==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-APR-10 3MPS . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR B.D.DILLARD,M.W.W.ADAMS,W.N.LANZILOTTA . 1360 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1056 77.6 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 . 80 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 40 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 801 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 49 3.6 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 0 0 0 0 0 0 0 7 1 7 3 3 1 8 0 0 0 0 0 0 8 0 0 0 0 1 8 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 . 8 0 16 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 8 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 2 A V 0 0 88 0, 0.0 2,-0.4 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 128.4 52.3 39.6 -67.0 2 3 A V + 0 0 5 59,-2.2 268,-0.0 1,-0.1 0, 0.0 -0.648 360.0 173.5 -74.3 130.2 49.7 38.7 -69.6 3 4 A K + 0 0 103 -2,-0.4 -1,-0.1 5,-0.0 2,-0.1 0.741 39.9 99.0-111.8 -37.4 51.4 38.7 -73.0 4 5 A R > - 0 0 54 1,-0.1 4,-2.9 264,-0.1 5,-0.2 -0.370 69.8-131.3 -65.7 136.7 48.9 37.4 -75.7 5 6 A T H > S+ 0 0 76 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.881 99.9 42.7 -59.6 -51.2 47.1 40.2 -77.6 6 7 A M H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.937 117.9 46.0 -63.8 -47.9 43.5 39.1 -77.4 7 8 A T H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 113.5 49.7 -61.2 -43.7 43.7 38.2 -73.7 8 9 A K H X S+ 0 0 66 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.950 112.3 47.9 -58.9 -50.9 45.6 41.4 -73.0 9 10 A K H X S+ 0 0 63 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.907 112.0 50.9 -53.4 -44.3 42.9 43.4 -74.9 10 11 A F H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.897 109.7 48.4 -65.9 -40.6 40.2 41.5 -73.0 11 12 A L H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.818 110.1 52.8 -65.2 -34.0 41.8 42.3 -69.6 12 13 A E H X S+ 0 0 80 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.897 111.6 46.4 -67.2 -41.7 42.1 45.9 -70.6 13 14 A E H X S+ 0 0 60 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.937 112.4 49.0 -61.6 -53.4 38.3 46.0 -71.4 14 15 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.845 109.2 54.5 -57.2 -35.3 37.4 44.2 -68.2 15 16 A F H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.929 111.7 43.1 -62.5 -45.5 39.6 46.8 -66.3 16 17 A A H X S+ 0 0 17 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.868 114.7 51.2 -67.5 -36.9 37.7 49.7 -67.9 17 18 A G H X S+ 0 0 22 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.828 112.8 43.9 -72.7 -35.9 34.4 47.9 -67.3 18 19 A E H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.765 110.6 56.4 -78.4 -30.6 35.1 47.2 -63.6 19 20 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.933 110.5 44.6 -60.1 -45.5 36.4 50.7 -63.2 20 21 A M H X S+ 0 0 47 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.836 113.5 49.0 -72.2 -33.3 33.0 52.0 -64.5 21 22 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.935 111.2 50.1 -70.1 -48.0 30.9 49.7 -62.4 22 23 A H H X S+ 0 0 8 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.920 114.4 46.0 -52.3 -46.3 32.9 50.6 -59.3 23 24 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 3,-0.3 0.943 110.6 50.7 -65.3 -51.9 32.4 54.3 -60.1 24 25 A R H X S+ 0 0 39 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.948 110.4 50.9 -47.8 -53.9 28.6 53.9 -60.9 25 26 A Y H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.3 -1,-0.2 0.797 108.9 50.9 -59.7 -33.5 28.1 52.1 -57.5 26 27 A L H X S+ 0 0 39 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.3 0.908 113.3 44.9 -66.0 -45.4 30.0 54.9 -55.7 27 28 A I H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.892 113.9 50.4 -63.8 -42.9 27.7 57.5 -57.4 28 29 A F H X S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.780 105.9 56.8 -64.9 -29.5 24.7 55.3 -56.6 29 30 A A H X S+ 0 0 1 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.925 106.0 49.2 -69.4 -45.6 25.8 55.0 -52.9 30 31 A E H X S+ 0 0 55 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.899 112.3 48.5 -56.5 -45.6 25.7 58.8 -52.6 31 32 A K H X S+ 0 0 55 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.882 110.4 50.9 -63.5 -42.1 22.3 58.9 -54.1 32 33 A A H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 4,-0.4 0.932 110.0 49.3 -60.2 -49.3 21.0 56.1 -51.8 33 34 A E H ><5S+ 0 0 96 -4,-2.6 3,-0.9 3,-0.2 -2,-0.2 0.891 112.2 49.7 -54.7 -44.0 22.3 57.9 -48.7 34 35 A Q H 3<5S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.883 108.4 51.3 -63.5 -40.1 20.6 61.1 -49.9 35 36 A E T 3<5S- 0 0 71 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.419 124.8-102.2 -83.1 3.5 17.2 59.4 -50.6 36 37 A G T < 5S+ 0 0 51 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.764 85.7 121.7 86.7 29.4 17.4 57.9 -47.0 37 38 A F >< + 0 0 24 -5,-2.8 4,-1.7 1,-0.1 -1,-0.1 -0.742 25.5 164.6-119.9 80.7 18.5 54.4 -47.7 38 39 A P H > S+ 0 0 58 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.808 74.2 51.9 -72.7 -31.0 21.7 54.0 -45.7 39 40 A N H > S+ 0 0 47 2,-0.2 4,-2.0 265,-0.2 5,-0.1 0.855 109.7 50.8 -72.9 -32.7 22.0 50.1 -45.8 40 41 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 108.8 52.2 -63.8 -41.6 21.5 50.2 -49.6 41 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.931 109.0 49.4 -59.8 -46.3 24.4 52.8 -49.7 42 43 A K H X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.875 109.5 53.5 -58.2 -42.2 26.6 50.5 -47.7 43 44 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.922 109.0 47.7 -54.8 -50.4 25.7 47.7 -50.1 44 45 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 113.1 48.7 -60.1 -42.2 26.7 49.8 -53.1 45 46 A R H X S+ 0 0 98 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.842 111.1 49.4 -71.0 -35.4 30.0 50.7 -51.4 46 47 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.920 115.2 43.1 -66.1 -46.6 30.8 47.1 -50.5 47 48 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.834 108.4 60.0 -70.3 -32.0 30.1 45.9 -54.0 48 49 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.928 106.4 47.6 -59.2 -42.6 32.1 48.9 -55.3 49 50 A Y H X S+ 0 0 43 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.860 105.8 58.5 -64.9 -36.2 35.1 47.5 -53.3 50 51 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.938 107.9 46.6 -55.2 -46.8 34.4 44.1 -54.8 51 52 A E H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.759 105.7 59.0 -69.0 -29.1 34.8 45.6 -58.3 52 53 A F H X S+ 0 0 11 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.923 105.8 49.9 -60.6 -43.7 38.0 47.4 -57.1 53 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.928 112.4 46.8 -62.5 -45.1 39.4 44.0 -56.3 54 55 A H H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.940 114.8 45.2 -61.3 -49.5 38.5 42.7 -59.8 55 56 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.933 114.6 49.6 -59.5 -47.4 39.9 45.8 -61.6 56 57 A K H X S+ 0 0 29 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.888 109.1 52.1 -58.9 -43.4 43.0 45.6 -59.5 57 58 A N H X S+ 0 0 28 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.948 113.1 44.1 -58.3 -49.7 43.5 41.9 -60.2 58 59 A H H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.915 113.1 52.4 -58.0 -46.6 43.2 42.6 -64.0 59 60 A F H <>S+ 0 0 7 -4,-2.8 5,-2.1 2,-0.2 4,-0.4 0.930 111.8 44.4 -55.8 -51.6 45.5 45.6 -63.7 60 61 A I H ><5S+ 0 0 65 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.867 110.0 56.7 -64.2 -38.1 48.2 43.5 -61.9 61 62 A A H 3<5S+ 0 0 1 -4,-2.3 -59,-2.2 1,-0.3 -1,-0.2 0.870 104.3 52.1 -60.5 -37.6 47.8 40.7 -64.4 62 63 A L T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -61,-0.2 -2,-0.2 0.586 118.3-117.1 -73.1 -10.4 48.5 43.2 -67.2 63 64 A G T < 5S+ 0 0 34 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.775 76.0 130.2 79.3 30.5 51.7 44.1 -65.3 64 65 A K < + 0 0 82 -5,-2.1 2,-0.6 2,-0.1 -4,-0.2 0.566 41.9 88.8 -94.7 -10.9 50.7 47.7 -64.8 65 66 A L + 0 0 35 -6,-0.3 2,-0.1 -5,-0.1 3,-0.1 -0.814 53.9 154.0 -91.8 118.1 51.3 48.0 -61.0 66 67 A G - 0 0 8 -2,-0.6 2,-0.1 1,-0.2 -2,-0.1 -0.356 48.3 -54.6-119.6-160.6 54.8 49.1 -60.2 67 68 A K > - 0 0 60 -2,-0.1 4,-2.7 1,-0.1 3,-0.3 -0.392 63.2 -94.8 -74.5 164.5 56.7 50.9 -57.4 68 69 A T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.863 123.1 49.7 -55.7 -47.8 55.4 54.3 -56.3 69 70 A P H > S+ 0 0 17 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.919 115.8 44.9 -59.8 -40.4 57.7 56.5 -58.4 70 71 A E H > S+ 0 0 42 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.862 114.5 49.5 -64.1 -41.0 56.8 54.4 -61.5 71 72 A N H X S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.836 108.8 52.2 -66.7 -35.9 53.1 54.6 -60.4 72 73 A L H X S+ 0 0 0 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.899 108.1 52.4 -65.8 -38.6 53.4 58.4 -60.0 73 74 A Q H X S+ 0 0 51 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.825 104.9 52.8 -66.9 -37.6 54.8 58.6 -63.6 74 75 A M H X S+ 0 0 56 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.923 111.5 49.6 -62.0 -41.9 51.9 56.6 -65.1 75 76 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.806 107.8 52.1 -62.6 -37.3 49.7 59.2 -63.3 76 77 A I H X S+ 0 0 16 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.910 112.6 45.9 -64.9 -44.5 51.8 62.1 -64.7 77 78 A E H X S+ 0 0 119 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 114.2 48.1 -65.5 -46.5 51.3 60.7 -68.2 78 79 A G H X S+ 0 0 16 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.901 113.2 46.8 -56.6 -47.5 47.6 60.1 -67.6 79 80 A E H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.934 110.4 53.0 -65.7 -44.6 46.9 63.6 -66.2 80 81 A T H X S+ 0 0 36 -4,-2.3 4,-3.1 1,-0.2 5,-0.5 0.945 109.8 48.4 -53.2 -55.8 48.9 65.3 -69.0 81 82 A F H X>S+ 0 0 71 -4,-2.3 5,-2.2 1,-0.2 4,-1.8 0.916 112.7 48.7 -51.2 -48.9 46.8 63.5 -71.6 82 83 A E H <>S+ 0 0 7 -4,-2.2 5,-2.7 3,-0.2 -1,-0.2 0.913 121.6 33.1 -59.6 -42.2 43.6 64.5 -69.9 83 84 A V H <5S+ 0 0 17 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.757 125.9 38.5 -92.1 -25.8 44.4 68.2 -69.5 84 85 A E H <5S+ 0 0 65 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.716 134.2 8.4 -93.4 -27.9 46.5 68.8 -72.7 85 86 A E T X5S+ 0 0 12 -4,-1.8 4,-1.5 -5,-0.5 -3,-0.2 0.755 123.7 40.9-118.3 -61.6 44.6 66.7 -75.2 86 87 A M H > S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.911 115.8 41.2 -53.2 -42.5 40.5 70.9 -74.4 89 90 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.927 116.3 48.1 -71.9 -47.3 39.1 69.0 -77.5 90 91 A Y H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.890 112.5 50.0 -59.5 -43.9 36.0 67.7 -75.7 91 92 A N H X S+ 0 0 29 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.945 112.1 47.4 -59.3 -49.4 35.2 71.1 -74.3 92 93 A K H X S+ 0 0 42 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.877 112.1 49.9 -59.4 -41.3 35.6 72.7 -77.7 93 94 A A H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.869 109.6 50.7 -68.9 -38.9 33.3 70.0 -79.3 94 95 A A H <>S+ 0 0 0 -4,-2.4 5,-3.2 2,-0.2 4,-0.4 0.856 112.8 47.2 -61.5 -38.6 30.7 70.5 -76.6 95 96 A E H ><5S+ 0 0 90 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.947 112.0 49.1 -70.3 -48.5 30.8 74.3 -77.3 96 97 A F H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 115.4 44.7 -56.5 -34.2 30.6 73.8 -81.0 97 98 A Q T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.440 112.2-120.4 -94.1 -2.9 27.6 71.4 -80.6 98 99 A G T < 5 + 0 0 41 -3,-1.1 2,-1.1 -4,-0.4 -3,-0.2 0.812 56.7 154.6 70.1 32.6 25.9 73.7 -78.1 99 100 A E >< - 0 0 14 -5,-3.2 4,-1.8 1,-0.2 3,-0.4 -0.708 19.6-176.1 -97.7 89.0 25.9 71.2 -75.3 100 101 A K H > S+ 0 0 121 -2,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.817 77.6 48.3 -61.7 -43.7 25.8 73.4 -72.2 101 102 A E H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.886 114.2 48.7 -60.7 -41.5 26.0 70.7 -69.4 102 103 A A H > S+ 0 0 0 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.765 107.4 54.9 -71.0 -29.5 29.0 69.1 -71.2 103 104 A V H X S+ 0 0 35 -4,-1.8 4,-2.2 -9,-0.2 -2,-0.2 0.934 111.3 47.4 -63.8 -45.5 30.6 72.6 -71.6 104 105 A R H X S+ 0 0 124 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.926 112.9 45.1 -57.6 -51.5 30.2 72.8 -67.8 105 106 A T H X S+ 0 0 8 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.851 118.4 42.4 -71.2 -33.8 31.6 69.4 -66.9 106 107 A T H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.825 112.6 54.0 -81.7 -33.3 34.6 69.6 -69.2 107 108 A H H X S+ 0 0 75 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.933 108.6 49.5 -62.0 -47.9 35.2 73.3 -68.3 108 109 A Y H X S+ 0 0 43 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.926 115.0 44.6 -53.3 -49.2 35.4 72.2 -64.6 109 110 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.927 108.6 56.3 -64.2 -45.6 37.8 69.5 -65.4 110 111 A L H < S+ 0 0 21 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.852 116.9 35.9 -56.8 -36.2 39.9 71.6 -67.7 111 112 A E H < S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.1 4,-0.2 0.684 121.7 45.8 -90.6 -18.9 40.5 74.1 -64.9 112 113 A A H < S+ 0 0 3 -4,-1.6 35,-0.3 -5,-0.2 4,-0.3 0.643 103.8 60.6 -97.0 -18.3 40.7 71.6 -62.1 113 114 A E S >X S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.1 4,-0.7 0.742 81.3 79.5 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11,-0.1 -0.997 27.5 -97.9-148.7 150.3 43.2 76.6 -50.0 153 154 A P - 0 0 44 0, 0.0 10,-0.1 0, 0.0 -5,-0.0 -0.303 32.3-118.4 -63.9 149.3 41.3 79.7 -51.2 154 155 A E S S+ 0 0 113 1,-0.1 9,-2.0 8,-0.1 2,-0.3 0.775 104.0 27.1 -58.7 -33.3 38.2 81.0 -49.4 155 156 A Y B S-C 162 0B 149 7,-0.2 6,-0.2 8,-0.1 -1,-0.1 -0.985 98.3-100.3-129.1 145.0 36.2 80.3 -52.5 156 157 A C > - 0 0 4 5,-2.7 4,-2.1 -2,-0.3 -2,-0.0 -0.496 27.1-145.2 -61.2 125.5 36.8 77.7 -55.2 157 158 A P T 4 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.673 95.5 46.5 -68.3 -18.2 38.4 79.6 -58.2 158 159 A V T 4 S+ 0 0 27 3,-0.1 -2,-0.0 -46,-0.0 -46,-0.0 0.915 132.5 6.3 -90.9 -54.3 36.5 77.3 -60.6 159 160 A C T 4 S- 0 0 38 2,-0.1 -51,-0.0 -51,-0.0 -3,-0.0 0.523 91.5-116.8-115.0 -9.9 32.9 77.2 -59.3 160 161 A G < + 0 0 42 -4,-2.1 0, 0.0 1,-0.3 0, 0.0 0.403 57.1 154.2 88.2 -1.1 32.7 79.7 -56.5 161 162 A A - 0 0 6 -6,-0.2 -5,-2.7 1,-0.1 -1,-0.3 -0.363 49.0-108.4 -63.8 133.7 31.9 77.1 -53.8 162 163 A P B > -C 155 0B 32 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.330 24.9-115.1 -62.2 146.3 32.9 78.2 -50.2 163 164 A K G > S+ 0 0 56 -9,-2.0 3,-0.7 1,-0.3 -8,-0.1 0.685 113.1 69.5 -52.9 -26.8 35.9 76.4 -48.7 164 165 A E G 3 S+ 0 0 147 -10,-0.3 -1,-0.3 1,-0.2 -9,-0.1 0.726 94.3 58.0 -67.1 -22.6 33.6 74.9 -46.0 165 166 A K G < S+ 0 0 115 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.738 85.0 110.5 -72.9 -28.2 32.1 72.8 -48.8 166 167 A F S < S- 0 0 12 -3,-0.7 2,-0.4 -4,-0.5 -25,-0.2 -0.189 70.9-126.3 -56.4 137.1 35.5 71.3 -49.6 167 168 A V E -B 140 0A 44 -27,-3.4 -27,-2.6 50,-0.1 2,-0.5 -0.732 27.8-145.8 -81.8 128.1 36.1 67.6 -48.9 168 169 A V E -B 139 0A 60 -2,-0.4 2,-0.6 -29,-0.2 -29,-0.2 -0.854 12.6-164.1-106.6 129.1 39.3 67.2 -46.7 169 170 A F E B 138 0A 40 -31,-3.3 -31,-2.2 -2,-0.5 48,-0.1 -0.948 360.0 360.0-108.8 116.5 41.7 64.4 -46.9 170 171 A E 0 0 160 -2,-0.6 -33,-0.2 -33,-0.2 -34,-0.1 -0.873 360.0 360.0-138.2 360.0 44.0 64.2 -43.9 171 !* 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 0.0 172 2 B V 0 0 93 0, 0.0 61,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 128.4 20.8 65.7 -70.7 173 3 B V + 0 0 8 59,-2.3 -74,-0.1 1,-0.1 3,-0.0 -0.435 360.0 169.1 -63.6 127.1 23.4 65.7 -73.5 174 4 B K + 0 0 171 -2,-0.2 -1,-0.1 5,-0.0 5,-0.1 0.812 38.3 99.7-109.1 -46.4 21.7 64.7 -76.8 175 5 B R S > S- 0 0 103 -78,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.216 73.4-126.7 -59.4 134.4 24.1 65.3 -79.7 176 6 B T H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.803 101.5 44.1 -58.3 -43.8 25.9 62.2 -80.8 177 7 B M H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 114.1 48.6 -70.8 -43.2 29.5 63.3 -80.7 178 8 B T H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.846 112.7 51.0 -65.8 -34.0 29.3 65.1 -77.3 179 9 B K H X S+ 0 0 90 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 110.6 46.6 -61.0 -53.9 27.5 62.0 -75.9 180 10 B K H X S+ 0 0 46 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.873 113.6 50.0 -57.6 -39.9 30.3 59.6 -77.1 181 11 B F H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.887 110.3 48.9 -69.3 -39.6 32.9 62.0 -75.7 182 12 B L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.847 110.3 51.7 -67.8 -32.7 31.2 62.2 -72.3 183 13 B E H X S+ 0 0 88 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.878 111.6 47.3 -67.8 -39.9 31.0 58.4 -72.3 184 14 B E H X S+ 0 0 47 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.826 111.6 50.3 -67.8 -36.7 34.7 58.3 -73.1 185 15 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.913 109.4 51.8 -68.4 -42.3 35.5 60.8 -70.3 186 16 B F H X S+ 0 0 12 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.898 112.9 44.1 -59.0 -44.3 33.4 58.8 -67.9 187 17 B A H X S+ 0 0 17 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.890 115.1 49.2 -70.1 -39.1 35.4 55.7 -68.7 188 18 B G H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.872 113.3 45.5 -66.1 -40.1 38.7 57.5 -68.6 189 19 B E H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.798 110.6 54.4 -77.4 -29.2 37.9 59.2 -65.3 190 20 B S H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.918 110.8 45.6 -62.2 -48.0 36.7 55.8 -63.9 191 21 B M H X S+ 0 0 45 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.902 113.4 49.7 -65.4 -42.0 40.0 54.2 -64.8 192 22 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.953 111.8 47.7 -57.7 -54.2 42.0 57.1 -63.4 193 23 B H H X S+ 0 0 9 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.941 115.4 47.2 -48.5 -52.0 40.1 57.0 -60.1 194 24 B M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.912 110.1 50.2 -60.2 -50.7 40.6 53.2 -60.0 195 25 B R H X S+ 0 0 47 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.891 110.9 51.3 -54.4 -41.4 44.4 53.4 -60.8 196 26 B Y H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.843 107.3 50.9 -71.8 -35.9 44.9 55.9 -58.1 197 27 B L H X S+ 0 0 39 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.887 113.5 46.9 -58.9 -42.3 43.1 53.8 -55.4 198 28 B I H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.895 113.5 47.7 -68.4 -42.6 45.4 50.9 -56.5 199 29 B F H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.749 106.0 59.2 -67.6 -28.6 48.4 53.2 -56.3 200 30 B A H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.947 105.4 49.5 -63.2 -48.2 47.3 54.5 -52.9 201 31 B E H X S+ 0 0 57 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.894 111.5 47.8 -53.4 -47.0 47.5 51.0 -51.5 202 32 B K H X S+ 0 0 56 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.833 110.4 51.8 -70.2 -34.6 51.0 50.4 -53.0 203 33 B A H ><>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 3,-0.8 0.954 109.7 49.1 -63.5 -51.7 52.2 53.7 -51.6 204 34 B E H ><5S+ 0 0 87 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.913 111.7 50.7 -49.2 -48.7 50.9 52.8 -48.1 205 35 B Q H 3<5S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.656 109.9 49.1 -67.5 -21.8 52.6 49.4 -48.4 206 36 B E T <<5S- 0 0 70 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.328 125.9 -97.0 -99.5 2.7 56.0 51.0 -49.4 207 37 B G T < 5S+ 0 0 50 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.811 88.6 120.4 85.2 33.1 55.9 53.5 -46.5 208 38 B F >< + 0 0 23 -5,-2.7 4,-2.2 -8,-0.1 5,-0.1 -0.621 21.2 157.8-122.7 71.6 54.5 56.5 -48.3 209 39 B P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -5,-0.1 0.769 76.2 52.0 -67.0 -27.1 51.3 57.3 -46.3 210 40 B N H > S+ 0 0 38 2,-0.2 4,-1.9 -77,-0.2 -76,-0.1 0.819 109.6 47.5 -77.8 -32.5 51.3 61.0 -47.5 211 41 B I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.1 0.903 112.9 50.3 -70.8 -41.3 51.7 60.0 -51.2 212 42 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.943 107.2 53.6 -56.0 -50.2 48.9 57.6 -50.6 213 43 B K H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 110.0 48.6 -50.2 -48.4 46.8 60.4 -49.0 214 44 B L H X S+ 0 0 3 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.929 110.1 50.5 -57.0 -49.7 47.4 62.4 -52.2 215 45 B F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.917 112.5 47.0 -55.8 -48.1 46.4 59.5 -54.4 216 46 B R H X S+ 0 0 91 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.814 113.3 49.0 -63.4 -37.5 43.1 59.0 -52.4 217 47 B A H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.965 114.7 43.2 -65.1 -54.3 42.4 62.7 -52.5 218 48 B I H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.856 108.5 60.3 -60.6 -38.7 43.0 63.0 -56.3 219 49 B A H X S+ 0 0 1 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.925 104.4 49.8 -52.1 -50.6 41.0 59.8 -56.8 220 50 B Y H X S+ 0 0 45 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.844 105.7 56.2 -57.6 -38.7 38.0 61.5 -55.2 221 51 B A H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.905 106.7 50.9 -61.2 -38.7 38.5 64.5 -57.5 222 52 B E H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.882 105.0 55.3 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25,-0.1 -0.651 15.2-149.5 -67.6 124.1 37.4 39.0 -49.9 313 143 B P T 4 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.619 92.4 49.5 -69.4 -17.7 40.3 41.4 -50.7 314 144 B I T 4 S+ 0 0 69 3,-0.1 -35,-0.1 -35,-0.0 -2,-0.0 0.823 132.5 5.7 -90.9 -39.2 42.0 38.7 -53.0 315 145 B C T 4 S- 0 0 0 2,-0.1 -32,-0.2 -36,-0.1 -33,-0.1 0.436 92.9-116.5-127.3 -4.8 39.0 37.6 -55.2 316 146 B G < + 0 0 0 -4,-1.8 -262,-0.1 1,-0.2 -266,-0.1 0.549 46.3 174.0 78.2 9.0 36.2 39.9 -54.3 317 147 B Y - 0 0 59 -6,-0.1 -5,-2.3 1,-0.1 2,-0.5 -0.216 21.5-143.6 -48.8 136.6 33.9 37.1 -52.9 318 148 B T E +D 311 0C 5 -35,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.923 25.7 168.5-123.0 124.1 30.9 38.8 -51.4 319 149 B A E -D 310 0C 15 -9,-2.5 -9,-3.3 -2,-0.5 2,-0.4 -0.995 22.2-141.3-138.4 129.8 28.9 37.7 -48.3 320 150 B V E S-D 309 0C 36 -2,-0.4 2,-1.5 -11,-0.2 -11,-0.3 -0.740 75.6 -10.1 -92.1 137.9 26.2 39.5 -46.3 321 151 B D S S+ 0 0 77 -13,-4.5 2,-0.3 -2,-0.4 -12,-0.1 -0.144 128.8 37.7 78.8 -40.4 26.0 39.5 -42.4 322 152 B E S S- 0 0 148 -2,-1.5 -12,-0.1 -14,-0.2 -2,-0.0 -0.978 74.3-133.8-144.1 133.3 28.6 36.7 -41.8 323 153 B A - 0 0 6 -2,-0.3 2,-0.2 1,-0.1 11,-0.1 -0.470 34.2-108.7 -72.7 150.6 31.9 35.9 -43.5 324 154 B P - 0 0 34 0, 0.0 13,-0.2 0, 0.0 -1,-0.1 -0.548 26.4-110.5 -79.3 154.4 32.5 32.3 -44.4 325 155 B E S S+ 0 0 147 -2,-0.2 9,-1.6 1,-0.1 2,-0.3 0.768 104.6 1.3 -52.5 -33.1 35.1 30.3 -42.4 326 156 B Y B S-F 333 0D 151 7,-0.2 -1,-0.1 8,-0.1 6,-0.1 -0.963 91.0 -95.1-147.6 158.9 37.2 30.4 -45.6 327 157 B C > - 0 0 0 5,-2.8 4,-2.3 -2,-0.3 5,-0.1 -0.618 28.6-149.4 -75.5 114.6 36.7 32.0 -49.0 328 158 B P T 4 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.760 92.7 45.5 -54.7 -26.3 35.2 29.3 -51.2 329 159 B V T 4 S+ 0 0 28 3,-0.1 -2,-0.0 1,-0.1 -47,-0.0 0.883 132.4 9.3 -89.2 -47.6 36.9 30.9 -54.3 330 160 B C T 4 S- 0 0 41 2,-0.1 -1,-0.1 -51,-0.0 -51,-0.0 0.508 94.6-120.8-112.0 -12.5 40.5 31.7 -53.3 331 161 B G < + 0 0 42 -4,-2.3 0, 0.0 1,-0.2 0, 0.0 0.543 51.7 162.0 81.8 7.6 40.6 29.9 -49.9 332 162 B A - 0 0 10 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.311 44.1-104.3 -56.2 138.0 41.5 33.0 -47.9 333 163 B P B >> -F 326 0D 63 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.273 29.7-107.0 -62.8 153.9 40.8 32.7 -44.1 334 164 B K G >4 S+ 0 0 71 -9,-1.6 3,-0.8 1,-0.3 -8,-0.1 0.776 117.0 63.4 -46.2 -39.1 37.7 34.4 -42.6 335 165 B E G 34 S+ 0 0 155 1,-0.2 -1,-0.3 -10,-0.2 -10,-0.1 0.583 92.8 66.0 -69.1 -11.2 39.9 37.0 -40.9 336 166 B K G <4 S+ 0 0 103 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.816 74.8 106.2 -81.7 -32.7 40.9 38.3 -44.3 337 167 B F S << S- 0 0 12 -3,-0.8 2,-0.3 -4,-0.5 -25,-0.2 -0.190 71.2-126.9 -48.9 132.1 37.5 39.5 -45.4 338 168 B V E -E 311 0C 48 -27,-3.3 -27,-2.2 -292,-0.1 2,-0.5 -0.695 25.1-134.7 -84.7 135.8 37.0 43.3 -45.4 339 169 B V E -E 310 0C 59 -2,-0.3 2,-0.6 -29,-0.2 -29,-0.2 -0.820 18.0-169.1-105.8 130.9 34.0 44.5 -43.4 340 170 B F E E 309 0C 44 -31,-2.5 -31,-1.8 -2,-0.5 -294,-0.1 -0.942 360.0 360.0-115.1 103.7 31.5 47.1 -44.4 341 171 B E 0 0 188 -2,-0.6 -1,-0.1 -33,-0.2 -299,-0.1 0.435 360.0 360.0-122.1 360.0 29.4 48.0 -41.4 342 !* 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 0.0 343 2 D V 0 0 79 0, 0.0 2,-0.4 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 138.8 61.4 57.7 -94.3 344 3 D V + 0 0 5 59,-2.7 781,-0.0 1,-0.1 3,-0.0 -0.597 360.0 160.4 -70.5 125.8 64.2 55.1 -93.9 345 4 D K + 0 0 76 -2,-0.4 -1,-0.1 5,-0.0 2,-0.1 0.707 33.0 104.4-122.3 -35.0 62.6 51.8 -92.7 346 5 D R S > S- 0 0 21 1,-0.1 4,-2.8 777,-0.1 3,-0.2 -0.368 73.9-126.9 -59.8 127.9 64.9 48.9 -93.4 347 6 D T H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.826 101.5 43.7 -54.2 -46.4 66.4 48.0 -90.1 348 7 D M H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.923 115.9 46.9 -68.1 -42.9 70.2 48.0 -91.0 349 8 D T H > S+ 0 0 2 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.904 112.7 51.5 -65.1 -41.3 70.0 51.2 -93.1 350 9 D K H X S+ 0 0 94 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.928 110.6 47.8 -56.7 -50.6 68.0 52.8 -90.2 351 10 D K H X S+ 0 0 47 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.920 112.1 51.3 -54.0 -47.3 70.7 51.7 -87.7 352 11 D F H X S+ 0 0 2 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4,-2.3 -3,-0.2 -2,-0.2 0.891 113.4 46.4 -59.3 -44.4 87.4 78.0 -79.9 373 32 D K H X S+ 0 0 43 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.911 111.8 51.3 -65.6 -44.0 90.9 76.7 -79.2 374 33 D A H <>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 4,-0.4 0.921 110.8 48.5 -57.7 -46.1 92.2 77.9 -82.6 375 34 D E H ><5S+ 0 0 97 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.920 110.9 51.3 -60.4 -43.2 90.8 81.3 -81.8 376 35 D Q H 3<5S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.842 109.4 51.1 -61.5 -33.2 92.4 81.2 -78.4 377 36 D E T 3<5S- 0 0 67 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.394 125.1 -95.2 -91.2 4.0 95.8 80.3 -79.9 378 37 D G T < 5S+ 0 0 50 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.749 88.7 120.7 88.7 29.2 95.9 83.1 -82.5 379 38 D F >< + 0 0 20 -5,-2.6 4,-2.4 -6,-0.1 5,-0.1 -0.613 21.4 157.5-122.8 69.7 94.5 81.2 -85.5 380 39 D P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.830 77.5 49.8 -62.6 -37.5 91.2 83.1 -86.6 381 40 D N H > S+ 0 0 39 778,-0.2 4,-2.1 2,-0.2 5,-0.1 0.852 112.1 48.7 -70.3 -35.0 91.2 81.8 -90.2 382 41 D I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 110.1 51.5 -66.4 -42.9 91.6 78.2 -88.8 383 42 D A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.898 110.0 50.2 -57.2 -42.5 88.8 78.9 -86.4 384 43 D K H X S+ 0 0 18 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.893 109.2 50.8 -61.3 -44.5 86.7 80.1 -89.4 385 44 D L H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.941 109.9 50.3 -56.3 -49.7 87.6 76.9 -91.3 386 45 D F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.898 112.2 46.8 -55.1 -44.7 86.5 74.8 -88.3 387 46 D R H X S+ 0 0 83 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.788 112.1 50.2 -73.5 -28.0 83.2 76.6 -88.0 388 47 D A H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 3,-0.2 0.943 113.5 44.4 -73.6 -48.0 82.5 76.4 -91.7 389 48 D I H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.893 108.1 59.5 -64.0 -38.0 83.2 72.6 -91.8 390 49 D A H X S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.890 103.4 51.9 -53.3 -42.1 81.1 72.2 -88.6 391 50 D Y H X S+ 0 0 39 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.2 0.861 105.7 55.6 -64.5 -35.6 78.2 73.7 -90.6 392 51 D A H X S+ 0 0 0 -4,-1.4 4,-2.2 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0.837 113.1 54.2 -69.9 -33.7 56.7 67.6 -82.1 413 72 D N H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.879 107.4 49.6 -66.2 -42.2 60.3 68.9 -82.0 414 73 D L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.843 107.8 54.2 -63.9 -36.8 59.8 70.4 -78.6 415 74 D Q H X S+ 0 0 57 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.846 106.1 51.2 -68.9 -35.7 58.3 67.0 -77.4 416 75 D M H X S+ 0 0 58 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.907 109.4 54.3 -62.8 -42.8 61.5 65.2 -78.6 417 76 D G H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.927 107.7 46.9 -51.7 -53.8 63.3 67.9 -76.6 418 77 D I H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.910 113.4 48.5 -57.7 -47.6 61.4 67.1 -73.4 419 78 D E H X S+ 0 0 118 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.907 114.6 45.1 -60.8 -47.3 61.9 63.3 -73.7 420 79 D G H X S+ 0 0 17 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.923 114.8 47.7 -62.9 -46.7 65.6 63.7 -74.4 421 80 D E H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 5,-0.3 0.897 110.1 53.1 -62.4 -41.5 66.1 66.2 -71.6 422 81 D T H X>S+ 0 0 37 -4,-2.6 4,-2.3 -5,-0.2 5,-0.5 0.883 108.5 49.4 -64.4 -41.5 64.1 64.0 -69.1 423 82 D F H X>S+ 0 0 78 -4,-2.0 5,-2.8 3,-0.2 4,-1.7 0.926 111.2 50.9 -58.0 -46.6 66.3 61.0 -69.8 424 83 D E H <>S+ 0 0 7 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.876 120.0 32.0 -62.1 -41.2 69.5 63.0 -69.3 425 84 D V H <5S+ 0 0 27 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.806 126.7 37.2 -93.0 -30.4 68.5 64.5 -65.9 426 85 D E H <5S+ 0 0 81 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.820 136.4 8.3 -88.2 -34.4 66.4 61.7 -64.4 427 86 D E T X S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.964 114.7 37.7 -53.2 -49.0 72.4 60.7 -61.8 431 90 D V H X S+ 0 0 1 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.928 116.8 49.1 -68.3 -51.4 74.0 57.3 -62.6 432 91 D Y H X S+ 0 0 8 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.861 114.7 47.8 -55.0 -39.9 77.1 58.6 -64.5 433 92 D N H X S+ 0 0 26 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.953 112.0 47.5 -65.0 -52.4 77.7 61.0 -61.6 434 93 D K H X S+ 0 0 46 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.904 113.3 50.5 -54.1 -43.6 77.2 58.4 -58.9 435 94 D A H X S+ 0 0 4 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.836 109.3 48.8 -65.2 -41.7 79.6 56.1 -60.9 436 95 D A H <>S+ 0 0 1 -4,-1.8 5,-2.7 2,-0.2 4,-0.5 0.832 112.9 48.4 -69.6 -35.6 82.4 58.7 -61.3 437 96 D E H ><5S+ 0 0 113 -4,-2.3 3,-0.8 3,-0.2 -2,-0.2 0.911 111.6 50.5 -64.9 -46.2 82.1 59.5 -57.5 438 97 D F H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.6 44.8 -59.0 -40.2 82.3 55.7 -56.8 439 98 D Q T 3<5S- 0 0 13 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.504 112.7-118.9 -85.7 -5.3 85.4 55.3 -59.0 440 99 D G T < 5 + 0 0 61 -3,-0.8 2,-1.0 -4,-0.5 -3,-0.2 0.792 59.1 150.4 74.4 30.2 87.1 58.4 -57.6 441 100 D E >< - 0 0 22 -5,-2.7 4,-2.2 1,-0.2 5,-0.2 -0.749 22.2-175.7 -97.3 91.6 87.3 60.4 -60.8 442 101 D K H > S+ 0 0 179 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.864 80.1 51.2 -57.4 -46.2 87.1 64.1 -59.7 443 102 D E H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 113.4 45.2 -57.8 -47.2 87.0 65.7 -63.2 444 103 D A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.817 108.2 57.1 -67.9 -33.1 84.1 63.4 -64.3 445 104 D V H X S+ 0 0 41 -4,-2.2 4,-1.8 -9,-0.2 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K G < S+ 0 0 139 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.494 82.3 119.4 -89.2 -5.5 73.0 21.1 -56.3 1363 167 K F < - 0 0 11 -3,-2.5 2,-0.6 -4,-0.3 -25,-0.2 -0.385 67.1-123.5 -65.6 136.7 76.5 22.1 -57.5 1364 168 K V E -W 1337 0O 45 -27,-3.3 -27,-1.8 -2,-0.1 2,-0.5 -0.721 29.9-150.8 -80.9 119.4 77.1 21.4 -61.2 1365 169 K V E -W 1336 0O 51 -2,-0.6 2,-0.5 -29,-0.2 -29,-0.2 -0.842 18.1-171.3-104.6 125.6 80.2 19.2 -61.6 1366 170 K F E W 1335 0O 37 -31,-2.3 -31,-2.5 -2,-0.5 -807,-0.0 -0.973 360.0 360.0-104.8 120.2 82.6 19.0 -64.5 1367 171 K E 0 0 166 -2,-0.5 -33,-0.2 -33,-0.2 -34,-0.1 -0.882 360.0 360.0-137.1 360.0 84.9 16.1 -64.0