9 -65.5 -21.3 -4.0 9.7 21.7 182 39 B Q G X> + 0 0 33 -3,-1.8 3,-1.5 1,-0.3 4,-0.8 0.673 69.4 87.0 -56.8 -19.8 -7.5 9.8 23.2 183 40 B R G <4 S+ 0 0 75 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.764 93.2 43.5 -44.8 -31.9 -7.9 12.9 21.0 184 41 B H G <4 S+ 0 0 46 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.533 116.5 43.0 -97.0 -8.6 -9.0 10.4 18.3 185 42 B F T X4 + 0 0 23 -3,-1.5 3,-2.7 -4,-0.2 -2,-0.2 0.287 64.7 116.7-127.4 11.2 -11.2 8.1 20.2 186 43 B S T 3< S+ 0 0 93 -4,-0.8 3,-0.3 1,-0.3 5,-0.1 0.663 79.6 57.9 -60.1 -16.2 -13.4 10.2 22.5 187 44 B T T 3 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.449 80.8 88.3 -90.3 -2.3 -16.5 8.9 20.5 188 45 B F S < S- 0 0 58 -3,-2.7 14,-0.4 1,-0.2 15,-0.3 0.134 101.4-105.7 -86.0 22.7 -15.7 5.2 21.3 189 46 B G S S+ 0 0 52 -3,-0.3 2,-0.5 13,-0.1 -1,-0.2 -0.682 80.9 13.2 94.3-145.9 -17.7 5.3 24.6 190 47 B N + 0 0 95 -2,-0.3 10,-0.1 1,-0.1 -3,-0.1 -0.582 53.6 148.2 -76.3 115.6 -16.3 5.4 28.1 191 48 B L + 0 0 19 -2,-0.5 -1,-0.1 -5,-0.1 6,-0.1 0.003 35.6 119.2-126.3 20.7 -12.5 6.2 28.3 192 49 B S S S+ 0 0 94 2,-0.0 -1,-0.1 4,-0.0 3,-0.0 0.739 78.6 19.9 -64.9 -26.6 -12.8 7.9 31.7 193 50 B T S > S- 0 0 63 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.952 81.2-106.3-136.4 158.4 -10.5 5.4 33.4 194 51 B P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 121.4 51.7 -36.4 -51.6 -7.7 2.9 32.6 195 52 B A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.923 108.2 48.8 -60.9 -48.4 -10.3 0.1 33.4 196 53 B A H > S+ 0 0 26 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.924 111.4 50.4 -58.8 -47.7 -13.0 1.5 31.1 197 54 B I H >< S+ 0 0 5 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.943 112.7 46.4 -54.0 -52.2 -10.5 1.8 28.2 198 55 B M H 3< S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.780 117.7 42.3 -66.9 -27.7 -9.3 -1.8 28.8 199 56 B G H 3< S+ 0 0 60 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.422 88.0 123.0 -91.5 0.3 -12.9 -3.0 29.0 200 57 B N S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.805 88.9 52.1 -61.2 -39.2 -15.4 -2.9 23.2 202 59 B A H > S+ 0 0 33 -14,-0.4 4,-1.8 2,-0.2 5,-0.1 0.867 111.1 45.9 -66.2 -42.5 -15.0 -0.2 20.6 203 60 B V H > S+ 0 0 1 -15,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.889 111.9 53.8 -68.7 -40.7 -11.3 0.3 21.3 204 61 B A H X S+ 0 0 24 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.946 108.9 47.7 -54.1 -52.3 -11.0 -3.4 21.3 205 62 B K H X S+ 0 0 97 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.853 112.3 50.7 -59.8 -36.1 -12.6 -3.6 17.8 206 63 B H H X S+ 0 0 57 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.839 104.8 54.8 -74.9 -33.6 -10.3 -0.8 16.6 207 64 B G H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.858 105.4 55.8 -61.2 -35.4 -7.1 -2.5 17.9 208 65 B K H X S+ 0 0 63 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.913 106.2 49.1 -64.8 -42.4 -8.2 -5.5 15.8 209 66 B T H X S+ 0 0 84 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.879 107.4 55.1 -68.9 -37.3 -8.3 -3.4 12.6 210 67 B V H X S+ 0 0 35 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.941 109.9 47.4 -54.2 -47.8 -4.9 -1.9 13.3 211 68 B M H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 3,-0.3 0.898 111.3 48.2 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49.2 -65.0 -39.7 5.5 33.9 12.8 318 27 C Q H X S+ 0 0 34 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.901 113.3 47.0 -60.6 -43.0 8.7 32.7 11.0 319 28 C A H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.925 116.0 43.1 -69.2 -45.8 9.3 30.0 13.6 320 29 C L H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.907 112.4 54.3 -64.1 -43.5 5.7 28.7 13.6 321 30 C S H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.911 110.8 46.1 -59.7 -41.7 5.6 28.9 9.8 322 31 C R H X>S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.7 0.901 109.5 53.1 -72.9 -38.1 8.7 26.8 9.5 323 32 C M H X5S+ 0 0 10 -4,-2.3 4,-1.9 3,-0.2 7,-0.3 0.972 113.5 44.5 -53.5 -52.6 7.5 24.2 12.0 324 33 C L H <5S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -2,-0.2 0.916 124.2 33.4 -60.6 -44.3 4.3 23.8 10.0 325 34 C V H <5S+ 0 0 18 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.911 124.7 38.6 -80.2 -48.0 6.0 23.7 6.6 326 35 C V H <5S+ 0 0 10 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.785 129.2 33.4 -77.0 -29.3 9.3 21.9 7.3 327 36 C Y ><< + 0 0 25 -4,-1.9 3,-2.5 -5,-0.7 4,-0.3 -0.610 69.3 173.3-125.9 70.6 7.7 19.5 9.8 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2,-0.3 -3,-0.3 -1,-0.3 0.206 86.5 113.0 -99.2 17.2 1.7 18.0 33.7 432 141 C Y < 0 0 13 -3,-1.1 -55,-0.1 -52,-0.1 -3,-0.0 -0.683 360.0 360.0 -83.0 139.0 1.3 15.2 31.1 433 142 C R 0 0 85 -2,-0.3 -256,-0.1 -53,-0.0 -255,-0.0 0.109 360.0 360.0 60.6 360.0 0.2 11.8 32.4 434 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 435 1 D V 0 0 68 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 12.5 8.6 -1.6 436 2 D D - 0 0 100 2,-0.0 2,-0.3 0, 0.0 77,-0.0 -0.809 360.0-171.3-109.5 92.8 10.0 10.7 -3.6 437 3 D W - 0 0 19 -2,-0.8 2,-0.3 4,-0.0 3,-0.0 -0.584 14.7-138.9 -78.2 139.3 11.4 14.1 -4.4 438 4 D T > - 0 0 73 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.680 26.5-113.6 -86.0 155.0 9.1 16.8 -6.0 439 5 D D H > S+ 0 0 133 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.909 119.8 54.0 -49.6 -45.8 10.5 19.0 -8.8 440 6 D A H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 109.6 46.2 -55.5 -48.2 10.3 22.0 -6.4 441 7 D E H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 112.8 50.6 -59.9 -47.7 12.4 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120.4-140.5 16.9 39.4 22.2 22.2 483 49 D S S S+ 0 0 103 4,-0.1 -2,-0.0 2,-0.0 3,-0.0 0.922 80.4 16.6 -57.0 -52.5 39.4 23.3 25.9 484 50 D T S > S- 0 0 74 1,-0.1 4,-1.7 0, 0.0 -17,-0.0 -0.703 85.3-103.9-116.5 167.3 37.0 26.3 25.5 485 51 D P H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.896 122.8 56.2 -56.1 -42.4 34.5 27.4 22.8 486 52 D A H > S+ 0 0 71 1,-0.2 4,-1.0 2,-0.2 5,-0.2 0.961 104.7 52.7 -50.5 -57.4 37.1 30.0 21.7 487 53 D A H 4 S+ 0 0 19 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.891 109.2 50.3 -41.6 -51.0 39.7 27.3 21.2 488 54 D I H >< S+ 0 0 3 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.921 101.9 57.8 -61.9 -48.7 37.3 25.2 19.0 489 55 D M H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.725 111.4 38.5 -63.8 -29.6 36.2 27.9 16.5 490 56 D G T 3< S+ 0 0 66 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.354 84.9 126.7 -98.1 4.1 39.6 28.9 15.1 491 57 D N <> - 0 0 13 -3,-1.6 4,-2.6 -4,-0.4 5,-0.1 -0.499 48.1-159.2 -67.1 113.9 40.9 25.3 15.2 492 58 D P H > S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.669 90.8 54.5 -73.7 -18.3 42.2 24.6 11.7 493 59 D A H > S+ 0 0 32 -14,-0.4 4,-2.7 2,-0.2 5,-0.3 0.939 111.1 44.0 -71.6 -53.9 41.9 20.8 12.2 494 60 D V H > S+ 0 0 2 -15,-0.3 4,-1.6 1,-0.2 -32,-0.1 0.907 117.1 50.4 -53.1 -41.8 38.2 21.2 13.1 495 61 D A H X S+ 0 0 26 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.945 109.1 47.9 -61.9 -51.4 38.1 23.5 10.2 496 62 D K H X S+ 0 0 159 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.910 115.0 45.1 -62.0 -43.1 39.8 21.2 7.6 497 63 D H H X S+ 0 0 53 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.774 109.5 57.8 -69.6 -28.4 37.5 18.2 8.6 498 64 D G H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.942 105.8 47.1 -61.0 -51.2 34.5 20.6 8.5 499 65 D K H X S+ 0 0 93 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.922 111.5 56.3 -60.3 -30.5 35.4 21.4 4.9 500 66 D T H X S+ 0 0 82 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.889 103.9 51.1 -62.9 -41.6 35.7 17.5 4.6 501 67 D V H X S+ 0 0 36 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.934 110.4 47.5 -60.7 -46.5 32.1 16.8 5.9 502 68 D M H >X S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.3 4,-0.7 0.856 108.2 53.0 -68.8 -37.0 30.4 19.2 3.5 503 69 D H H >< S+ 0 0 75 -4,-1.6 3,-0.6 1,-0.2 4,-0.5 0.814 100.9 65.1 -66.1 -27.5 32.2 17.9 0.5 504 70 D G H >< S+ 0 0 11 -4,-1.4 3,-0.6 1,-0.2 4,-0.4 0.837 99.8 50.2 -57.3 -35.0 30.9 14.6 1.7 505 71 D L H XX S+ 0 0 13 -4,-0.8 4,-1.9 -3,-0.7 3,-0.5 0.651 89.8 83.8 -80.2 -16.8 27.4 15.9 1.0 506 72 D D H S+ 0 0 88 -3,-0.6 4,-1.0 -4,-0.5 -1,-0.2 0.742 106.8 55.8 -79.3 -25.2 27.9 13.4 -3.9 508 74 D A H X4 S+ 0 0 0 -3,-0.5 3,-0.5 -4,-0.4 6,-0.2 0.920 109.4 44.6 -66.3 -44.3 24.5 13.4 -2.3 509 75 D V H >< S+ 0 0 19 -4,-1.9 3,-0.6 1,-0.3 -2,-0.2 0.877 107.9 61.2 -70.4 -35.0 23.4 16.6 -4.2 510 76 D Q H 3< S+ 0 0 163 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.811 122.6 18.4 -54.8 -36.4 25.0 15.1 -7.3 511 77 D N T X< + 0 0 77 -4,-1.0 3,-1.8 -3,-0.5 -1,-0.3 -0.602 62.3 172.5-145.8 84.1 22.5 12.2 -7.1 512 78 D L T < S+ 0 0 11 -3,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.641 81.6 58.7 -63.6 -16.7 19.5 12.7 -5.0 513 79 D D T 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.468 109.3 39.8 -96.1 0.2 18.0 9.4 -6.3 514 80 D D <> + 0 0 65 -3,-1.8 4,-1.4 -6,-0.2 3,-0.3 -0.017 68.7 126.5-137.2 30.5 20.9 7.2 -5.0 515 81 D I H > S+ 0 0 4 -3,-0.4 4,-1.3 1,-0.2 3,-0.4 0.900 70.4 60.7 -60.8 -42.2 21.8 8.6 -1.6 516 82 D K H 4 S+ 0 0 92 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.910 110.8 40.1 -51.3 -46.6 21.4 5.2 0.2 517 83 D N H >4 S+ 0 0 111 -3,-0.3 3,-0.7 1,-0.2 4,-0.3 0.738 105.3 66.9 -77.6 -21.9 24.1 3.6 -1.9 518 84 D T H 3< S+ 0 0 32 -4,-1.4 4,-0.3 -3,-0.4 3,-0.3 0.870 104.9 41.4 -66.7 -34.6 26.4 6.7 -1.9 519 85 D Y T 3X S+ 0 0 2 -4,-1.3 4,-3.1 -3,-0.3 5,-0.2 0.271 77.8 106.2-103.7 11.5 27.1 6.4 1.9 520 86 D V H <> S+ 0 0 51 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.940 86.5 43.7 -54.5 -52.5 27.6 2.6 2.4 521 87 D T H > S+ 0 0 114 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.957 117.3 44.6 -58.9 -53.9 31.4 2.9 2.7 522 88 D L H > S+ 0 0 39 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.863 110.1 56.6 -57.8 -39.5 31.3 6.0 5.0 523 89 D S H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.963 109.3 44.5 -61.4 -50.1 28.5 4.5 7.1 524 90 D V H X>S+ 0 0 64 -4,-2.3 4,-3.0 -5,-0.2 5,-0.6 0.893 112.7 53.3 -65.8 -29.5 30.6 1.4 7.9 525 91 D M H X>S+ 0 0 65 -4,-2.1 5,-2.4 1,-0.2 4,-1.8 0.949 109.8 45.9 -66.5 -49.4 33.6 3.6 8.6 526 92 D H H <5S+ 0 0 28 -4,-2.7 6,-3.2 3,-0.2 -1,-0.2 0.807 120.8 41.4 -62.5 -29.6 31.8 5.7 11.1 527 93 D S H <5S+ 0 0 9 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.946 127.3 23.0 -82.4 -52.8 30.3 2.7 12.7 528 94 D E H <5S+ 0 0 95 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.719 133.0 29.7 -96.6 -25.8 33.1 0.1 12.8 529 95 D K T < - 0 0 2 -2,-0.5 3,-2.7 1,-0.2 4,-0.3 -0.552 22.8-138.0 -59.1 115.9 26.9 7.3 17.6 534 100 D P T >> S+ 0 0 18 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.662 97.4 76.9 -61.1 -14.0 24.8 8.0 14.4 535 101 D D H 3> S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.789 83.6 66.6 -61.5 -27.5 22.6 10.3 16.4 536 102 D N H <> S+ 0 0 10 -3,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.753 91.0 62.7 -64.4 -20.8 25.5 12.8 16.1 537 103 D F H <> S+ 0 0 16 -3,-1.2 4,-2.7 -4,-0.3 -1,-0.2 0.917 103.1 48.0 -65.5 -44.5 24.7 12.9 12.3 538 104 D R H X S+ 0 0 91 -4,-0.8 4,-2.5 -3,-0.2 -2,-0.2 0.949 112.8 48.7 -57.0 -49.1 21.3 14.3 13.1 539 105 D L H X S+ 0 0 24 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.871 111.2 49.5 -62.6 -39.2 22.9 16.9 15.4 540 106 D L H X S+ 0 0 24 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.939 109.5 52.2 -65.3 -45.4 25.5 17.8 12.9 541 107 D A H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.905 108.1 51.4 -53.2 -47.2 22.7 18.2 10.2 542 108 D D H X S+ 0 0 32 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.901 109.5 50.2 -59.4 -39.7 20.9 20.5 12.6 543 109 D C H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.890 108.4 52.5 -64.9 -42.0 24.0 22.6 13.1 544 110 D I H X S+ 0 0 6 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.930 107.9 51.4 -55.3 -49.6 24.5 22.8 9.3 545 111 D T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.928 110.0 49.8 -52.5 -48.2 20.9 24.1 9.0 546 112 D V H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.898 112.7 47.0 -59.0 -44.8 21.6 26.8 11.6 547 113 D C H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.894 112.5 48.0 -64.2 -42.3 24.8 27.9 9.8 548 114 D V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.913 112.3 50.6 -66.3 -42.0 23.1 28.0 6.4 549 115 D A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.892 111.7 46.5 -60.9 -46.3 20.2 30.0 7.8 550 116 D A H < S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.857 115.5 48.1 -64.6 -38.6 22.5 32.5 9.5 551 117 D K H < S+ 0 0 99 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.936 124.2 26.6 -65.6 -50.7 24.6 32.8 6.3 552 118 D L H X S- 0 0 35 -4,-2.8 4,-0.6 -5,-0.1 3,-0.2 0.695 101.6-136.7 -91.5 -23.0 21.7 33.3 3.8 553 119 D G H X - 0 0 12 -4,-2.3 4,-2.3 -5,-0.3 -149,-0.1 -0.030 33.7 -64.3 82.7 170.4 19.0 34.9 6.0 554 120 D P H 4 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.650 126.7 50.1 -70.9 -21.2 15.2 34.3 6.4 555 121 D A H 4 S+ 0 0 88 -3,-0.2 3,-0.5 -152,-0.1 -2,-0.1 0.939 118.1 34.9 -81.8 -55.1 14.2 35.4 2.8 556 122 D V H < S+ 0 0 62 -4,-0.6 2,-1.5 1,-0.3 -3,-0.1 0.923 121.5 49.5 -63.1 -48.9 16.7 33.4 0.8 557 123 D F S < S+ 0 0 0 -4,-2.3 -1,-0.3 -8,-0.2 -4,-0.1 -0.541 91.7 171.7 -93.8 68.4 16.5 30.4 3.3 558 124 D S > - 0 0 36 -2,-1.5 4,-2.8 -3,-0.5 5,-0.2 -0.107 49.8 -96.1 -71.8 174.1 12.7 30.6 3.2 559 125 D A H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.885 126.4 49.0 -64.2 -40.4 10.4 28.0 4.8 560 126 D D H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.864 111.9 49.6 -68.9 -37.3 10.0 26.1 1.5 561 127 D T H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.930 111.4 48.1 -64.4 -44.4 13.8 26.1 1.0 562 128 D Q H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.847 107.5 57.9 -63.2 -33.3 14.3 24.8 4.5 563 129 D E H X S+ 0 0 40 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.946 110.9 40.9 -63.4 -49.5 11.6 22.2 3.8 564 130 D A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.910 116.3 50.1 -60.3 -48.7 13.6 20.8 0.8 565 131 D F H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.884 110.0 49.4 -60.8 -43.5 16.9 21.1 2.7 566 132 D Q H X S+ 0 0 32 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.917 110.0 51.1 -62.6 -45.1 15.6 19.3 5.8 567 133 D K H X S+ 0 0 46 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.936 111.9 49.1 -55.1 -45.8 14.2 16.4 3.7 568 134 D F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.941 111.9 47.2 -56.9 -52.6 17.7 16.2 2.0 569 135 D L H X S+ 0 0 7 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.901 109.9 53.2 -60.6 -43.7 19.5 16.2 5.4 570 136 D A H X S+ 0 0 50 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.898 109.1 49.0 -57.5 -43.8 17.1 13.5 6.8 571 137 D V H X S+ 0 0 25 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.928 113.7 46.9 -61.5 -45.2 17.8 11.2 3.7 572 138 D V H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.921 111.6 50.1 -63.9 -41.6 21.6 11.7 4.2 573 139 D V H X S+ 0 0 35 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.928 111.5 49.0 -62.0 -44.8 21.4 11.1 7.9 574 140 D S H >X S+ 0 0 64 -4,-2.5 4,-0.6 1,-0.2 3,-0.6 0.942 111.7 49.5 -59.8 -47.9 19.4 7.9 7.3 575 141 D A H >< S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.2 4,-0.4 0.886 108.5 52.5 -56.8 -42.2 22.0 6.8 4.7 576 142 D L H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.749 113.9 44.0 -69.1 -26.2 24.9 7.4 7.0 577 143 D G H X< S+ 0 0 24 -4,-1.4 3,-1.3 -3,-0.6 -1,-0.3 0.431 88.0 95.1 -90.3 -3.4 23.3 5.3 9.7 578 144 D R T << S+ 0 0 77 -3,-1.0 -2,-0.1 -4,-0.6 -1,-0.1 0.786 81.5 49.9 -65.3 -30.8 22.2 2.5 7.3 579 145 D Q T 3 S+ 0 0 70 -4,-0.4 2,-0.5 -3,-0.2 -1,-0.3 0.269 76.7 118.4 -99.5 11.8 25.3 0.2 7.9 580 146 D Y < 0 0 23 -3,-1.3 -542,-0.2 1,-0.2 -56,-0.1 -0.703 360.0 360.0 -74.7 119.9 25.2 0.1 11.7 581 147 D H 0 0 133 -2,-0.5 -1,-0.2 -544,-0.2 -543,-0.1 0.313 360.0 360.0-131.8 360.0 24.7 -3.4 12.9