==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 11-OCT-04 1XQ5 . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA-1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PERCA FLAVESCENS; . AUTHOR CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS (CESG) . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 76.4 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 . 81 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 330 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 0 2 1 1 0 0 0 4 0 5 0 1 6 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 S 0 0 87 0, 0.0 2,-0.3 0, 0.0 431,-0.1 0.000 360.0 360.0 360.0 135.1 20.6 -17.1 47.0 2 2 A L - 0 0 23 72,-0.2 123,-0.0 126,-0.1 2,-0.0 -0.589 360.0-135.3 -84.6 140.1 20.9 -17.3 43.2 3 3 A S > - 0 0 50 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.152 29.9-106.0 -77.0 177.4 18.4 -19.3 41.1 4 4 A S H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.894 126.0 55.6 -74.5 -31.5 19.4 -21.7 38.4 5 5 A K H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 107.2 47.5 -58.3 -47.8 18.2 -18.9 36.1 6 6 A D H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 111.3 51.5 -62.0 -46.4 20.6 -16.4 37.7 7 7 A K H X S+ 0 0 42 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.911 110.3 47.1 -61.0 -47.4 23.5 -18.8 37.5 8 8 A D H X S+ 0 0 95 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.940 111.9 51.5 -60.7 -44.6 23.1 -19.6 33.8 9 9 A T H X S+ 0 0 22 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.895 112.8 45.0 -55.4 -45.3 22.7 -15.8 33.0 10 10 A V H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.927 114.8 47.6 -67.9 -45.7 25.9 -15.1 34.9 11 11 A K H X S+ 0 0 91 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.864 113.2 48.7 -62.8 -38.9 27.8 -18.0 33.3 12 12 A A H X S+ 0 0 51 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.938 111.5 49.4 -66.8 -51.4 26.5 -17.0 29.8 13 13 A L H X S+ 0 0 5 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.944 108.9 53.0 -44.3 -52.0 27.6 -13.4 30.5 14 14 A W H < S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 109.0 49.7 -62.3 -34.4 31.0 -14.7 31.6 15 15 A G H >< S+ 0 0 49 -4,-1.6 3,-2.1 -3,-0.2 -1,-0.2 0.961 109.0 51.9 -56.0 -57.8 31.4 -16.7 28.3 16 16 A K H 3< S+ 0 0 127 -4,-2.4 3,-0.4 1,-0.3 4,-0.2 0.821 102.5 57.9 -57.3 -37.2 30.5 -13.7 26.1 17 17 A I T >X S+ 0 0 1 -4,-2.1 4,-1.0 -5,-0.2 3,-0.5 0.305 76.4 122.2 -78.5 15.0 33.0 -11.4 27.7 18 18 A A G X4 S+ 0 0 64 -3,-2.1 3,-1.1 1,-0.2 4,-0.3 0.862 75.0 31.1 -36.4 -71.3 35.8 -13.8 26.8 19 19 A D G 34 S+ 0 0 149 -3,-0.4 -1,-0.2 1,-0.3 4,-0.2 0.675 124.0 49.4 -71.5 -21.0 38.2 -11.8 24.6 20 20 A K G <> S+ 0 0 90 -3,-0.5 4,-3.4 -4,-0.2 -1,-0.3 0.438 81.3 99.9 -97.5 -7.4 37.4 -8.6 26.5 21 21 A A H S+ 0 0 86 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.912 117.9 46.9 -67.8 -42.1 41.3 -8.6 31.0 23 23 A E H > S+ 0 0 97 -4,-0.2 4,-2.6 1,-0.2 5,-0.3 0.929 109.0 55.5 -65.6 -43.2 40.6 -5.3 29.4 24 24 A I H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.904 109.6 47.1 -52.5 -44.3 37.2 -5.1 31.2 25 25 A G H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.901 111.2 49.4 -66.7 -43.1 39.0 -5.6 34.6 26 26 A S H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.945 115.4 43.9 -56.8 -51.3 41.7 -3.0 33.9 27 27 A D H X S+ 0 0 48 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.884 112.2 52.7 -65.3 -40.8 39.0 -0.4 32.8 28 28 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.875 110.9 47.9 -58.9 -43.3 36.7 -1.3 35.8 29 29 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.888 110.9 50.6 -64.6 -41.2 39.6 -0.8 38.2 30 30 A S H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.926 109.7 51.7 -61.1 -43.2 40.4 2.6 36.4 31 31 A R H X S+ 0 0 13 -4,-2.6 4,-3.4 1,-0.2 5,-0.5 0.948 109.7 49.0 -59.6 -49.9 36.7 3.5 36.9 32 32 A M H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 7,-0.3 0.923 111.8 48.0 -53.4 -49.9 36.8 2.7 40.6 33 33 A L H < S+ 0 0 2 -4,-2.3 7,-0.2 1,-0.2 -1,-0.2 0.838 120.9 35.9 -63.9 -36.9 40.0 4.7 41.2 34 34 A A H < S+ 0 0 46 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.887 123.6 39.2 -83.1 -44.1 38.8 7.8 39.4 35 35 A V H < S+ 0 0 14 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.858 129.7 30.2 -78.8 -34.0 35.0 7.8 40.3 36 36 A Y >< + 0 0 18 -4,-2.3 3,-2.5 -5,-0.5 -1,-0.3 -0.691 66.5 176.4-127.7 75.9 35.5 6.7 43.9 37 37 A P G > S+ 0 0 55 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.637 70.0 83.6 -64.2 -15.5 39.0 8.0 45.0 38 38 A Q G > S+ 0 0 58 1,-0.2 3,-0.6 2,-0.1 4,-0.2 0.819 87.7 59.3 -42.3 -35.4 38.3 6.6 48.6 39 39 A T G X S+ 0 0 2 -3,-2.5 3,-1.4 -7,-0.3 4,-0.4 0.696 81.6 81.6 -79.6 -15.5 39.7 3.4 46.9 40 40 A K G X S+ 0 0 96 -3,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.801 76.6 72.2 -62.0 -33.0 43.1 4.9 46.0 41 41 A T G X S+ 0 0 62 -3,-0.6 3,-0.9 -4,-0.5 -1,-0.3 0.788 92.5 56.0 -50.5 -34.4 44.6 4.4 49.5 42 42 A Y G < S+ 0 0 29 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.662 112.9 41.0 -77.2 -15.2 44.7 0.6 49.0 43 43 A F G X S+ 0 0 30 -3,-1.8 3,-0.9 -4,-0.4 -1,-0.2 -0.103 70.5 127.3-122.9 35.8 46.8 1.0 45.8 44 44 A S T < + 0 0 91 -3,-0.9 2,-0.8 1,-0.3 -1,-0.1 0.857 64.7 72.7 -61.0 -35.0 49.2 3.7 47.0 45 45 A H T 3 S+ 0 0 123 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 -0.006 86.5 93.5 -70.2 29.1 52.0 1.5 46.0 46 46 A W < - 0 0 47 -3,-0.9 3,-0.1 -2,-0.8 -3,-0.0 -0.467 61.0-149.6-115.2-165.9 51.2 2.2 42.3 47 47 A K S S+ 0 0 152 1,-0.3 2,-0.1 -2,-0.2 -1,-0.1 0.892 79.7 15.8-106.8 -57.0 52.3 4.7 39.6 48 48 A D - 0 0 87 2,-0.1 8,-0.4 0, 0.0 -1,-0.3 -0.883 55.0-165.9 121.9 62.9 49.9 5.4 37.3 49 49 A L + 0 0 49 -2,-0.1 -16,-0.1 -3,-0.1 -15,-0.1 0.392 54.5 112.7 -90.8 -0.0 46.2 4.7 38.0 50 50 A S S > S- 0 0 59 1,-0.1 3,-0.9 -17,-0.1 6,-0.3 -0.269 79.2-100.0 -66.1 158.3 45.0 5.2 34.5 51 51 A P T 3 S+ 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.440 111.8 38.0 -71.4 161.6 43.7 2.1 32.6 52 52 A G T 3 S+ 0 0 53 1,-0.3 2,-0.1 -29,-0.1 -2,-0.1 0.155 85.4 122.7 81.5 -24.9 46.4 0.8 30.2 53 53 A S S <> S- 0 0 8 -3,-0.9 4,-2.5 1,-0.1 -1,-0.3 -0.488 74.8-117.0 -65.4 142.5 49.0 1.6 32.8 54 54 A A H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 108.6 49.0 -61.2 -43.7 50.9 -1.7 33.5 55 55 A P H > S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.924 116.1 44.7 -58.8 -42.4 50.0 -2.2 37.3 56 56 A V H > S+ 0 0 0 -8,-0.4 4,-2.4 -6,-0.3 -2,-0.2 0.888 113.2 52.1 -67.1 -40.1 46.3 -1.6 36.6 57 57 A N H X S+ 0 0 41 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.946 113.6 42.2 -60.1 -51.2 46.4 -3.8 33.6 58 58 A K H X S+ 0 0 104 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.895 115.5 47.9 -68.3 -43.2 47.9 -6.7 35.5 59 59 A H H X S+ 0 0 48 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.848 106.7 58.2 -67.6 -32.2 45.8 -6.3 38.6 60 60 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.915 105.1 51.0 -58.5 -43.1 42.6 -6.1 36.4 61 61 A K H X S+ 0 0 94 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.908 110.3 50.8 -53.4 -46.9 43.6 -9.5 35.0 62 62 A T H X S+ 0 0 88 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.934 109.2 48.9 -61.0 -47.1 43.9 -10.7 38.6 63 63 A I H X S+ 0 0 33 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.955 111.2 48.8 -58.7 -50.0 40.4 -9.3 39.6 64 64 A M H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.838 108.7 56.0 -59.8 -31.6 38.7 -11.0 36.7 65 65 A G H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.903 105.5 50.0 -65.3 -44.7 40.5 -14.2 37.6 66 66 A G H X S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.833 113.3 48.0 -57.7 -35.8 39.0 -14.1 41.1 67 67 A I H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.880 106.8 52.2 -80.1 -34.7 35.6 -13.6 39.5 68 68 A V H X S+ 0 0 77 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 109.8 53.7 -63.5 -33.5 36.0 -16.4 37.0 69 69 A D H X S+ 0 0 66 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.931 107.7 49.3 -54.7 -51.8 36.9 -18.4 40.3 70 70 A A H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.910 109.1 52.4 -56.8 -46.1 33.6 -17.2 41.8 71 71 A V H >< S+ 0 0 14 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.933 109.4 48.0 -57.2 -45.8 31.8 -18.3 38.6 72 72 A A H 3< S+ 0 0 86 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.795 120.7 38.9 -65.2 -25.6 33.3 -21.8 38.8 73 73 A S T >< S+ 0 0 32 -4,-1.7 3,-1.8 -5,-0.2 7,-0.3 -0.005 77.0 127.1-108.3 22.3 32.3 -21.9 42.5 74 74 A I T < + 0 0 9 -3,-1.4 3,-0.4 1,-0.3 -72,-0.2 0.746 65.3 65.9 -56.6 -21.7 28.9 -20.1 42.0 75 75 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.794 122.3 11.1 -72.6 -28.0 27.1 -23.0 43.8 76 76 A D <> + 0 0 96 -3,-1.8 4,-1.7 -6,-0.2 -1,-0.3 -0.723 67.4 171.5-151.8 89.9 28.9 -22.2 47.1 77 77 A L H > S+ 0 0 14 -3,-0.4 4,-2.0 -2,-0.2 5,-0.1 0.834 75.0 64.0 -75.9 -33.9 30.6 -18.9 47.0 78 78 A N H 4 S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.959 110.9 37.5 -52.1 -55.2 31.4 -18.8 50.7 79 79 A A H >4 S+ 0 0 60 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.902 115.9 52.5 -62.1 -42.1 33.6 -21.9 50.4 80 80 A G H 3< S+ 0 0 28 -4,-1.7 3,-0.2 -7,-0.3 -1,-0.2 0.802 114.6 39.9 -73.0 -27.8 35.2 -21.0 47.0 81 81 A L T 3X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 -1,-0.3 0.175 78.8 112.6-106.7 18.0 36.3 -17.5 48.0 82 82 A L H <> S+ 0 0 86 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.901 78.7 49.2 -58.1 -42.7 37.6 -18.3 51.6 83 83 A A H > S+ 0 0 78 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.933 114.3 45.0 -64.9 -46.9 41.2 -17.6 50.7 84 84 A L H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 111.1 54.0 -66.0 -35.6 40.4 -14.3 49.0 85 85 A S H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.964 109.8 47.0 -58.4 -54.1 38.1 -13.4 52.0 86 86 A E H X>S+ 0 0 70 -4,-2.6 4,-3.0 1,-0.2 5,-0.7 0.882 113.4 49.1 -53.5 -42.6 41.0 -14.0 54.4 87 87 A L H X>S+ 0 0 69 -4,-2.0 5,-2.3 1,-0.2 4,-0.6 0.912 111.9 46.9 -70.3 -40.3 43.4 -12.0 52.3 88 88 A H H <5S+ 0 0 37 -4,-2.5 6,-3.2 3,-0.2 -1,-0.2 0.759 119.5 43.4 -73.9 -21.0 41.1 -9.0 51.9 89 89 A A H <5S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.943 130.9 12.3 -80.4 -57.7 40.4 -9.2 55.7 90 90 A F H <5S+ 0 0 101 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.858 127.6 41.2-100.7 -37.6 43.8 -9.7 57.2 91 91 A T T < - 0 0 0 -2,-0.5 3,-3.2 1,-0.2 4,-0.3 -0.472 19.0-140.6 -57.6 114.2 36.8 -2.0 54.0 96 96 A P T >> S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.834 98.8 78.0 -48.3 -34.6 33.9 -4.4 53.0 97 97 A A H 3> S+ 0 0 24 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.794 89.2 57.3 -34.9 -37.1 32.1 -1.1 52.1 98 98 A N H <> S+ 0 0 13 -3,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.664 82.8 77.6 -83.6 -18.7 34.3 -1.1 48.9 99 99 A F H <> S+ 0 0 20 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.2 0.912 96.2 50.5 -58.7 -40.3 33.3 -4.5 47.4 100 100 A K H X S+ 0 0 79 -4,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.855 105.4 56.2 -65.8 -35.8 30.0 -3.0 46.1 101 101 A I H X S+ 0 0 16 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.966 109.3 45.8 -59.8 -50.3 31.9 -0.1 44.6 102 102 A L H X S+ 0 0 29 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.918 112.4 51.3 -56.3 -44.1 34.0 -2.4 42.5 103 103 A S H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.902 109.1 50.2 -61.8 -44.8 31.0 -4.5 41.5 104 104 A H H X S+ 0 0 9 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.931 110.9 49.5 -57.5 -48.0 29.2 -1.4 40.4 105 105 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.825 109.5 51.3 -65.3 -35.5 32.2 -0.3 38.3 106 106 A I H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.927 111.9 47.8 -61.6 -46.7 32.4 -3.8 36.7 107 107 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.907 112.6 48.3 -63.1 -42.8 28.7 -3.6 35.8 108 108 A V H X S+ 0 0 0 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.908 111.7 49.5 -59.6 -46.4 29.1 -0.1 34.4 109 109 A L H >X S+ 0 0 3 -4,-2.1 4,-1.1 1,-0.2 3,-0.7 0.960 111.7 49.6 -60.8 -45.9 32.1 -1.1 32.3 110 110 A L H >X S+ 0 0 0 -4,-2.8 4,-3.7 1,-0.2 3,-0.6 0.891 106.2 55.8 -56.3 -43.5 30.2 -4.1 31.0 111 111 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.757 103.6 53.5 -66.1 -27.6 27.2 -2.0 30.0 112 112 A V H << S+ 0 0 17 -4,-1.4 151,-0.3 -3,-0.7 -1,-0.2 0.772 121.4 32.7 -73.7 -26.8 29.3 0.3 27.8 113 113 A K H << S+ 0 0 46 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.796 133.1 25.1 -98.0 -36.2 30.6 -2.7 26.0 114 114 A F >< + 0 0 22 -4,-3.7 3,-2.0 -5,-0.2 4,-0.3 -0.343 67.5 154.4-128.1 54.1 27.7 -5.2 26.0 115 115 A P G > + 0 0 46 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.797 68.5 63.6 -60.5 -33.6 24.6 -3.0 26.4 116 116 A K G 3 S+ 0 0 138 1,-0.3 3,-0.1 -3,-0.1 -5,-0.1 0.741 97.1 60.3 -63.0 -19.5 22.3 -5.6 24.7 117 117 A D G < S+ 0 0 22 -3,-2.0 2,-1.0 1,-0.2 -1,-0.3 0.536 84.6 83.7 -82.8 -6.3 23.0 -8.0 27.6 118 118 A F < + 0 0 8 -3,-2.1 -1,-0.2 -4,-0.3 141,-0.1 -0.497 51.6 151.6-101.1 65.8 21.7 -5.5 30.2 119 119 A T > - 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0 0 124 0, 0.0 2,-0.4 0, 0.0 77,-0.0 -0.974 360.0-158.1-111.7 121.7 32.7 23.4 43.4 146 3 B W - 0 0 18 -2,-0.5 2,-0.1 4,-0.0 126,-0.0 -0.822 8.5-137.2-100.1 134.6 32.4 22.2 39.8 147 4 B T > - 0 0 70 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.369 30.7-107.6 -72.7 166.7 35.2 22.2 37.3 148 5 B D H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 120.4 52.6 -61.8 -44.7 34.5 23.3 33.8 149 6 B F H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 108.5 52.9 -59.9 -41.9 34.7 19.7 32.4 150 7 B E H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 110.5 44.9 -60.1 -48.5 32.2 18.6 35.1 151 8 B R H X S+ 0 0 88 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.926 117.4 45.4 -59.7 -46.3 29.6 21.3 34.2 152 9 B A H X S+ 0 0 58 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.897 112.9 50.3 -61.1 -48.2 30.0 20.7 30.5 153 10 B T H X S+ 0 0 11 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.913 113.1 45.1 -61.3 -47.6 29.9 16.9 30.9 154 11 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.931 115.2 46.6 -64.0 -46.1 26.7 17.0 33.0 155 12 B A H X S+ 0 0 50 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.926 113.5 51.3 -61.7 -39.6 24.9 19.4 30.7 156 13 B D H X S+ 0 0 72 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.848 108.3 50.7 -67.7 -41.9 26.1 17.3 27.8 157 14 B I H >X S+ 0 0 0 -4,-2.5 3,-1.7 2,-0.2 4,-1.0 0.983 112.0 45.8 -57.7 -55.9 24.8 14.0 29.2 158 15 B F H >< S+ 0 0 3 -4,-2.4 3,-0.7 1,-0.3 -2,-0.2 0.867 106.0 60.6 -62.5 -32.8 21.3 15.5 29.9 159 16 B S H 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.732 107.7 47.1 -59.3 -25.6 21.3 17.0 26.4 160 17 B K H << S+ 0 0 106 -3,-1.7 2,-0.5 -4,-0.8 -1,-0.2 0.615 94.2 91.0 -92.0 -17.1 21.6 13.4 25.0 161 18 B L << - 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0 0 13 -3,-1.3 2,-0.8 -4,-0.6 3,-0.1 -0.775 66.7-143.3 -94.9 132.0 29.0 10.4 80.9 452 19 D D > - 0 0 100 -2,-0.4 4,-3.1 1,-0.2 5,-0.4 -0.848 22.3-151.5 -77.6 112.6 32.6 10.1 82.0 453 20 D Y H > S+ 0 0 39 -2,-0.8 4,-2.4 1,-0.2 5,-0.3 0.860 91.1 46.6 -63.3 -37.4 34.1 11.0 78.6 454 21 D E H > S+ 0 0 138 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.969 116.3 44.1 -67.2 -54.4 37.3 8.9 79.0 455 22 D A H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.941 122.2 37.4 -49.2 -57.5 35.4 5.9 80.3 456 23 D V H X S+ 0 0 3 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.887 117.2 52.0 -70.0 -40.9 32.6 6.0 77.6 457 24 D G H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.4 5,-0.3 0.961 112.7 43.5 -61.0 -49.4 35.0 7.2 74.8 458 25 D G H X S+ 0 0 14 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.916 116.8 47.7 -64.7 -41.0 37.5 4.4 75.3 459 26 D A H X S+ 0 0 36 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.857 112.6 49.8 -67.6 -42.7 34.7 1.8 75.7 460 27 D T H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.935 113.3 42.7 -60.3 -51.5 32.9 3.1 72.6 461 28 D L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.918 114.3 50.9 -71.2 -36.3 35.9 3.0 70.3 462 29 D A H X S+ 0 0 5 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.929 110.0 51.6 -65.2 -38.9 37.1 -0.3 71.6 463 30 D R H X S+ 0 0 23 -4,-2.0 4,-3.1 1,-0.2 3,-0.5 0.946 110.2 48.3 -59.7 -48.9 33.5 -1.7 71.0 464 31 D C H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 7,-0.3 0.931 110.9 50.3 -57.3 -43.6 33.5 -0.4 67.5 465 32 D L H < S+ 0 0 5 -4,-2.5 7,-0.2 1,-0.2 -1,-0.2 0.767 117.9 40.0 -70.3 -21.4 37.0 -1.9 66.8 466 33 D I H < S+ 0 0 12 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.846 121.0 39.2 -93.0 -45.3 35.9 -5.4 68.1 467 34 D V H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.855 131.1 29.7 -72.4 -35.5 32.4 -5.6 66.7 468 35 D Y S >< S+ 0 0 17 -4,-2.5 3,-2.5 -5,-0.4 4,-0.3 -0.665 73.8 177.8-125.0 70.3 33.3 -4.0 63.3 469 36 D P G > S+ 0 0 14 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.715 70.8 71.5 -55.5 -27.6 37.0 -5.1 62.9 470 37 D W G > S+ 0 0 38 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.686 85.4 68.4 -58.6 -20.9 37.4 -3.5 59.5 471 38 D T G X S+ 0 0 5 -3,-2.5 3,-1.4 -7,-0.3 4,-0.4 0.729 80.1 78.1 -74.7 -18.3 37.3 -0.1 61.2 472 39 D Q G X S+ 0 0 27 -3,-1.9 3,-1.4 -4,-0.3 -1,-0.3 0.787 79.0 72.8 -57.4 -26.0 40.7 -0.9 62.7 473 40 D R G X S+ 0 0 72 -3,-1.1 3,-0.9 1,-0.3 -1,-0.3 0.824 88.0 58.3 -64.7 -30.0 42.2 -0.0 59.3 474 41 D Y G < S+ 0 0 61 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.738 107.2 49.4 -70.2 -21.7 41.6 3.7 59.8 475 42 D F G X + 0 0 45 -3,-1.4 3,-0.6 -4,-0.4 4,-0.3 -0.321 67.6 150.4-111.6 44.9 43.7 3.6 63.0 476 43 D G T < + 0 0 60 -3,-0.9 2,-0.5 1,-0.3 3,-0.3 0.741 66.9 56.9 -53.5 -28.5 46.8 1.7 61.6 477 44 D N T 3 S+ 0 0 157 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.0 -0.452 81.8 86.7-106.4 59.6 49.2 3.4 64.0 478 45 D F S < S- 0 0 39 -3,-0.6 14,-0.3 -2,-0.5 2,-0.3 0.690 88.6-105.3-117.0 -46.9 47.7 2.5 67.5 479 46 D G S S+ 0 0 46 -4,-0.3 2,-0.5 -3,-0.3 -1,-0.2 -0.849 77.9 40.1 159.4-117.4 49.1 -0.9 68.5 480 47 D N - 0 0 87 6,-0.3 10,-0.1 -2,-0.3 0, 0.0 -0.591 33.6-177.0 -80.7 116.2 47.7 -4.4 68.6 481 48 D L + 0 0 126 -2,-0.5 -1,-0.1 -5,-0.1 3,-0.1 0.156 68.0 97.6 -84.1 17.1 45.5 -5.6 65.7 482 49 D Y S S- 0 0 190 1,-0.1 5,-0.1 2,-0.0 -3,-0.0 0.432 76.8 -10.4 -84.4-145.3 45.3 -8.7 67.9 483 50 D N > - 0 0 101 1,-0.1 4,-1.3 3,-0.1 3,-0.5 0.114 65.8-106.5 -49.4 162.0 42.8 -10.0 70.6 484 51 D A H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.786 123.8 61.7 -57.7 -29.8 39.9 -8.1 72.0 485 52 D A H > S+ 0 0 69 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.833 100.6 50.6 -65.4 -36.3 42.1 -8.0 75.1 486 53 D A H 4 S+ 0 0 24 -3,-0.5 -6,-0.3 2,-0.2 -1,-0.2 0.841 113.5 45.2 -69.1 -37.4 44.8 -6.0 73.2 487 54 D I H >< S+ 0 0 6 -4,-1.3 3,-1.2 1,-0.2 -2,-0.2 0.920 111.2 54.7 -71.2 -46.0 42.2 -3.5 72.0 488 55 D M H 3< S+ 0 0 106 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.771 114.1 38.4 -60.1 -33.5 40.7 -3.3 75.5 489 56 D G T 3< S+ 0 0 62 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.358 85.3 126.2 -98.8 5.8 44.0 -2.4 77.2 490 57 D N <> - 0 0 13 -3,-1.2 4,-1.8 1,-0.2 5,-0.1 -0.481 43.0-166.1 -70.8 118.2 45.2 -0.1 74.3 491 58 D P H > S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.846 88.2 54.1 -75.8 -30.4 46.1 3.3 75.8 492 59 D M H > S+ 0 0 80 -14,-0.3 4,-2.2 2,-0.2 5,-0.1 0.853 109.2 49.9 -67.6 -37.2 46.1 5.0 72.3 493 60 D I H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.911 110.7 48.6 -66.0 -43.1 42.6 3.6 71.7 494 61 D A H X S+ 0 0 40 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.946 111.4 51.4 -61.5 -48.5 41.5 5.0 75.1 495 62 D K H X S+ 0 0 107 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.897 113.8 42.7 -48.0 -51.3 43.1 8.3 74.2 496 63 D H H X S+ 0 0 46 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.892 109.6 56.2 -74.8 -37.8 41.4 8.6 70.9 497 64 D G H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.895 108.4 49.8 -51.5 -43.8 38.0 7.4 72.2 498 65 D T H X S+ 0 0 21 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.908 107.1 54.0 -65.4 -41.2 38.2 10.3 74.7 499 66 D T H X S+ 0 0 77 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.931 105.8 53.5 -58.6 -46.4 39.0 12.7 71.9 500 67 D I H X S+ 0 0 42 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.932 108.6 50.1 -53.9 -49.5 35.9 11.6 70.0 501 68 D L H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.899 109.6 48.7 -59.7 -40.9 33.7 12.3 73.2 502 69 D H H X S+ 0 0 105 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.890 108.6 55.4 -66.0 -32.6 35.1 15.8 73.6 503 70 D G H X S+ 0 0 12 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.892 108.0 48.5 -64.1 -39.2 34.4 16.4 69.9 504 71 D L H >X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.908 106.2 57.1 -61.8 -43.6 30.8 15.4 70.6 505 72 D D H 3X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.881 98.0 62.0 -55.5 -40.2 30.7 17.7 73.6 506 73 D R H 3< S+ 0 0 110 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.877 105.6 45.7 -51.4 -45.0 31.7 20.5 71.1 507 74 D A H X< S+ 0 0 0 -4,-0.9 3,-1.5 -3,-0.7 6,-0.2 0.884 108.5 56.3 -65.1 -39.2 28.4 19.9 69.2 508 75 D V H >< S+ 0 0 23 -4,-2.1 3,-0.6 1,-0.3 -2,-0.2 0.856 108.6 48.3 -61.9 -31.1 26.5 19.8 72.6 509 76 D K T 3< S+ 0 0 140 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.499 120.1 37.2 -85.8 -2.8 27.9 23.3 73.2 510 77 D N T X + 0 0 62 -3,-1.5 3,-2.5 -5,-0.2 -1,-0.2 -0.272 70.0 156.8-141.2 46.3 26.9 24.5 69.8 511 78 D M T < S+ 0 0 17 -3,-0.6 3,-0.4 1,-0.3 -2,-0.1 0.734 76.8 43.2 -54.9 -31.1 23.5 22.8 69.2 512 79 D D T 3 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 -5,-0.0 0.208 118.6 44.3 -98.7 15.7 22.3 25.3 66.7 513 80 D N <> + 0 0 91 -3,-2.5 4,-1.7 -6,-0.2 -1,-0.2 -0.055 67.4 130.6-150.8 36.9 25.6 25.6 64.8 514 81 D I H > + 0 0 4 -3,-0.4 4,-2.2 2,-0.2 5,-0.1 0.901 69.2 55.5 -68.5 -44.1 26.8 22.0 64.3 515 82 D K H 4 S+ 0 0 64 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.956 114.4 39.1 -55.0 -55.2 27.6 22.1 60.6 516 83 D A H >4 S+ 0 0 60 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.886 112.6 58.0 -63.1 -38.6 29.9 25.0 60.8 517 84 D T H 3< S+ 0 0 27 -4,-1.7 4,-0.2 1,-0.3 3,-0.2 0.825 113.4 39.8 -59.5 -35.1 31.4 23.8 64.2 518 85 D Y T 3X S+ 0 0 4 -4,-2.2 4,-2.7 -3,-0.4 -1,-0.3 0.331 81.8 112.6 -98.0 8.3 32.4 20.5 62.4 519 86 D A H <> S+ 0 0 49 -3,-1.4 4,-1.6 -4,-0.3 -1,-0.2 0.871 84.8 37.1 -48.7 -51.0 33.5 22.2 59.2 520 87 D E H > S+ 0 0 165 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.875 115.0 54.6 -72.3 -37.7 37.3 21.3 59.7 521 88 D L H > S+ 0 0 37 -4,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 106.9 53.0 -60.4 -34.9 36.5 17.9 61.2 522 89 D S H X>S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.6 0.937 108.7 48.6 -64.0 -44.4 34.4 17.2 58.0 523 90 D V H <>S+ 0 0 71 -4,-1.6 5,-1.5 -5,-0.2 4,-0.3 0.948 114.2 47.4 -59.6 -44.5 37.4 18.1 55.8 524 91 D L H <>S+ 0 0 62 -4,-2.4 5,-2.3 3,-0.2 4,-0.5 0.936 115.6 42.2 -62.1 -51.0 39.6 15.8 57.9 525 92 D H H <5S+ 0 0 42 -4,-2.6 6,-2.5 3,-0.2 -1,-0.2 0.847 129.6 23.4 -78.2 -35.4 37.3 12.8 58.0 526 93 D S T X5S+ 0 0 15 -4,-2.7 4,-1.5 4,-0.2 -3,-0.2 0.903 128.8 35.5 -84.1 -73.2 36.2 12.9 54.3 527 94 D E T 4 - 0 0 23 -2,-0.6 3,-2.1 1,-0.1 4,-0.4 -0.439 23.6-128.5 -48.1 126.2 33.5 5.5 54.5 533 100 D P T 3> S+ 0 0 76 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.603 103.2 74.1 -64.2 -14.3 30.5 7.3 56.1 534 101 D D H 3> S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.800 91.4 63.2 -61.5 -28.5 28.8 3.9 57.1 535 102 D N H <> S+ 0 0 10 -3,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.822 93.6 56.8 -70.6 -31.5 31.6 3.9 59.7 536 103 D F H > S+ 0 0 22 -3,-0.4 4,-2.4 -4,-0.4 -1,-0.2 0.897 110.4 46.0 -61.3 -37.4 30.2 7.0 61.3 537 104 D K H X S+ 0 0 57 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.899 109.6 52.9 -73.6 -39.0 27.0 5.1 61.8 538 105 D L H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.951 113.5 44.1 -60.0 -48.0 28.7 2.0 63.1 539 106 D L H X S+ 0 0 31 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 112.5 51.8 -63.5 -45.6 30.5 4.0 65.7 540 107 D S H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.864 108.4 52.2 -51.9 -41.4 27.4 6.0 66.6 541 108 D D H X S+ 0 0 32 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.857 109.4 49.0 -66.6 -39.8 25.5 2.7 67.1 542 109 D C H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.883 110.5 50.6 -67.0 -42.1 28.2 1.5 69.4 543 110 D L H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.949 109.3 52.0 -57.3 -48.6 28.1 4.7 71.4 544 111 D T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.908 110.6 47.7 -54.5 -45.1 24.3 4.3 71.6 545 112 D I H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.927 111.8 48.9 -68.5 -41.4 24.7 0.8 73.0 546 113 D V H X S+ 0 0 15 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.913 114.1 47.0 -58.4 -42.6 27.4 1.9 75.6 547 114 D V H X S+ 0 0 0 -4,-2.9 4,-3.6 -5,-0.2 5,-0.3 0.936 110.7 52.3 -64.4 -47.3 25.1 4.8 76.7 548 115 D A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 7,-0.2 0.910 109.3 49.9 -49.5 -52.6 22.0 2.5 76.9 549 116 D A H < S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.9 42.1 -59.2 -40.6 23.9 0.1 79.1 550 117 D Q H < S+ 0 0 92 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.933 119.7 40.6 -72.3 -48.6 25.1 2.8 81.4 551 118 D L H >< S- 0 0 29 -4,-3.6 3,-1.2 1,-0.2 -2,-0.2 0.816 86.2-179.6 -80.7 -30.3 21.8 4.8 81.7 552 119 D G G >< - 0 0 14 -4,-2.7 3,-2.1 -5,-0.3 -1,-0.2 -0.426 65.0 -0.1 76.9-138.8 19.5 1.8 81.9 553 120 D K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -151,-0.3 -2,-0.1 0.706 124.2 70.7 -66.3 -18.0 15.8 2.3 82.1 554 121 D A G < S+ 0 0 62 -3,-1.2 2,-1.7 1,-0.2 -1,-0.3 0.749 82.0 78.1 -63.4 -23.7 16.4 6.1 82.0 555 122 D F S < S+ 0 0 0 -3,-2.1 -1,-0.2 -7,-0.2 -153,-0.1 -0.506 74.7 170.2 -89.1 71.0 17.4 5.6 78.3 556 123 D S > - 0 0 43 -2,-1.7 4,-2.9 1,-0.1 5,-0.2 -0.173 51.7 -95.2 -79.0 171.6 13.8 5.4 77.2 557 124 D G H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.872 127.6 49.7 -48.7 -44.3 12.5 5.3 73.6 558 125 D E H > S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.879 112.1 46.7 -69.0 -36.4 11.9 9.1 73.8 559 126 D V H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.875 111.7 51.7 -69.9 -38.0 15.5 9.7 75.2 560 127 D Q H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.886 105.8 56.8 -67.4 -33.9 16.9 7.4 72.5 561 128 D A H X S+ 0 0 27 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.885 109.4 42.8 -61.9 -44.5 15.0 9.4 69.9 562 129 D A H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.919 114.7 51.2 -72.3 -41.1 16.6 12.7 70.8 563 130 D F H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.946 111.9 47.7 -58.7 -46.1 20.1 11.0 71.2 564 131 D Q H X S+ 0 0 16 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.833 109.0 51.7 -63.4 -37.3 19.7 9.5 67.7 565 132 D K H X S+ 0 0 52 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.909 110.9 50.4 -65.6 -41.9 18.6 12.8 66.1 566 133 D F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.956 110.9 47.4 -59.9 -51.4 21.7 14.4 67.7 567 134 D L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.865 110.9 53.2 -60.3 -34.3 24.0 11.6 66.3 568 135 D S H X S+ 0 0 19 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.886 110.2 46.8 -64.1 -43.2 22.3 12.0 62.8 569 136 D V H X S+ 0 0 0 -4,-2.1 4,-2.4 -3,-0.2 -2,-0.2 0.914 115.6 47.4 -61.9 -47.3 23.0 15.8 62.9 570 137 D V H X S+ 0 0 3 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.954 113.1 44.9 -54.4 -56.2 26.6 15.0 64.0 571 138 D V H X S+ 0 0 21 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.841 112.8 53.5 -67.1 -33.2 27.3 12.3 61.4 572 139 D S H < S+ 0 0 44 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.913 110.9 45.9 -66.9 -45.2 25.6 14.6 58.7 573 140 D A H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.676 113.4 50.6 -69.5 -20.3 28.0 17.5 59.6 574 141 D L H < S+ 0 0 21 -4,-1.3 -48,-0.2 -5,-0.1 -1,-0.2 0.710 98.6 83.5 -84.8 -25.5 31.0 15.1 59.6 575 142 D G S < S- 0 0 13 -4,-1.3 -49,-0.1 -3,-0.2 -50,-0.1 -0.085 102.6 -57.1 -76.8 177.1 30.3 13.6 56.2 576 143 D K - 0 0 89 1,-0.1 2,-0.7 -51,-0.1 -1,-0.2 -0.256 55.3-135.1 -56.1 131.5 31.2 15.1 52.8 577 144 D Q + 0 0 54 1,-0.2 -1,-0.1 -3,-0.1 -298,-0.1 -0.854 37.0 160.6 -97.6 115.5 29.8 18.6 52.5 578 145 D Y 0 0 37 -2,-0.7 -1,-0.2 -434,-0.1 -353,-0.1 0.598 360.0 360.0-100.5 -15.6 28.2 19.1 49.2 579 146 D H 0 0 80 -355,-0.1 -356,-0.0 -356,-0.1 -357,-0.0 -0.720 360.0 360.0-131.4 360.0 26.2 22.1 50.3