==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-AUG-10 3OLT . COMPND 2 MOLECULE: PROSTAGLANDIN G/H SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.J.VECCHIO,M.G.MALKOWSKI . 1102 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 706 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 . 2 0.2 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 . 53 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 375 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 6 4 4 8 7 4 3 2 0 2 1 0 3 0 1 0 0 0 2 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 23 2 4 2 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 . 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 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 33 A H 0 0 135 0, 0.0 127,-0.1 0, 0.0 125,-0.0 0.000 360.0 360.0 360.0 158.4 7.2 50.9 65.7 2 34 A H > - 0 0 58 1,-0.2 3,-1.6 2,-0.1 4,-0.2 -0.280 360.0-140.7 -54.6 128.5 7.1 47.7 63.5 3 35 A P T 3 S+ 0 0 22 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.614 100.3 60.5 -70.0 -11.4 3.6 46.2 63.6 4 36 A a T > S+ 0 0 14 1,-0.2 3,-1.8 2,-0.1 5,-0.1 0.354 72.4 104.2 -94.3 6.1 5.1 42.7 63.6 5 37 A b T < S+ 0 0 4 -3,-1.6 129,-0.3 1,-0.3 -1,-0.2 0.845 77.6 53.6 -55.0 -36.3 7.0 43.4 66.9 6 38 A S T 3 S- 0 0 63 -3,-0.4 -1,-0.3 127,-0.2 -2,-0.1 0.605 106.3-127.9 -77.0 -9.0 4.5 41.3 68.9 7 39 A N < + 0 0 38 -3,-1.8 -2,-0.1 1,-0.1 -3,-0.1 0.961 40.5 172.4 60.6 54.5 5.0 38.3 66.6 8 40 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 17,-0.1 0.806 46.6 90.3 -68.4 -28.2 1.2 37.8 66.0 9 41 A c - 0 0 21 -5,-0.1 3,-0.2 15,-0.1 2,-0.2 -0.517 60.2-169.3 -76.3 130.1 1.6 35.1 63.3 10 42 A Q > + 0 0 45 26,-2.9 3,-2.2 -2,-0.3 22,-0.1 -0.568 56.4 31.5-109.4 170.9 1.6 31.5 64.6 11 43 A N T 3 S- 0 0 68 1,-0.3 -1,-0.2 -2,-0.2 21,-0.1 0.746 132.5 -52.7 56.5 35.4 2.3 28.1 63.1 12 44 A R T 3 S+ 0 0 68 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.588 92.5 152.0 73.1 12.6 5.0 29.4 60.7 13 45 A G < - 0 0 11 -3,-2.2 2,-0.4 23,-0.2 -1,-0.2 -0.336 45.3-120.8 -57.4 155.9 2.7 32.0 59.1 14 46 A E E -A 26 0A 18 12,-1.9 12,-3.0 2,-0.0 2,-0.4 -0.897 18.6-140.4-107.6 137.5 4.8 35.0 57.8 15 47 A a E +A 25 0A 47 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.774 23.9 171.0 -98.9 142.1 4.3 38.5 59.1 16 48 A M E -A 24 0A 28 8,-1.4 8,-2.6 -2,-0.4 2,-0.1 -0.987 31.0-121.3-149.3 134.0 4.4 41.5 56.8 17 49 A S E -A 23 0A 6 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.489 17.9-169.9 -75.4 149.0 3.4 45.1 57.5 18 50 A T - 0 0 55 4,-2.4 3,-0.2 1,-0.4 2,-0.2 -0.581 70.0 -21.7-135.1 67.3 0.7 46.7 55.4 19 51 A G S S- 0 0 15 1,-0.1 -1,-0.4 2,-0.1 3,-0.3 -0.527 96.0 -62.5 109.7 171.4 1.0 50.3 56.4 20 52 A F S S+ 0 0 132 1,-0.2 -1,-0.1 -2,-0.2 821,-0.0 0.755 132.3 24.3 -67.9 -27.2 2.5 52.0 59.5 21 53 A D S S+ 0 0 150 -3,-0.2 2,-0.3 -19,-0.1 -1,-0.2 0.353 111.5 74.1-122.8 4.3 0.1 50.4 62.0 22 54 A Q - 0 0 67 -3,-0.3 -4,-2.4 2,-0.0 2,-0.3 -0.836 49.1-170.0-127.2 157.2 -1.1 47.2 60.4 23 55 A Y E -A 17 0A 61 -6,-0.3 2,-0.3 -2,-0.3 -6,-0.2 -0.908 9.3-152.2-136.5 166.0 0.1 43.7 59.5 24 56 A K E -A 16 0A 89 -8,-2.6 -8,-1.4 -2,-0.3 2,-0.4 -0.996 14.6-139.7-138.6 137.8 -1.0 40.7 57.5 25 57 A c E -A 15 0A 17 10,-0.5 2,-0.7 -2,-0.3 -10,-0.2 -0.826 9.7-144.0 -95.9 136.0 -0.1 37.1 58.2 26 58 A D E -A 14 0A 19 -12,-3.0 -12,-1.9 -2,-0.4 9,-0.0 -0.896 18.3-179.5-100.4 110.2 0.7 34.8 55.2 27 59 A d > + 0 0 26 -2,-0.7 3,-2.1 -14,-0.2 4,-0.5 0.234 21.4 151.8 -95.7 11.4 -0.6 31.4 56.0 28 60 A T T 3 S- 0 0 39 1,-0.3 -2,-0.1 2,-0.1 5,-0.0 -0.216 77.6 -12.1 -51.1 122.9 0.4 29.6 52.8 29 61 A R T 3 S+ 0 0 108 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.603 101.5 115.0 60.6 20.8 1.1 25.8 53.5 30 62 A T S < S- 0 0 24 -3,-2.1 -2,-0.1 2,-0.3 -1,-0.1 0.691 82.0-121.1 -87.8 -23.2 0.9 26.2 57.3 31 63 A G S S+ 0 0 13 -4,-0.5 10,-2.8 1,-0.4 2,-0.3 0.444 84.1 82.4 93.4 2.9 -2.2 24.1 57.8 32 64 A F E -B 40 0B 26 -5,-0.4 -1,-0.4 8,-0.3 -2,-0.3 -0.878 52.0-175.3-135.3 162.2 -4.0 27.0 59.4 33 65 A Y E +B 39 0B 127 6,-2.5 6,-2.5 -2,-0.3 5,-0.4 -0.792 35.7 86.8-143.8-169.4 -5.9 30.2 58.4 34 66 A G S > S- 0 0 38 -2,-0.2 3,-1.3 3,-0.2 -9,-0.1 -0.308 95.0 -51.7 91.1 174.2 -7.5 33.2 60.0 35 67 A E T 3 S+ 0 0 144 1,-0.3 -10,-0.5 -2,-0.1 -1,-0.2 0.784 140.3 22.4 -59.2 -37.3 -5.8 36.5 60.9 36 68 A N T 3 S- 0 0 45 -3,-0.2 -26,-2.9 -27,-0.1 -1,-0.3 0.142 113.1-103.7-114.6 20.9 -2.8 35.0 62.9 37 69 A d S < S+ 0 0 0 -3,-1.3 -3,-0.2 -28,-0.2 -24,-0.1 0.903 84.2 130.1 55.3 45.5 -2.9 31.5 61.3 38 70 A T + 0 0 74 -5,-0.4 -4,-0.2 -6,-0.1 -27,-0.1 0.586 41.7 84.3-103.3 -12.6 -4.5 30.2 64.5 39 71 A T E S-B 33 0B 49 -6,-2.5 -6,-2.5 1,-0.0 2,-0.2 -0.838 75.4-136.2 -95.7 121.0 -7.5 28.3 63.0 40 72 A P E -B 32 0B 20 0, 0.0 -8,-0.3 0, 0.0 -9,-0.1 -0.515 13.0-120.6 -78.6 140.7 -6.6 24.7 61.8 41 73 A E > - 0 0 108 -10,-2.8 4,-2.4 -2,-0.2 3,-0.4 -0.324 38.8-101.9 -66.4 159.8 -7.8 23.3 58.5 42 74 A F H > S+ 0 0 161 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.913 124.1 48.5 -54.2 -46.4 -9.9 20.1 59.1 43 75 A L H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.799 111.6 51.2 -63.9 -31.2 -7.0 17.7 58.1 44 76 A T H > S+ 0 0 22 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.891 103.2 57.5 -69.7 -44.4 -4.7 19.7 60.5 45 77 A R H X S+ 0 0 131 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.871 113.0 42.3 -54.9 -37.9 -7.2 19.4 63.3 46 78 A I H X S+ 0 0 71 -4,-1.5 4,-1.6 2,-0.2 5,-0.2 0.907 109.6 55.3 -73.6 -47.3 -6.8 15.6 62.8 47 79 A K H X S+ 0 0 130 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 110.0 49.2 -54.2 -44.3 -3.0 15.6 62.3 48 80 A L H < S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.967 105.6 54.2 -58.0 -60.3 -2.6 17.3 65.7 49 81 A L H < S+ 0 0 142 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.788 118.9 34.9 -44.7 -37.3 -4.9 15.0 67.7 50 82 A L H < S+ 0 0 126 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.837 90.4 99.6 -93.0 -38.0 -2.9 11.9 66.6 51 83 A K S < S- 0 0 130 -4,-2.3 2,-0.0 -5,-0.2 -4,-0.0 -0.334 73.8-124.6 -58.5 121.9 0.7 13.1 66.3 52 84 A P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.320 25.1-109.5 -66.2 147.5 2.7 12.1 69.4 53 85 A T > - 0 0 76 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.320 28.2-110.3 -67.5 158.8 4.5 14.8 71.4 54 86 A P H > S+ 0 0 31 0, 0.0 4,-3.1 0, 0.0 5,-0.1 0.871 120.5 54.6 -58.6 -36.7 8.3 15.0 71.3 55 87 A N H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.801 107.7 49.5 -67.1 -32.4 8.4 13.8 75.0 56 88 A T H > S+ 0 0 65 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.968 113.3 45.4 -66.5 -56.0 6.3 10.8 74.1 57 89 A V H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.903 113.2 51.4 -52.5 -45.5 8.6 9.9 71.2 58 90 A H H X S+ 0 0 29 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.908 110.0 49.1 -59.4 -42.9 11.6 10.5 73.5 59 91 A Y H < S+ 0 0 124 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.905 109.9 51.2 -61.4 -44.7 10.1 8.2 76.2 60 92 A I H >< S+ 0 0 77 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.881 111.5 48.2 -60.8 -37.9 9.5 5.5 73.6 61 93 A L H 3< S+ 0 0 11 -4,-2.0 264,-2.2 1,-0.2 265,-0.6 0.682 112.9 46.7 -80.4 -19.6 13.0 5.7 72.3 62 94 A T T 3< S+ 0 0 28 -4,-1.2 -1,-0.2 -3,-0.4 2,-0.2 0.243 114.4 46.2-107.3 11.5 14.6 5.6 75.7 63 95 A H S < S+ 0 0 71 -3,-0.7 5,-0.2 -4,-0.3 262,-0.2 -0.663 79.8 59.2-131.5-170.3 12.6 2.6 77.1 64 96 A F >> + 0 0 114 -2,-0.2 4,-1.8 1,-0.1 3,-1.8 0.878 54.7 173.9 53.2 46.6 11.4 -0.8 76.0 65 97 A K H 3> S+ 0 0 119 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.814 72.3 62.2 -55.2 -34.1 15.0 -2.0 75.6 66 98 A G H 3> S+ 0 0 53 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.746 106.1 44.1 -63.9 -28.2 13.8 -5.5 74.9 67 99 A V H X> S+ 0 0 86 -3,-1.8 4,-2.7 2,-0.2 3,-0.7 0.892 112.7 50.7 -81.7 -44.4 11.9 -4.4 71.8 68 100 A W H 3X S+ 0 0 21 -4,-1.8 4,-3.6 1,-0.3 5,-0.2 0.866 103.8 60.3 -61.8 -38.2 14.7 -2.2 70.5 69 101 A N H 3< S+ 0 0 85 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.3 0.824 109.9 42.2 -55.0 -36.1 17.1 -5.2 70.9 70 102 A I H XX S+ 0 0 106 -3,-0.7 3,-1.5 -4,-0.5 4,-0.6 0.967 116.4 46.8 -73.1 -56.2 14.8 -7.0 68.4 71 103 A V H >< S+ 0 0 15 -4,-2.7 3,-1.1 1,-0.3 7,-0.5 0.853 107.8 56.9 -52.8 -42.6 14.4 -4.1 66.0 72 104 A N T 3< S+ 0 0 22 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.2 0.730 109.2 46.9 -63.2 -23.2 18.2 -3.3 66.1 73 105 A N T <4 S+ 0 0 123 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.425 96.1 76.0-102.9 1.4 19.0 -6.8 64.9 74 105AA I XX - 0 0 74 -3,-1.1 4,-2.3 -4,-0.6 3,-1.2 -0.853 69.7-159.3-112.8 94.8 16.4 -6.9 62.1 75 106 A P H 3> S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.776 88.1 53.5 -45.4 -45.4 18.0 -4.8 59.3 76 107 A F H 3> S+ 0 0 155 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.899 113.8 42.4 -57.8 -44.5 14.7 -4.1 57.5 77 108 A L H <> S+ 0 0 59 -3,-1.2 4,-2.7 2,-0.2 5,-0.2 0.902 111.0 55.4 -69.0 -42.3 13.0 -2.8 60.7 78 109 A R H X S+ 0 0 57 -4,-2.3 4,-2.7 -7,-0.5 -2,-0.2 0.937 110.4 46.6 -56.1 -47.2 16.1 -0.8 61.7 79 110 A S H X S+ 0 0 25 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.863 110.3 52.9 -62.5 -40.9 16.0 0.9 58.3 80 111 A L H X S+ 0 0 91 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.964 112.6 43.7 -58.9 -53.9 12.3 1.6 58.5 81 112 A I H X S+ 0 0 41 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.922 114.3 50.0 -59.7 -45.7 12.7 3.2 62.0 82 113 A M H X S+ 0 0 6 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.906 106.9 55.5 -60.2 -42.2 15.8 5.2 60.8 83 114 A K H X S+ 0 0 67 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.902 110.2 45.9 -55.2 -43.8 13.8 6.4 57.8 84 115 A Y H X S+ 0 0 117 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.953 110.8 53.1 -60.5 -49.5 11.2 7.7 60.2 85 116 A V H X S+ 0 0 26 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.890 113.7 42.7 -54.1 -44.3 13.9 9.3 62.3 86 117 A L H X S+ 0 0 9 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.825 119.4 42.3 -72.1 -34.0 15.4 11.1 59.3 87 118 A T H X S+ 0 0 42 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.728 101.0 66.2 -92.2 -22.2 12.1 12.2 57.8 88 119 A S H < S+ 0 0 37 -4,-2.8 -1,-0.1 -5,-0.2 -2,-0.1 0.916 111.0 37.7 -58.8 -47.3 10.2 13.3 61.0 89 120 A R H >< S+ 0 0 34 -4,-0.8 3,-1.2 -5,-0.2 -2,-0.2 0.992 93.4 86.7 -64.3 -81.3 12.6 16.2 61.4 90 121 A S H >< S+ 0 0 27 -4,-0.9 3,-2.0 1,-0.3 -1,-0.1 0.216 80.2 59.2 20.7 -80.8 13.3 17.3 57.8 91 122 A Y T 3< S+ 0 0 153 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.414 90.6 74.5 -54.6 -3.2 10.4 19.8 57.3 92 123 A L T < S+ 0 0 12 -3,-1.2 2,-0.5 2,-0.1 -1,-0.3 0.636 83.7 70.4 -89.5 -16.0 11.5 22.0 60.2 93 124 A I S < S- 0 0 28 -3,-2.0 2,-0.5 -4,-0.1 27,-0.0 -0.900 81.6-126.4-106.9 129.2 14.5 23.6 58.5 94 125 A D - 0 0 15 -2,-0.5 4,-0.2 970,-0.0 -2,-0.1 -0.586 31.1-158.7 -66.4 117.9 14.1 26.2 55.6 95 126 A S S S+ 0 0 27 -2,-0.5 799,-0.1 1,-0.1 969,-0.1 -0.863 84.6 41.7-149.7 112.0 16.1 24.9 52.7 96 127 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 968,-0.1 0.330 117.0-117.1 -53.1 146.9 17.0 26.9 50.6 97 128 A P - 0 0 6 0, 0.0 -2,-0.1 0, 0.0 23,-0.1 -0.114 33.1-171.5 -70.2 167.5 17.7 29.1 53.6 98 129 A T + 0 0 2 21,-0.3 9,-0.3 1,-0.2 7,-0.1 0.672 45.4 36.6-123.6 -81.3 15.8 32.4 54.3 99 130 A Y B +C 119 0C 15 20,-0.7 20,-1.6 7,-0.1 2,-0.3 -0.284 47.7 176.8 -90.3 164.5 16.6 35.0 57.0 100 131 A N B > -D 103 0D 2 3,-1.5 3,-0.9 18,-0.2 18,-0.1 -0.879 51.1 -75.9-146.8-172.2 19.8 36.4 58.6 101 132 A V T 3 S+ 0 0 27 16,-0.5 3,-0.1 87,-0.3 17,-0.1 0.764 130.5 35.4 -59.6 -28.9 20.9 39.0 61.1 102 133 A H T 3 S+ 0 0 112 1,-0.2 2,-0.5 86,-0.1 -1,-0.3 0.487 113.4 63.2-102.9 -7.0 20.3 41.9 58.7 103 134 A Y B < +D 100 0D 17 -3,-0.9 -3,-1.5 1,-0.1 -1,-0.2 -0.887 41.7 169.8-130.3 102.7 17.2 40.5 56.8 104 135 A G S S+ 0 0 41 -2,-0.5 2,-0.3 -5,-0.2 -1,-0.1 0.183 77.2 49.6 -89.8 16.2 13.9 39.8 58.6 105 136 A Y S S- 0 0 45 -7,-0.1 5,-0.1 -5,-0.1 -5,-0.1 -0.954 104.2 -83.3-143.2 156.5 12.3 39.3 55.2 106 137 A K + 0 0 10 -2,-0.3 2,-0.3 963,-0.1 749,-0.1 -0.436 58.1 160.4 -64.7 134.8 13.3 37.1 52.3 107 138 A S > - 0 0 0 -9,-0.3 4,-2.1 -2,-0.1 5,-0.1 -0.979 52.2-118.3-149.5 155.4 15.8 38.7 50.0 108 139 A W H > S+ 0 0 12 743,-0.4 4,-2.9 -2,-0.3 5,-0.3 0.874 115.1 59.0 -60.8 -39.5 18.4 37.8 47.3 109 140 A E H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 108.5 44.9 -55.2 -46.2 21.1 39.2 49.5 110 141 A A H 4 S+ 0 0 4 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.900 115.4 47.7 -65.9 -40.2 20.2 36.8 52.3 111 142 A F H < S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.921 122.2 31.8 -63.8 -43.2 19.9 33.9 50.0 112 143 A S H < S+ 0 0 48 -4,-2.9 2,-1.0 -5,-0.1 -2,-0.2 0.661 89.5 92.7 -98.6 -18.1 23.2 34.4 48.2 113 144 A N >< - 0 0 42 -4,-2.1 3,-1.1 -5,-0.3 -1,-0.1 -0.693 49.2-174.7 -84.0 103.3 25.6 36.0 50.7 114 145 A L T 3 S+ 0 0 56 -2,-1.0 -1,-0.2 1,-0.2 76,-0.1 0.600 71.8 79.7 -73.2 -12.1 27.4 32.9 52.1 115 146 A S T 3 S+ 0 0 19 74,-0.1 75,-3.4 -3,-0.1 2,-0.3 0.687 83.1 77.9 -66.9 -22.6 29.3 35.1 54.6 116 147 A Y B < S-E 189 0E 18 -3,-1.1 2,-0.3 73,-0.3 73,-0.3 -0.655 80.7-126.4 -86.9 144.4 26.3 35.2 56.9 117 148 A Y - 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0 0 16 -4,-2.5 4,-2.0 -5,-0.4 5,-0.1 0.062 29.2 -80.3 86.7 156.6 51.7 10.9 74.0 388 419 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.869 125.9 61.4 -59.4 -39.4 48.4 10.3 72.1 389 420 A T H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.949 109.5 40.5 -54.8 -53.8 48.0 6.8 73.7 390 421 A Q H X S+ 0 0 48 -4,-0.6 4,-2.6 2,-0.2 -23,-0.3 0.867 111.3 58.6 -65.0 -36.0 47.9 8.3 77.3 391 422 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.952 110.3 42.7 -54.3 -48.4 45.7 11.2 76.0 392 423 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.935 114.6 48.8 -65.5 -47.4 43.1 8.7 74.8 393 424 A E H X S+ 0 0 71 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.886 116.8 43.0 -60.9 -40.4 43.3 6.5 77.9 394 425 A S H X S+ 0 0 3 -4,-2.6 4,-1.4 2,-0.2 3,-0.3 0.910 115.3 47.0 -73.6 -43.7 43.0 9.5 80.2 395 426 A F H < S+ 0 0 0 -4,-2.7 -230,-1.4 -5,-0.3 -229,-1.1 0.780 107.6 57.0 -72.3 -26.0 40.3 11.3 78.3 396 427 A T H < S+ 0 0 14 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.803 112.2 44.0 -69.4 -28.2 38.2 8.1 78.0 397 428 A R H < S+ 0 0 154 -4,-0.8 2,-0.4 -3,-0.3 -2,-0.2 0.694 94.4 87.9 -91.8 -23.4 38.2 7.8 81.8 398 429 A Q S < S- 0 0 21 -4,-1.4 -233,-1.3 -33,-0.1 -232,-0.2 -0.671 73.9-129.2 -89.2 129.7 37.5 11.5 82.8 399 430 A I B -K 164 0K 49 -2,-0.4 -235,-0.3 -235,-0.2 2,-0.2 -0.453 15.6-139.3 -76.6 143.2 33.8 12.5 83.1 400 431 A A - 0 0 0 -237,-3.2 -241,-3.0 -2,-0.1 -40,-0.2 -0.519 28.5 -96.5 -91.8 167.9 32.5 15.7 81.4 401 432 A G B -I 158 0I 0 -42,-2.1 2,-0.1 -243,-0.3 -1,-0.1 -0.483 36.2-100.0 -88.4 155.5 30.0 18.1 83.0 402 433 A R - 0 0 53 -245,-2.7 -245,-0.2 -2,-0.2 84,-0.1 -0.481 27.4-156.8 -70.4 142.1 26.3 18.2 82.7 403 434 A V S S+ 0 0 2 83,-0.7 3,-0.4 -2,-0.1 84,-0.2 0.938 72.3 38.9 -91.8 -56.0 25.1 20.8 80.2 404 435 A A S S+ 0 0 3 82,-2.8 74,-0.2 1,-0.2 73,-0.2 -0.184 84.1 73.1 -75.9-177.6 21.5 21.6 81.2 405 436 A G S S- 0 0 29 74,-1.6 73,-0.2 71,-0.1 -1,-0.2 0.361 97.5-100.9 93.5 -4.6 20.3 21.8 84.9 406 437 A G S S+ 0 0 4 71,-2.7 -255,-0.2 -3,-0.4 72,-0.1 0.157 90.1 52.1 84.5 161.3 21.9 25.2 85.6 407 438 A R S S+ 0 0 46 -257,-3.3 -253,-0.8 1,-0.1 -255,-0.2 0.801 71.3 111.1 45.6 54.1 25.1 26.5 87.4 408 439 A N + 0 0 3 -257,-1.1 -256,-0.2 -255,-0.2 -1,-0.1 0.269 32.0 117.3-138.3 15.4 27.7 24.4 85.7 409 440 A V B -h 152 0H 2 -258,-2.7 -256,-2.5 -262,-0.1 5,-0.1 -0.758 68.6-120.6 -86.2 118.2 29.7 26.8 83.5 410 441 A P > - 0 0 4 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.341 13.5-130.3 -62.0 136.5 33.3 26.8 84.7 411 442 A I G > S+ 0 0 90 1,-0.3 3,-1.4 -258,-0.2 4,-0.2 0.680 101.6 76.6 -63.3 -18.1 34.4 30.3 85.8 412 443 A A G 3 S+ 0 0 67 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.778 105.8 33.5 -58.8 -28.4 37.6 29.9 83.7 413 444 A V G X> S+ 0 0 22 -3,-2.0 4,-1.8 1,-0.1 3,-0.7 -0.025 79.6 122.0-117.9 28.0 35.4 30.6 80.6 414 445 A Q H <> S+ 0 0 74 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.849 72.1 58.7 -61.0 -33.1 32.9 33.0 82.2 415 446 A A H 3> S+ 0 0 73 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 105.3 50.6 -64.0 -34.7 33.8 35.7 79.6 416 447 A V H <> S+ 0 0 62 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.901 110.6 47.3 -71.1 -46.2 32.7 33.3 76.8 417 448 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.910 111.1 51.4 -62.4 -43.6 29.4 32.5 78.4 418 449 A K H X S+ 0 0 66 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.920 109.2 53.1 -56.1 -41.8 28.7 36.3 79.0 419 450 A A H X S+ 0 0 30 -4,-1.7 4,-3.0 1,-0.3 5,-0.3 0.868 101.1 58.1 -65.8 -39.6 29.5 36.8 75.3 420 451 A S H X S+ 0 0 8 -4,-2.0 4,-1.5 2,-0.2 -1,-0.3 0.885 111.9 42.8 -53.1 -43.2 27.0 34.2 74.2 421 452 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.3 -2,-0.2 0.944 115.5 46.6 -68.9 -53.3 24.4 36.2 76.0 422 453 A D H X S+ 0 0 53 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.864 113.9 49.4 -58.3 -38.0 25.5 39.7 74.8 423 454 A Q H X S+ 0 0 58 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.872 104.8 56.8 -74.5 -34.3 25.9 38.4 71.2 424 455 A S H <>S+ 0 0 5 -4,-1.5 5,-2.5 -5,-0.3 -1,-0.2 0.884 111.8 45.2 -53.3 -43.1 22.4 36.9 71.2 425 456 A R H ><5S+ 0 0 58 -4,-1.6 3,-1.6 3,-0.2 -2,-0.2 0.898 110.1 51.4 -74.8 -40.1 21.2 40.3 72.1 426 457 A E H 3<5S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 110.7 49.8 -65.3 -31.2 23.3 42.1 69.5 427 458 A M T 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.320 114.0-123.7 -87.3 5.1 21.9 39.7 66.9 428 459 A K T < 5 - 0 0 76 -3,-1.6 -304,-2.2 1,-0.2 -3,-0.2 0.822 37.0-167.5 54.9 42.8 18.4 40.5 68.1 429 460 A Y < - 0 0 12 -5,-2.5 -1,-0.2 -306,-0.2 3,-0.1 -0.264 19.3-118.6 -53.8 139.6 17.4 36.9 68.9 430 461 A Q - 0 0 8 -308,-0.2 42,-0.5 1,-0.1 -1,-0.1 -0.241 44.2 -81.7 -68.5 168.9 13.7 36.2 69.6 431 462 A S B > -Q 471 0Q 4 -299,-0.3 4,-2.1 37,-0.2 40,-0.2 -0.213 38.0-102.4 -77.0 167.8 12.8 34.7 73.0 432 463 A L H > S+ 0 0 0 38,-2.8 4,-2.7 1,-0.2 5,-0.1 0.887 121.1 50.2 -52.6 -48.4 13.0 31.1 74.1 433 464 A N H > S+ 0 0 0 34,-0.4 4,-2.4 37,-0.4 -1,-0.2 0.821 107.0 54.0 -69.6 -30.0 9.2 30.6 73.7 434 465 A E H > S+ 0 0 35 34,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 112.2 45.5 -64.3 -43.2 9.3 32.0 70.2 435 466 A Y H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.881 110.7 52.7 -66.5 -37.2 12.0 29.4 69.4 436 467 A R H ><>S+ 0 0 8 -4,-2.7 5,-2.1 2,-0.2 3,-1.0 0.957 110.1 48.0 -62.5 -48.6 10.1 26.6 71.1 437 468 A K H ><5S+ 0 0 70 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.889 106.7 57.3 -57.4 -42.4 7.0 27.4 69.0 438 469 A R H 3<5S+ 0 0 15 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.777 110.3 45.4 -55.0 -28.8 9.1 27.5 65.8 439 470 A F T <<5S- 0 0 3 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.056 124.5 -99.0-113.2 24.2 10.2 23.9 66.6 440 471 A S T < 5S+ 0 0 72 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.790 79.0 131.4 67.1 37.0 6.8 22.5 67.5 441 472 A L < - 0 0 9 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.1 -0.915 63.4-107.7-115.8 143.9 7.0 22.7 71.3 442 473 A K - 0 0 72 -2,-0.4 3,-0.1 1,-0.1 2,-0.1 -0.469 44.1-109.5 -61.4 133.9 4.5 24.2 73.8 443 474 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.411 37.8-101.3 -61.7 143.9 5.8 27.5 75.2 444 475 A Y - 0 0 15 23,-0.1 3,-0.1 1,-0.1 -11,-0.1 -0.508 26.6-157.2 -66.2 139.1 6.8 27.4 78.8 445 476 A T S S+ 0 0 112 -2,-0.2 2,-0.3 1,-0.2 22,-0.2 0.526 70.1 6.4 -96.6 -9.6 4.2 28.9 81.2 446 477 A S S > S- 0 0 46 21,-0.1 4,-1.5 1,-0.1 -1,-0.2 -0.975 71.1-109.8-162.2 163.9 6.5 29.7 84.1 447 478 A F H > S+ 0 0 10 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.818 117.4 58.3 -69.0 -29.9 10.1 29.7 85.2 448 479 A E H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.865 103.6 52.0 -67.1 -36.2 9.5 26.7 87.5 449 480 A E H 4 S+ 0 0 97 1,-0.2 31,-0.2 2,-0.2 -1,-0.2 0.908 110.3 49.9 -65.7 -41.1 8.2 24.7 84.5 450 481 A L H < S+ 0 0 0 -4,-1.5 30,-2.8 1,-0.2 -2,-0.2 0.909 122.6 29.2 -60.4 -46.1 11.5 25.6 82.7 451 482 A T H < S- 0 0 10 -4,-2.1 -2,-0.2 28,-0.3 -1,-0.2 0.762 89.1-139.5 -92.9 -27.5 13.9 24.6 85.5 452 483 A G S < S+ 0 0 51 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.587 78.4 77.3 78.6 13.3 11.9 21.9 87.3 453 484 A E S S- 0 0 56 -5,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.726 76.8-129.3-146.5 176.5 13.2 23.4 90.5 454 485 A K S > S+ 0 0 79 -2,-0.2 4,-1.4 -3,-0.1 5,-0.1 0.790 89.8 58.0-110.2 -38.7 12.4 26.5 92.7 455 486 A E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.915 112.5 36.9 -68.2 -47.8 15.6 28.4 93.5 456 487 A M H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.853 113.1 60.6 -70.8 -35.0 16.8 29.3 90.0 457 488 A A H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.841 105.6 47.5 -58.7 -35.2 13.2 29.8 88.9 458 489 A A H X S+ 0 0 61 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.892 111.7 48.8 -77.4 -38.6 12.9 32.6 91.5 459 490 A E H X S+ 0 0 68 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.945 112.8 48.8 -64.1 -45.0 16.1 34.3 90.5 460 491 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.4 0.865 110.0 52.0 -61.8 -35.6 15.1 34.1 86.8 461 492 A K H X S+ 0 0 120 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.874 109.1 48.7 -70.5 -37.1 11.6 35.6 87.6 462 493 A A H < S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.783 118.1 43.1 -71.0 -26.5 13.1 38.5 89.5 463 494 A L H < S+ 0 0 16 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.870 130.4 19.6 -84.7 -43.9 15.4 39.1 86.6 464 495 A Y H < S- 0 0 3 -4,-2.9 2,-2.1 -5,-0.2 -327,-0.3 0.680 76.8-160.3-102.8 -23.4 13.1 38.6 83.5 465 496 A S S < S+ 0 0 50 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.264 72.9 54.7 66.8 -50.3 9.6 39.1 85.0 466 497 A D > - 0 0 50 -2,-2.1 3,-1.6 1,-0.1 4,-0.1 -0.973 69.6-146.9-121.2 129.9 7.8 37.3 82.2 467 498 A I G > S+ 0 0 13 -2,-0.4 3,-1.4 1,-0.3 -34,-0.4 0.764 99.1 69.0 -57.6 -29.5 8.6 33.8 80.9 468 499 A D G 3 S+ 0 0 51 1,-0.3 -1,-0.3 -23,-0.1 -34,-0.2 0.648 101.7 45.7 -71.3 -13.4 7.7 35.0 77.4 469 500 A V G < S+ 0 0 5 -3,-1.6 -1,-0.3 -38,-0.1 -2,-0.2 0.319 80.3 126.6-109.6 11.2 10.9 37.1 77.4 470 501 A M < - 0 0 0 -3,-1.4 -38,-2.8 -4,-0.1 -37,-0.4 -0.391 62.7-117.1 -62.0 141.8 13.3 34.5 78.8 471 502 A E B > -Q 431 0Q 6 -40,-0.2 4,-1.3 -39,-0.1 -40,-0.1 -0.499 9.3-125.1 -89.8 155.1 16.3 34.2 76.4 472 503 A L H > S+ 0 0 3 -42,-0.5 4,-2.1 2,-0.2 -1,-0.1 0.949 100.1 46.8 -61.2 -55.9 17.3 31.2 74.4 473 504 A Y H > S+ 0 0 1 1,-0.3 4,-1.2 2,-0.2 3,-0.2 0.949 114.8 42.4 -66.5 -51.5 20.9 30.6 75.5 474 505 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.897 112.7 58.3 -59.3 -32.2 20.6 30.9 79.2 475 506 A A H X S+ 0 0 1 -4,-1.3 4,-1.8 1,-0.2 3,-0.5 0.897 101.0 53.8 -64.1 -39.7 17.4 28.8 79.0 476 507 A L H < S+ 0 0 1 -4,-2.1 12,-0.3 1,-0.2 -1,-0.2 0.814 110.7 47.4 -63.1 -29.8 19.2 25.9 77.3 477 508 A L H < S+ 0 0 5 -4,-1.2 -71,-2.7 -3,-0.4 -1,-0.2 0.696 118.4 38.2 -88.2 -16.8 21.7 25.8 80.2 478 509 A V H < S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.571 87.6 124.4-106.1 -10.2 19.2 26.0 83.1 479 510 A E S < S- 0 0 0 -4,-1.8 -74,-1.6 -5,-0.2 -28,-0.3 -0.084 74.4-100.1 -53.4 142.9 16.5 23.8 81.5 480 511 A K - 0 0 72 -30,-2.8 9,-0.5 -31,-0.2 -1,-0.1 -0.523 47.5-127.7 -59.7 120.5 15.2 20.7 83.4 481 512 A P B -R 488 0R 24 0, 0.0 7,-0.3 0, 0.0 3,-0.2 -0.351 22.5 -96.9 -70.0 152.0 17.1 17.8 81.8 482 513 A H S > S- 0 0 16 5,-2.3 3,-2.4 1,-0.2 5,-0.0 -0.288 75.1 -59.9 -51.0 152.4 15.4 14.7 80.4 483 514 A P T 3 S- 0 0 118 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.212 121.5 -14.1 -52.6 124.9 15.6 12.0 83.1 484 515 A D T 3 S+ 0 0 126 1,-0.2 2,-0.2 -3,-0.2 -2,-0.1 0.777 111.2 135.6 48.4 37.6 19.3 11.4 83.9 485 516 A A < - 0 0 8 -3,-2.4 -1,-0.2 2,-0.1 -164,-0.0 -0.659 65.1-134.0-113.4 165.1 20.3 13.2 80.8 486 517 A I S S+ 0 0 0 -165,-0.2 -82,-2.8 -2,-0.2 -83,-0.7 0.709 88.7 41.5 -83.7 -26.0 22.8 15.8 79.8 487 518 A F S S- 0 0 14 -84,-0.2 -5,-2.3 -166,-0.2 2,-0.2 -0.760 72.2-126.5-122.5 167.2 20.3 18.0 77.9 488 519 A G B >> -R 481 0R 0 -7,-0.3 4,-1.6 -12,-0.3 3,-0.6 -0.541 41.1 -92.8-101.9 174.4 16.8 19.3 78.1 489 520 A E H 3> S+ 0 0 26 -9,-0.5 4,-2.6 1,-0.2 5,-0.2 0.838 120.8 56.2 -52.6 -42.3 14.0 19.0 75.6 490 521 A T H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 5,-0.4 0.843 105.0 51.4 -69.5 -32.4 14.8 22.4 73.9 491 522 A M H <> S+ 0 0 4 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.941 114.2 43.2 -67.7 -46.5 18.4 21.4 73.1 492 523 A V H X S+ 0 0 34 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.940 113.6 49.9 -65.5 -49.6 17.3 18.1 71.5 493 524 A E H < S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 121.5 33.5 -66.7 -29.6 14.3 19.5 69.5 494 525 A L H X S+ 0 0 0 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.870 120.7 49.9 -86.2 -45.0 16.3 22.4 68.0 495 526 A G H X S+ 0 0 11 -4,-2.6 4,-2.1 -5,-0.4 -2,-0.2 0.901 102.1 59.3 -60.8 -47.8 19.6 20.6 67.8 496 527 A A H X S+ 0 0 31 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.888 105.0 46.4 -56.1 -49.1 18.4 17.5 66.0 497 528 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.884 112.9 50.6 -65.7 -33.2 16.9 19.1 62.8 498 529 A F H X S+ 0 0 13 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.900 112.1 49.3 -64.8 -37.5 20.0 21.3 62.4 499 530 A S H X S+ 0 0 27 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.930 107.4 51.6 -65.6 -52.9 22.2 18.2 62.7 500 531 A L H >X>S+ 0 0 17 -4,-2.5 4,-3.7 1,-0.2 3,-0.7 0.942 111.7 48.5 -47.0 -55.5 20.3 16.0 60.2 501 532 A K H 3X5S+ 0 0 9 -4,-1.7 4,-1.0 1,-0.3 -1,-0.2 0.853 111.9 48.0 -58.4 -40.6 20.5 18.8 57.6 502 533 A G H 3<5S+ 0 0 13 -4,-1.7 -305,-0.6 -5,-0.2 -1,-0.3 0.718 121.7 36.9 -74.4 -19.1 24.3 19.3 58.2 503 534 A L H X<5S+ 0 0 7 -4,-1.6 3,-0.6 -3,-0.7 -2,-0.2 0.897 125.6 31.8 -98.5 -54.0 24.9 15.6 58.0 504 535 A M H 3<5S+ 0 0 2 -4,-3.7 -3,-0.2 1,-0.2 5,-0.1 0.753 109.5 68.4 -79.0 -24.3 22.6 14.2 55.3 505 536 A G T 3< S+ 0 0 7 0, 0.0 3,-2.2 0, 0.0 6,-0.3 0.799 107.8 69.9 -61.5 -25.1 26.7 16.1 48.6 508 539 A I G 3 S+ 0 0 0 1,-0.3 -2,-0.1 5,-0.1 7,-0.1 0.701 95.9 57.0 -67.0 -12.9 28.4 12.8 49.2 509 540 A C G < S+ 0 0 0 -3,-1.7 -1,-0.3 -5,-0.1 -174,-0.1 0.465 85.4 103.5 -89.9 -6.0 25.0 11.6 50.5 510 541 A S S X> S- 0 0 2 -3,-2.2 4,-2.7 -4,-0.2 3,-1.7 -0.473 86.7-111.3 -78.9 152.7 23.4 12.4 47.2 511 542 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.781 116.3 53.9 -57.9 -29.1 22.5 9.5 44.8 512 543 A Q T 34 S+ 0 0 40 1,-0.2 3,-0.1 135,-0.1 -4,-0.1 0.679 117.5 37.0 -79.8 -14.3 25.2 10.6 42.2 513 544 A Y T <4 S+ 0 0 1 -3,-1.7 2,-2.5 -6,-0.3 5,-0.3 0.772 94.6 84.6 -99.0 -33.7 27.9 10.6 44.8 514 545 A W S < S+ 0 0 10 -4,-2.7 -1,-0.1 -7,-0.2 -5,-0.1 -0.375 70.5 103.8 -77.8 72.0 26.9 7.6 47.0 515 546 A K S >> S- 0 0 3 -2,-2.5 3,-1.0 -3,-0.1 4,-0.5 -0.964 81.0-113.3-148.3 149.0 28.6 5.0 44.8 516 547 A P G >4>S+ 0 0 13 0, 0.0 5,-2.6 0, 0.0 3,-1.5 0.862 111.7 62.8 -59.1 -40.2 31.8 3.0 45.2 517 548 A S G >45S+ 0 0 23 1,-0.3 3,-1.2 3,-0.2 141,-0.1 0.773 92.9 64.9 -57.0 -28.6 33.6 4.7 42.3 518 549 A T G <45S+ 0 0 5 -3,-1.0 -1,-0.3 -5,-0.3 -215,-0.1 0.824 108.5 39.6 -61.8 -31.5 33.3 8.1 44.1 519 550 A F G <<5S- 0 0 0 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.072 129.5 -88.8-110.5 22.7 35.7 6.7 46.8 520 551 A G T < 5S- 0 0 1 -3,-1.2 3,-0.2 4,-0.1 -3,-0.2 0.674 83.7 -52.3 83.0 20.2 38.1 4.8 44.6 521 552 A G S > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.829 130.7 59.4 -56.8 -33.8 34.8 -1.0 47.0 523 554 A V H > S+ 0 0 43 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.925 107.9 42.7 -66.0 -45.6 37.8 -0.5 49.3 524 555 A G H >> S+ 0 0 0 -3,-0.3 4,-1.3 2,-0.2 3,-0.6 0.953 114.1 52.4 -60.4 -48.5 37.3 3.2 49.8 525 556 A F H 3X S+ 0 0 27 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.877 107.8 51.8 -56.0 -41.4 33.5 2.7 50.2 526 557 A K H 3X S+ 0 0 107 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.761 99.5 62.4 -72.2 -28.2 34.1 0.1 52.9 527 558 A I H << S+ 0 0 17 -4,-1.3 3,-0.3 -3,-0.6 4,-0.3 0.934 109.0 44.2 -58.2 -45.3 36.4 2.4 54.9 528 559 A I H >< S+ 0 0 0 -4,-1.3 3,-1.4 1,-0.2 -2,-0.2 0.943 112.4 50.3 -59.6 -50.6 33.4 4.8 55.3 529 560 A N H 3< S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.601 115.3 41.5 -78.6 -7.2 30.8 2.1 56.1 530 561 A T T 3< S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.284 84.9 127.5-117.0 10.0 32.9 0.4 58.9 531 562 A A < + 0 0 7 -3,-1.4 2,-0.3 -4,-0.3 3,-0.1 -0.384 26.7 161.5 -72.1 144.5 34.2 3.6 60.5 532 563 A S > - 0 0 33 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.935 53.2-108.0-152.4 163.5 33.8 4.0 64.3 533 564 A I H > S+ 0 0 4 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.872 123.2 52.7 -67.0 -34.3 35.4 6.2 67.0 534 565 A Q H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.932 109.7 47.1 -64.5 -44.3 37.0 3.0 68.2 535 566 A S H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.872 108.0 56.1 -69.1 -36.4 38.4 2.2 64.7 536 567 A L H X S+ 0 0 1 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.935 115.1 37.6 -53.6 -51.9 39.7 5.7 64.2 537 568 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.5 0.906 115.2 55.2 -69.2 -42.5 41.8 5.6 67.4 538 569 A e H < S+ 0 0 46 -4,-2.8 6,-0.3 1,-0.2 -2,-0.2 0.896 111.9 42.4 -59.7 -40.2 42.7 1.9 66.9 539 570 A N H < S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.674 126.0 30.8 -79.8 -20.8 44.2 2.6 63.4 540 571 A N H < S+ 0 0 15 -4,-0.9 2,-0.5 -3,-0.5 -2,-0.2 0.413 102.8 77.2-123.8 -1.9 46.0 5.8 64.2 541 572 A V S >< S- 0 0 6 -4,-1.9 3,-2.0 -5,-0.1 -1,-0.1 -0.964 83.7-112.3-118.5 124.0 47.1 5.5 67.9 542 573 A K T 3 S+ 0 0 149 -2,-0.5 -2,-0.1 1,-0.3 -3,-0.1 -0.208 102.7 18.3 -51.0 132.3 50.1 3.4 69.0 543 574 A G T 3 S- 0 0 74 1,-0.2 -1,-0.3 -5,-0.1 -5,-0.1 0.400 106.0-108.4 83.7 -0.1 48.9 0.4 71.0 544 575 A e < - 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0 0 2 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 -0.210 14.7-128.0 -57.5 143.8 27.8 35.5 9.6 963 442 B I G > S+ 0 0 97 1,-0.3 3,-1.9 -258,-0.2 4,-0.3 0.818 102.6 71.7 -60.8 -33.7 31.3 36.2 8.4 964 443 B A G 3 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.731 106.4 36.7 -53.1 -28.2 31.6 39.2 10.7 965 444 B V G X> S+ 0 0 19 -3,-1.4 4,-1.8 1,-0.1 3,-0.8 0.028 75.6 121.3-116.6 24.9 31.9 36.8 13.7 966 445 B Q H <> S+ 0 0 80 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 0.870 73.4 58.3 -54.8 -36.7 33.9 34.0 12.2 967 446 B A H 3> S+ 0 0 77 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.851 105.6 50.0 -63.6 -32.5 36.6 34.5 14.8 968 447 B V H <> S+ 0 0 62 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.888 110.1 49.2 -73.2 -40.9 34.0 33.8 17.6 969 448 B A H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.892 110.4 50.8 -67.4 -37.9 32.8 30.6 15.9 970 449 B K H X S+ 0 0 79 -4,-2.3 4,-2.8 1,-0.2 3,-0.2 0.891 106.4 56.6 -64.1 -38.4 36.3 29.3 15.5 971 450 B A H X S+ 0 0 27 -4,-1.6 4,-3.5 1,-0.2 5,-0.4 0.912 100.5 56.8 -63.4 -39.7 36.9 30.0 19.2 972 451 B S H X S+ 0 0 5 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.868 112.1 42.7 -58.5 -38.0 34.0 27.8 20.2 973 452 B I H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.2 -2,-0.2 0.956 118.4 44.4 -68.1 -53.9 35.6 24.9 18.4 974 453 B D H X S+ 0 0 54 -4,-2.8 4,-2.4 1,-0.2 3,-0.5 0.943 116.9 44.7 -58.6 -51.3 39.1 25.7 19.7 975 454 B Q H X S+ 0 0 60 -4,-3.5 4,-2.4 1,-0.3 -1,-0.2 0.889 108.1 58.9 -62.8 -37.6 38.0 26.3 23.2 976 455 B S H <>S+ 0 0 4 -4,-1.4 5,-2.4 -5,-0.4 -1,-0.3 0.876 111.7 41.5 -53.9 -42.2 35.8 23.2 23.0 977 456 B R H ><5S+ 0 0 59 -4,-1.8 3,-1.1 -3,-0.5 -2,-0.2 0.817 110.2 56.0 -74.2 -39.8 39.0 21.2 22.2 978 457 B E H 3<5S+ 0 0 128 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.870 108.4 48.6 -62.4 -37.3 41.1 23.0 24.8 979 458 B M T 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.391 115.6-123.9 -82.1 1.6 38.5 22.0 27.4 980 459 B K T < 5 - 0 0 57 -3,-1.1 -304,-2.3 -5,-0.2 -3,-0.2 0.877 36.4-167.6 59.0 45.7 38.8 18.4 26.0 981 460 B Y < - 0 0 12 -5,-2.4 -1,-0.1 -306,-0.2 3,-0.1 -0.288 18.5-119.3 -58.9 144.2 35.1 17.9 25.2 982 461 B Q - 0 0 7 -308,-0.2 42,-0.5 1,-0.2 -1,-0.1 -0.290 44.7 -75.9 -74.9 172.0 34.0 14.4 24.4 983 462 B S > - 0 0 3 -299,-0.3 4,-2.2 37,-0.2 3,-0.3 -0.133 37.8-106.3 -70.2 163.4 32.4 13.6 21.0 984 463 B L H > S+ 0 0 1 38,-3.1 4,-2.4 1,-0.2 5,-0.1 0.913 120.7 51.0 -47.3 -51.0 28.9 14.4 19.7 985 464 B N H > S+ 0 0 1 37,-0.4 4,-2.0 34,-0.3 -1,-0.2 0.801 106.2 54.1 -66.8 -27.6 27.8 10.8 20.0 986 465 B E H > S+ 0 0 27 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.945 111.6 46.2 -67.3 -47.1 29.1 10.6 23.6 987 466 B Y H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.831 109.7 54.4 -60.7 -38.3 27.0 13.6 24.4 988 467 B R H <>S+ 0 0 8 -4,-2.4 5,-2.6 2,-0.2 3,-0.5 0.933 111.0 44.9 -63.1 -44.1 24.0 12.2 22.6 989 468 B K H ><5S+ 0 0 72 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.894 106.4 59.5 -66.6 -38.2 24.1 8.9 24.6 990 469 B R H 3<5S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.9 45.5 -58.3 -27.8 24.6 10.9 27.9 991 470 B F T 3<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 -0.034 125.8 -98.5-109.1 27.9 21.2 12.5 27.1 992 471 B S T < 5S+ 0 0 69 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.766 80.4 130.5 65.4 32.9 19.4 9.3 26.1 993 472 B L < - 0 0 10 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.1 -0.864 62.4-108.3-115.5 150.1 19.7 9.6 22.3 994 473 B K - 0 0 179 -2,-0.3 3,-0.1 1,-0.1 -5,-0.0 -0.552 41.3-109.9 -72.1 135.1 20.9 7.1 19.8 995 474 B P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.357 36.5-103.1 -59.6 147.8 24.4 7.9 18.4 996 475 B Y - 0 0 18 23,-0.1 -11,-0.1 1,-0.1 3,-0.1 -0.583 24.5-155.3 -70.6 133.8 24.4 9.0 14.7 997 476 B T S S+ 0 0 106 -2,-0.3 2,-0.3 1,-0.1 22,-0.2 0.590 71.9 5.5 -90.0 -13.3 25.6 6.2 12.4 998 477 B S S > S- 0 0 44 21,-0.1 4,-1.6 20,-0.1 -1,-0.1 -0.974 71.4-109.5-159.3 165.0 26.8 8.4 9.6 999 478 B F H > S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.817 117.8 60.5 -70.7 -30.5 27.3 12.1 8.6 1000 479 B E H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.908 103.2 49.7 -59.4 -42.5 24.4 11.8 6.2 1001 480 B E H 4 S+ 0 0 98 1,-0.2 -2,-0.2 2,-0.2 31,-0.2 0.923 112.5 49.7 -63.5 -41.6 22.1 10.9 9.1 1002 481 B L H < S+ 0 0 0 -4,-1.6 30,-2.9 1,-0.2 -2,-0.2 0.927 121.1 30.3 -60.4 -51.7 23.4 13.9 11.0 1003 482 B T H < S- 0 0 9 -4,-2.5 -2,-0.2 28,-0.2 -1,-0.2 0.790 89.7-141.1 -85.6 -28.5 23.0 16.6 8.2 1004 483 B G S < S+ 0 0 43 -4,-2.6 2,-0.2 1,-0.4 -3,-0.1 0.581 77.6 76.1 82.2 15.6 20.0 15.0 6.5 1005 484 B E S S- 0 0 57 -5,-0.4 -1,-0.4 -6,-0.2 -2,-0.2 -0.771 78.5-127.1-155.3 170.5 21.6 16.0 3.3 1006 485 B K S > S+ 0 0 144 -2,-0.2 4,-1.7 -3,-0.1 -1,-0.1 0.809 90.2 56.1-110.0 -34.8 24.6 14.9 1.0 1007 486 B E H > S+ 0 0 117 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.880 112.5 40.0 -73.9 -42.0 27.0 17.8 0.3 1008 487 B M H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.889 110.6 60.0 -73.6 -38.0 27.9 18.8 3.8 1009 488 B A H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.929 105.1 49.6 -55.0 -44.6 28.0 15.2 4.9 1010 489 B A H X S+ 0 0 61 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.843 109.0 50.7 -65.3 -37.9 30.8 14.6 2.4 1011 490 B E H X S+ 0 0 59 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.956 113.4 46.8 -60.8 -49.3 32.8 17.6 3.6 1012 491 B L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.5 0.871 109.8 51.4 -62.2 -41.5 32.5 16.3 7.1 1013 492 B K H X S+ 0 0 124 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.868 110.6 50.2 -63.6 -34.0 33.4 12.7 6.2 1014 493 B A H < S+ 0 0 83 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.810 118.1 40.0 -73.7 -27.7 36.5 14.1 4.5 1015 494 B L H < S+ 0 0 18 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.896 130.3 21.7 -83.0 -46.7 37.4 16.2 7.5 1016 495 B Y H < S- 0 0 4 -4,-3.2 2,-2.2 -5,-0.1 -327,-0.3 0.654 75.2-158.8-102.4 -22.7 36.6 13.8 10.5 1017 496 B S S < S+ 0 0 54 -4,-1.4 2,-0.4 -5,-0.5 -1,-0.1 -0.210 73.8 54.5 71.4 -48.2 36.7 10.2 8.9 1018 497 B D S > S- 0 0 51 -2,-2.2 3,-1.6 1,-0.1 4,-0.1 -0.961 71.0-144.6-125.8 132.9 34.6 8.7 11.7 1019 498 B I G > S+ 0 0 16 -2,-0.4 3,-1.6 1,-0.3 -34,-0.3 0.829 99.9 66.2 -63.0 -30.7 31.1 9.9 12.9 1020 499 B D G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -23,-0.1 -37,-0.2 0.472 100.9 49.3 -74.0 -0.3 32.1 8.9 16.4 1021 500 B V G < S+ 0 0 3 -3,-1.6 -1,-0.3 -38,-0.1 -2,-0.2 0.295 79.2 124.8-116.3 8.5 34.8 11.7 16.5 1022 501 B M < - 0 0 0 -3,-1.6 -38,-3.1 -4,-0.1 -37,-0.4 -0.463 63.9-118.3 -67.5 136.6 32.5 14.4 15.2 1023 502 B E > - 0 0 7 -40,-0.2 4,-1.2 -2,-0.1 -40,-0.1 -0.473 9.8-126.0 -83.5 154.2 32.6 17.4 17.6 1024 503 B L H > S+ 0 0 3 -42,-0.5 4,-2.1 2,-0.2 -1,-0.1 0.924 99.2 49.1 -62.1 -54.3 29.5 18.7 19.5 1025 504 B Y H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.932 113.0 42.1 -63.9 -52.5 29.5 22.4 18.6 1026 505 B P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.916 113.3 57.5 -59.3 -35.6 29.9 22.2 14.8 1027 506 B A H >X S+ 0 0 1 -4,-1.2 4,-1.3 1,-0.3 3,-0.5 0.898 100.2 55.5 -62.4 -42.1 27.4 19.4 14.8 1028 507 B L H 3< S+ 0 0 1 -4,-2.1 12,-0.3 1,-0.2 -1,-0.3 0.842 111.1 46.2 -56.7 -33.8 24.8 21.5 16.5 1029 508 B L H 3< S+ 0 0 4 -4,-1.3 -71,-2.7 -3,-0.5 -1,-0.2 0.684 118.8 39.1 -85.6 -18.6 25.1 24.1 13.7 1030 509 B V H << S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.414 88.1 125.7-105.7 -3.0 25.0 21.5 10.8 1031 510 B E S < S- 0 0 0 -4,-1.3 -74,-1.5 -5,-0.2 -28,-0.2 -0.229 74.3 -98.4 -65.2 143.5 22.4 19.2 12.2 1032 511 B K - 0 0 123 -30,-2.9 9,-0.5 -31,-0.2 -1,-0.1 -0.453 48.1-131.7 -52.9 118.5 19.2 18.3 10.3 1033 512 B P B -I 1040 0i 24 0, 0.0 7,-0.3 0, 0.0 3,-0.1 -0.405 21.6 -98.5 -74.1 157.0 16.7 20.7 11.8 1034 513 B H S > S- 0 0 23 5,-2.3 3,-2.4 1,-0.2 2,-0.2 -0.292 71.9 -61.9 -59.6 161.7 13.2 19.5 12.9 1035 514 B P T 3 S- 0 0 110 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.335 121.1 -13.7 -59.8 118.5 10.7 20.2 10.2 1036 515 B D T 3 S+ 0 0 127 1,-0.2 2,-0.2 -2,-0.2 -2,-0.1 0.690 111.0 136.7 61.9 21.2 10.5 24.0 9.6 1037 516 B A < - 0 0 14 -3,-2.4 -1,-0.2 2,-0.1 -81,-0.1 -0.601 64.0-134.7-100.6 159.3 12.4 24.4 12.9 1038 517 B I S S+ 0 0 1 -165,-0.2 -82,-2.5 -2,-0.2 -83,-0.9 0.778 89.3 36.2 -71.8 -29.4 15.3 26.6 14.0 1039 518 B F S S- 0 0 13 -166,-0.2 -5,-2.3 -84,-0.2 2,-0.2 -0.805 72.0-128.3-125.5 165.2 17.1 23.7 15.7 1040 519 B G B > -I 1033 0i 0 -7,-0.3 4,-1.4 -12,-0.3 3,-0.5 -0.426 43.6 -87.3-100.3-178.2 17.8 20.0 15.4 1041 520 B E H > S+ 0 0 40 -9,-0.5 4,-2.7 1,-0.2 5,-0.2 0.825 119.6 56.7 -62.6 -39.0 17.3 17.3 18.0 1042 521 B T H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.848 106.2 50.7 -67.1 -33.4 20.6 17.4 19.8 1043 522 B M H > S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.908 114.6 44.0 -69.4 -42.6 20.2 21.1 20.6 1044 523 B V H X S+ 0 0 32 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.924 114.1 47.6 -67.0 -48.6 16.7 20.5 22.1 1045 524 B E H < S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 121.0 37.2 -70.9 -28.4 17.6 17.4 24.0 1046 525 B L H X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 -2,-0.2 0.877 118.9 49.0 -83.4 -45.7 20.7 18.9 25.6 1047 526 B G H X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.905 101.6 59.4 -61.3 -48.3 19.3 22.4 26.0 1048 527 B A H X S+ 0 0 30 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.865 104.6 46.2 -59.2 -46.3 16.0 21.7 27.7 1049 528 B P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.921 113.6 50.0 -65.3 -37.7 17.2 19.9 30.9 1050 529 B F H X S+ 0 0 12 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.899 113.7 47.8 -60.6 -37.5 19.9 22.5 31.4 1051 530 B S H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.891 107.9 53.4 -69.0 -44.8 17.2 25.2 31.0 1052 531 B L H X>S+ 0 0 18 -4,-2.6 4,-3.0 1,-0.2 5,-0.6 0.921 110.3 48.2 -56.0 -48.6 14.7 23.5 33.4 1053 532 B K H X5S+ 0 0 11 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.902 111.7 47.9 -63.5 -43.4 17.3 23.3 36.1 1054 533 B G H <5S+ 0 0 12 -4,-1.8 -305,-0.6 -5,-0.2 4,-0.2 0.844 120.6 38.8 -68.9 -29.5 18.4 27.0 35.8 1055 534 B L H ><5S+ 0 0 7 -4,-2.1 3,-0.6 -5,-0.1 -2,-0.2 0.956 126.6 28.6 -86.3 -55.0 14.8 28.1 35.8 1056 535 B M H 3<5S+ 0 0 3 -4,-3.0 -3,-0.2 1,-0.2 5,-0.2 0.727 109.9 70.3 -80.3 -24.3 13.0 26.0 38.3 1057 536 B G T 3< S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 6,-0.4 0.800 107.3 69.1 -59.0 -28.4 15.3 29.4 45.3 1060 539 B I G 3 S+ 0 0 0 1,-0.3 -2,-0.1 5,-0.1 -3,-0.1 0.651 95.5 56.6 -63.3 -14.8 12.2 31.7 44.6 1061 540 B C G < S+ 0 0 0 -3,-2.3 -1,-0.3 -5,-0.2 -174,-0.1 0.352 86.2 102.2 -93.0 0.6 10.5 28.5 43.2 1062 541 B S S X> S- 0 0 2 -3,-2.0 4,-2.5 -4,-0.2 3,-1.5 -0.560 87.5-108.8 -86.9 153.6 10.9 26.6 46.4 1063 542 B P T 34 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -178,-0.0 0.798 116.7 54.1 -55.3 -34.0 7.9 26.2 48.8 1064 543 B Q T 34 S+ 0 0 38 1,-0.2 3,-0.1 -969,-0.1 -4,-0.1 0.751 118.1 35.7 -76.8 -18.3 9.3 28.6 51.4 1065 544 B Y T <4 S+ 0 0 0 -3,-1.5 2,-2.5 -6,-0.4 5,-0.3 0.763 94.5 85.8 -96.0 -29.7 9.8 31.3 48.9 1066 545 B W < + 0 0 6 -4,-2.5 -1,-0.1 -7,-0.2 -5,-0.1 -0.393 68.5 106.4 -82.2 71.7 6.7 30.8 46.6 1067 546 B K S >> S- 0 0 2 -2,-2.5 3,-1.0 -3,-0.1 4,-0.6 -0.960 80.0-115.5-144.8 150.7 4.3 32.8 48.8 1068 547 B P G >4>S+ 0 0 14 0, 0.0 5,-2.9 0, 0.0 3,-0.9 0.809 111.2 64.2 -65.8 -25.3 2.8 36.3 48.2 1069 548 B S G >45S+ 0 0 21 1,-0.3 3,-1.0 3,-0.2 -963,-0.1 0.762 91.8 63.0 -68.4 -28.9 4.6 37.7 51.3 1070 549 B T G <45S+ 0 0 6 -3,-1.0 -1,-0.3 -5,-0.3 -215,-0.1 0.780 108.9 43.1 -59.8 -29.4 8.0 37.1 49.7 1071 550 B F G <<5S- 0 0 0 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.112 130.3 -86.1-111.5 18.0 7.0 39.6 47.0 1072 551 B G T < 5S- 0 0 5 -3,-1.0 3,-0.2 4,-0.1 -3,-0.2 0.587 83.6 -64.6 91.4 10.1 5.3 42.3 49.1 1073 552 B G S > S+ 0 0 136 1,-0.2 4,-2.1 -2,-0.2 -1,-0.2 0.813 130.7 55.3 -59.6 -35.3 -0.8 39.8 46.5 1075 554 B V H > S+ 0 0 60 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 110.8 43.5 -66.1 -43.9 0.0 42.7 44.2 1076 555 B G H > S+ 0 0 1 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.878 112.8 52.5 -68.2 -37.8 3.7 41.9 43.9 1077 556 B F H X S+ 0 0 29 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 107.5 53.4 -63.2 -40.0 2.9 38.2 43.4 1078 557 B K H X S+ 0 0 141 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.845 99.8 60.3 -67.7 -33.3 0.5 39.1 40.6 1079 558 B I H < S+ 0 0 20 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.947 109.7 44.7 -57.2 -46.3 3.2 41.2 38.8 1080 559 B I H >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.964 113.0 49.3 -57.3 -52.0 5.2 37.9 38.6 1081 560 B N H 3< S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.576 116.9 39.7 -75.7 -7.1 2.2 35.8 37.5 1082 561 B T T 3< S+ 0 0 83 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.105 84.5 127.9-121.5 16.0 1.0 38.1 34.7 1083 562 B A < + 0 0 7 -3,-1.5 2,-0.3 -4,-0.2 3,-0.1 -0.481 27.7 161.7 -75.5 145.1 4.4 39.1 33.3 1084 563 B S > - 0 0 33 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.967 53.3-104.0-152.0 167.1 5.0 38.7 29.6 1085 564 B I H > S+ 0 0 6 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.893 122.5 50.4 -60.5 -37.6 7.4 40.0 26.9 1086 565 B Q H > S+ 0 0 63 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.947 110.6 46.9 -65.1 -47.9 4.6 42.3 25.7 1087 566 B S H > S+ 0 0 30 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.874 108.9 55.4 -67.4 -38.7 3.8 43.7 29.1 1088 567 B L H X S+ 0 0 2 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.915 116.6 37.3 -53.1 -47.5 7.4 44.3 29.9 1089 568 B I H >X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 3,-0.8 0.929 117.3 51.5 -72.3 -45.3 7.7 46.4 26.7 1090 569 B j H 3< S+ 0 0 48 -4,-3.7 3,-0.3 1,-0.2 6,-0.3 0.921 111.6 46.0 -60.5 -46.8 4.3 47.9 27.1 1091 570 B N H 3< S+ 0 0 78 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.648 125.2 29.4 -68.9 -16.9 4.9 49.1 30.7 1092 571 B N H << S+ 0 0 15 -3,-0.8 2,-0.4 -4,-0.6 -1,-0.2 0.412 103.5 74.3-129.3 -2.8 8.3 50.6 30.0 1093 572 B V S >< S- 0 0 5 -4,-1.7 3,-2.2 -3,-0.3 -1,-0.1 -0.985 85.7-104.2-127.4 125.0 8.5 51.8 26.4 1094 573 B K T 3 S+ 0 0 146 -2,-0.4 -2,-0.1 1,-0.3 -3,-0.1 -0.139 103.1 12.3 -51.0 131.4 6.8 55.0 25.2 1095 574 B G T 3 S- 0 0 73 1,-0.2 -1,-0.3 -5,-0.1 -5,-0.1 0.408 104.3-107.5 81.2 -1.5 3.6 54.3 23.1 1096 575 B j < - 0 0 57 -3,-2.2 -1,-0.2 -6,-0.3 -6,-0.2 0.935 43.6-155.8 43.9 66.2 3.4 50.6 24.1 1097 576 B P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.446 22.5-100.7 -67.8 149.4 4.5 49.2 20.7 1098 577 B F + 0 0 146 -2,-0.1 2,-0.3 -9,-0.1 -150,-0.1 -0.399 52.1 171.1 -63.6 142.1 3.3 45.7 19.8 1099 578 B T + 0 0 5 -2,-0.1 2,-0.3 -3,-0.1 -13,-0.1 -0.980 16.1 146.9-152.5 165.0 6.0 43.0 20.3 1100 579 B S - 0 0 22 -2,-0.3 -382,-0.2 -15,-0.1 -381,-0.1 -0.933 55.8 -92.1-171.9-174.1 6.7 39.3 20.4 1101 580 B F S S+ 0 0 6 -2,-0.3 -385,-1.7 -383,-0.1 2,-0.3 0.491 101.6 63.5 -95.8 -4.2 9.4 36.8 19.5 1102 581 B N B B 715 0b 77 -387,-0.2 -387,-0.2 -384,-0.1 -388,-0.1 -0.878 360.0 360.0-117.5 157.0 8.2 36.1 16.0 1103 582 B V 0 0 87 -389,-2.1 -154,-0.2 -2,-0.3 -153,-0.1 -0.220 360.0 360.0 -69.8 360.0 7.9 38.4 12.9