==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-JUN-10 3NJB . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 581 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.8 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 . 2 0.3 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 . 24 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 2 6 0 2 2 0 0 0 4 0 5 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 2 0 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 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 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 8 A V 0 0 101 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 132.7 39.8 66.7 14.6 2 9 A D > - 0 0 90 3,-0.4 3,-2.0 1,-0.1 36,-0.0 -0.926 360.0-157.1-113.1 108.5 42.2 69.1 12.8 3 10 A F T 3 S+ 0 0 90 -2,-0.6 3,-0.4 1,-0.3 8,-0.2 0.676 96.5 54.0 -62.2 -16.2 45.8 68.9 14.1 4 11 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -3,-0.0 2,-0.0 0.593 115.1 38.4 -92.0 -12.7 46.3 72.4 12.8 5 12 A N S < S+ 0 0 108 -3,-2.0 -3,-0.4 0, 0.0 2,-0.3 -0.499 74.5 166.6-135.2 67.0 43.3 73.9 14.7 6 13 A L - 0 0 38 -3,-0.4 -3,-0.1 1,-0.1 5,-0.0 -0.632 15.5-169.6 -77.5 138.7 43.2 72.2 18.1 7 14 A K S S+ 0 0 127 -2,-0.3 -1,-0.1 27,-0.1 3,-0.1 0.728 76.4 28.1-103.0 -30.8 40.9 74.0 20.5 8 15 A T S S+ 0 0 6 1,-0.2 15,-2.9 26,-0.1 2,-0.3 0.582 120.1 8.8-114.7 -13.7 41.6 72.4 23.9 9 16 A M E -A 22 0A 2 13,-0.3 2,-0.3 14,-0.2 13,-0.2 -0.966 62.2-119.6-160.5 167.6 45.2 71.2 23.9 10 17 A T E -A 21 0A 42 11,-2.2 11,-2.0 -2,-0.3 2,-0.4 -0.809 15.0-148.5-115.0 160.0 48.5 71.2 22.1 11 18 A Y E +A 20 0A 34 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 23.9 157.9-129.4 131.8 50.6 68.4 20.6 12 19 A E E -A 19 0A 117 7,-1.3 7,-3.5 -2,-0.4 2,-0.6 -0.940 26.0-150.0-153.6 134.1 54.4 68.4 20.4 13 20 A V E -A 18 0A 50 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.918 14.1-176.4-106.9 122.9 57.0 65.6 20.1 14 21 A T E > -A 17 0A 40 3,-2.7 3,-2.2 -2,-0.6 2,-0.6 -0.961 66.4 -46.8-123.3 112.4 60.4 66.3 21.6 15 22 A D T 3 S- 0 0 157 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.551 126.6 -22.8 65.9-109.9 62.9 63.5 21.0 16 23 A R T 3 S+ 0 0 112 -2,-0.6 37,-2.7 36,-0.1 38,-1.5 0.302 116.9 99.5-113.5 12.8 60.7 60.5 22.0 17 24 A V E < -Ab 14 54A 7 -3,-2.2 -3,-2.7 35,-0.2 2,-0.7 -0.874 56.8-155.6-107.6 120.3 58.2 62.2 24.2 18 25 A A E -Ab 13 55A 0 36,-3.0 38,-2.8 -2,-0.5 2,-0.7 -0.866 16.3-156.5 -90.8 113.8 54.7 63.1 22.8 19 26 A R E -Ab 12 56A 48 -7,-3.5 -7,-1.3 -2,-0.7 2,-0.6 -0.826 12.2-173.8 -98.0 114.6 53.5 66.0 25.0 20 27 A I E -Ab 11 57A 0 36,-2.5 38,-1.9 -2,-0.7 2,-0.5 -0.957 15.3-176.7-106.2 116.8 49.8 66.5 25.1 21 28 A T E -Ab 10 58A 21 -11,-2.0 -11,-2.2 -2,-0.6 38,-0.2 -0.954 26.4-123.6-129.8 115.0 49.2 69.7 27.0 22 29 A F E -Ab 9 59A 5 36,-2.8 38,-1.4 -2,-0.5 -13,-0.3 -0.285 21.7-164.2 -57.7 142.2 45.8 71.2 28.0 23 30 A N + 0 0 70 -15,-2.9 -14,-0.2 1,-0.1 -1,-0.1 -0.151 62.4 84.2-131.0 36.4 45.5 74.7 26.7 24 31 A R > > + 0 0 41 -16,-0.2 5,-2.8 36,-0.1 3,-2.0 -0.384 40.2 150.0-129.0 56.0 42.5 76.3 28.5 25 32 A P G > 5 + 0 0 45 0, 0.0 3,-1.6 0, 0.0 37,-0.3 0.811 68.7 65.1 -61.1 -32.5 44.2 77.6 31.7 26 33 A E G 3 5S+ 0 0 140 1,-0.3 -2,-0.0 2,-0.1 35,-0.0 0.690 110.8 38.7 -59.6 -21.5 41.8 80.5 32.0 27 34 A K G X 5S- 0 0 124 -3,-2.0 3,-1.2 3,-0.1 -1,-0.3 0.059 121.8-102.8-112.8 17.9 39.1 77.9 32.5 28 35 A G T < 5 - 0 0 8 -3,-1.6 38,-2.0 1,-0.2 39,-0.3 0.784 68.5 -72.7 63.4 28.4 41.1 75.4 34.7 29 36 A N T 3 - 0 0 38 -2,-0.4 3,-1.6 36,-0.1 -24,-0.0 -0.708 50.4 -83.7-120.1 177.6 34.4 70.5 26.9 33 40 A A T 3> S+ 0 0 49 1,-0.3 4,-0.6 -2,-0.2 -2,-0.0 0.849 127.5 49.7 -52.3 -39.4 32.9 68.4 23.9 34 41 A D H 3> S+ 0 0 48 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.695 90.0 82.2 -75.0 -19.6 36.2 68.6 22.0 35 42 A T H <> S+ 0 0 6 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.926 95.1 41.1 -55.5 -52.8 38.4 67.4 24.9 36 43 A P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.845 116.3 51.3 -65.2 -32.8 37.9 63.7 24.5 37 44 A L H X S+ 0 0 59 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.928 114.0 42.0 -69.5 -46.1 38.0 63.9 20.7 38 45 A E H X S+ 0 0 3 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.938 115.1 51.3 -67.9 -41.8 41.3 65.8 20.7 39 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.941 112.9 44.0 -60.5 -49.6 42.8 63.6 23.5 40 47 A S H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.878 114.6 49.5 -64.9 -39.9 41.9 60.3 21.7 41 48 A A H X S+ 0 0 24 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 112.9 46.8 -63.9 -42.9 43.1 61.6 18.3 42 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.866 110.7 51.9 -71.6 -36.4 46.4 62.8 19.7 43 50 A V H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.930 111.0 47.8 -63.2 -45.9 47.0 59.6 21.6 44 51 A E H X S+ 0 0 43 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 110.3 52.8 -59.5 -44.8 46.4 57.5 18.4 45 52 A R H X S+ 0 0 97 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.930 111.5 46.1 -54.9 -46.0 48.8 59.9 16.5 46 53 A A H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 6,-0.3 0.931 109.6 54.6 -64.0 -46.9 51.4 59.3 19.2 47 54 A D H 3< S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 111.1 46.0 -50.9 -39.3 50.8 55.5 19.1 48 55 A L H 3< S+ 0 0 19 -4,-2.1 321,-2.4 -5,-0.2 322,-0.2 0.624 90.3 92.7 -87.9 -13.1 51.4 55.4 15.3 49 56 A D X< - 0 0 39 -4,-0.9 3,-2.1 -3,-0.8 319,-0.2 -0.713 62.4-156.8 -84.1 112.5 54.6 57.6 15.3 50 57 A P T 3 S+ 0 0 64 0, 0.0 169,-0.2 0, 0.0 -1,-0.2 0.699 92.3 61.2 -67.1 -14.6 57.6 55.2 15.5 51 58 A D T 3 S+ 0 0 110 168,-0.0 2,-0.5 -3,-0.0 -5,-0.1 0.521 90.3 84.7 -84.3 -5.5 59.7 58.1 16.9 52 59 A V < + 0 0 0 -3,-2.1 -35,-0.2 -6,-0.3 -36,-0.1 -0.855 41.6 163.0 -98.7 130.1 57.3 58.3 20.0 53 60 A H + 0 0 18 -37,-2.7 2,-0.3 -2,-0.5 -36,-0.2 0.569 66.7 23.8-112.3 -20.4 58.0 56.0 22.9 54 61 A V E -b 17 0A 0 -38,-1.5 -36,-3.0 62,-0.1 2,-0.5 -0.993 62.3-140.6-152.5 148.5 56.0 57.8 25.7 55 62 A I E -bc 18 118A 0 62,-2.2 64,-3.1 -2,-0.3 2,-0.5 -0.956 13.9-164.2-116.2 125.9 53.0 60.2 26.0 56 63 A L E -bc 19 119A 4 -38,-2.8 -36,-2.5 -2,-0.5 2,-0.5 -0.953 5.2-166.7-115.6 115.7 53.1 62.9 28.7 57 64 A V E +bc 20 120A 0 62,-3.5 64,-2.2 -2,-0.5 2,-0.3 -0.877 22.0 145.1-107.2 130.2 49.8 64.6 29.5 58 65 A S E -b 21 0A 10 -38,-1.9 -36,-2.8 -2,-0.5 2,-0.4 -0.940 36.1-120.8-151.6 173.0 49.7 67.8 31.5 59 66 A G E -b 22 0A 5 62,-0.4 -36,-0.1 -2,-0.3 2,-0.1 -0.938 15.7-132.5-122.6 146.6 47.9 71.1 31.9 60 67 A R S > S+ 0 0 90 -38,-1.4 3,-0.6 -2,-0.4 2,-0.2 -0.384 70.3 31.5 -80.5 167.5 48.8 74.7 31.6 61 68 A G T 3 S- 0 0 38 1,-0.2 -35,-0.1 -2,-0.1 -2,-0.1 -0.505 118.7 -28.3 87.1-149.0 47.9 77.3 34.2 62 69 A E T 3 S+ 0 0 145 -37,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.550 121.2 8.0 -84.6 -13.4 47.4 76.7 37.9 63 70 A G S < S- 0 0 0 -3,-0.6 61,-0.2 61,-0.2 3,-0.2 -0.989 70.1-105.2-162.1 169.3 46.3 73.1 37.7 64 71 A F S S- 0 0 0 59,-1.5 2,-0.3 61,-1.3 62,-0.2 0.970 92.9 -26.5 -64.0 -60.3 45.9 70.0 35.7 65 72 A C B -g 126 0C 0 60,-1.4 62,-1.8 -6,-0.1 -1,-0.2 -0.899 38.7-158.2-165.2 128.5 42.1 69.9 35.3 66 73 A A - 0 0 45 -38,-2.0 63,-0.3 1,-0.3 2,-0.2 0.425 54.5-114.5 -88.8 -1.4 39.1 71.3 37.3 67 74 A G + 0 0 1 -39,-0.3 -36,-2.3 -38,-0.2 -1,-0.3 -0.683 64.5 1.4 106.6-161.1 36.6 68.9 35.8 68 75 A F B f 31 0B 42 -2,-0.2 -36,-0.1 -38,-0.2 -38,-0.1 -0.466 360.0 360.0 -74.5 138.2 33.6 69.4 33.5 69 76 A D 0 0 87 -38,-2.0 -1,-0.1 -2,-0.2 -37,-0.0 0.200 360.0 360.0 -56.1 360.0 32.6 72.9 32.3 70 ! 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 71 92 A P 0 0 148 0, 0.0 7,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.7 28.6 68.8 14.2 72 93 A Y > + 0 0 73 5,-0.1 3,-2.3 3,-0.1 6,-0.4 0.294 360.0 136.0 -99.8 8.0 26.2 66.9 16.5 73 94 A E T 3 S+ 0 0 92 1,-0.3 3,-0.1 4,-0.1 4,-0.1 -0.291 76.4 14.5 -56.3 136.8 23.0 68.4 15.0 74 95 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 2,-0.3 0.610 109.6 105.3 68.6 10.3 20.4 65.8 14.4 75 96 A T S X S- 0 0 27 -3,-2.3 3,-2.0 267,-0.1 -1,-0.3 -0.780 88.2-106.4-110.8 167.4 22.3 63.3 16.6 76 97 A V T 3 S+ 0 0 6 265,-2.4 24,-0.1 1,-0.3 266,-0.1 0.737 121.0 58.8 -59.3 -24.0 21.6 62.0 20.1 77 98 A L T 3 S+ 0 0 19 264,-0.2 -1,-0.3 -5,-0.1 -5,-0.1 0.416 76.5 128.8 -87.2 0.5 24.5 64.2 21.2 78 99 A S <> - 0 0 13 -3,-2.0 4,-2.6 -6,-0.4 5,-0.2 -0.175 68.8-121.6 -56.9 152.5 23.0 67.5 19.9 79 100 A G H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 115.1 51.0 -61.0 -40.7 23.0 70.5 22.3 80 101 A K H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 111.1 45.8 -62.5 -46.0 19.2 70.6 21.9 81 102 A T H > S+ 0 0 54 -6,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.943 116.2 46.0 -64.3 -44.2 18.7 66.9 22.6 82 103 A Q H < S+ 0 0 20 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.870 112.7 48.7 -70.7 -37.8 21.0 66.9 25.6 83 104 A A H >< S+ 0 0 66 -4,-2.3 3,-1.9 1,-0.2 4,-0.2 0.920 109.1 53.0 -70.1 -43.2 19.5 70.1 27.2 84 105 A L H >< S+ 0 0 62 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.855 104.3 59.2 -53.5 -33.5 16.0 68.8 26.7 85 106 A N T 3< S+ 0 0 15 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.478 101.1 55.3 -77.9 -0.7 17.3 65.7 28.6 86 107 A H T < S+ 0 0 48 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.233 73.6 120.0-115.2 9.8 18.2 67.9 31.7 87 108 A L < - 0 0 84 -3,-1.1 3,-0.4 -4,-0.2 172,-0.0 -0.562 55.1-148.7 -69.6 138.1 14.8 69.5 32.2 88 109 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.839 83.7 57.3 -79.4 -34.9 13.6 68.5 35.8 89 110 A D S S+ 0 0 160 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.013 101.1 60.0 -99.4 30.8 9.8 68.4 35.5 90 111 A E S S- 0 0 127 -3,-0.4 2,-0.1 -5,-0.0 0, 0.0 -0.973 98.7 -86.7-144.7 150.3 9.6 65.7 32.7 91 112 A P - 0 0 128 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.406 46.9-147.7 -59.9 130.0 10.9 62.1 32.6 92 113 A W - 0 0 69 -2,-0.1 -7,-0.1 -4,-0.1 -6,-0.1 -0.503 10.0-122.5 -94.8 169.3 14.5 62.1 31.4 93 114 A D > - 0 0 35 -8,-0.2 4,-1.8 -2,-0.2 3,-0.4 -0.913 15.4-167.1-117.0 103.2 16.2 59.3 29.4 94 115 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.765 89.2 55.4 -64.4 -22.6 19.2 57.8 31.1 95 116 A M H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.831 103.1 53.7 -79.3 -32.4 20.4 56.1 27.9 96 117 A V H > S+ 0 0 27 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.899 114.0 45.2 -60.0 -40.6 20.4 59.4 26.0 97 118 A D H X S+ 0 0 2 -4,-1.8 4,-3.1 2,-0.2 3,-0.3 0.932 110.2 53.2 -66.4 -46.5 22.6 60.6 28.8 98 119 A Y H X S+ 0 0 27 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.908 104.2 55.7 -56.2 -43.3 24.8 57.4 28.8 99 120 A Q H < S+ 0 0 6 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.870 114.8 40.7 -60.2 -35.8 25.4 57.8 25.0 100 121 A M H >X S+ 0 0 30 -4,-1.2 4,-1.0 -3,-0.3 3,-0.9 0.964 119.9 40.4 -73.4 -54.2 26.8 61.3 25.7 101 122 A M H 3X S+ 0 0 8 -4,-3.1 4,-2.1 1,-0.3 3,-0.5 0.874 108.8 59.4 -72.1 -35.5 28.8 60.6 29.0 102 123 A S H 3X S+ 0 0 17 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.3 0.766 101.5 56.6 -60.3 -27.8 30.2 57.2 27.9 103 124 A R H <> S+ 0 0 20 -3,-0.9 4,-1.7 -4,-0.4 -1,-0.2 0.811 104.4 51.4 -78.7 -27.1 31.9 59.0 24.9 104 125 A F H X S+ 0 0 26 -4,-1.0 4,-2.2 -3,-0.5 -2,-0.2 0.959 113.5 45.2 -61.2 -50.1 33.7 61.4 27.2 105 126 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.892 109.0 56.0 -64.8 -37.6 34.9 58.4 29.2 106 127 A R H < S+ 0 0 125 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.900 107.8 48.7 -60.3 -43.0 35.8 56.6 26.0 107 128 A G H >< S+ 0 0 5 -4,-1.7 3,-1.0 1,-0.2 4,-0.2 0.918 112.7 47.5 -61.0 -44.8 38.0 59.5 24.9 108 129 A F H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.851 102.7 64.6 -64.6 -34.8 39.7 59.5 28.3 109 130 A A T >X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.3 3,-1.1 0.569 77.1 85.9 -69.6 -9.0 40.2 55.7 28.3 110 131 A S H <> S+ 0 0 20 -3,-1.0 4,-1.7 -4,-0.4 -1,-0.3 0.851 82.0 61.3 -60.6 -29.8 42.5 56.1 25.3 111 132 A L H <4 S+ 0 0 0 -3,-1.7 27,-0.4 -4,-0.2 -1,-0.2 0.768 111.3 38.7 -67.7 -23.8 45.3 56.7 27.9 112 133 A M H <4 S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.841 122.3 39.0 -87.6 -43.5 44.7 53.2 29.4 113 134 A H H < S+ 0 0 99 -4,-2.4 -2,-0.2 117,-0.0 -3,-0.2 0.565 88.6 108.0 -90.9 -12.5 44.0 51.2 26.2 114 135 A C S < S- 0 0 10 -4,-1.7 4,-0.1 -5,-0.3 -70,-0.1 -0.180 76.5-118.2 -65.4 161.3 46.6 52.8 23.9 115 136 A D S S+ 0 0 10 2,-0.1 111,-0.2 277,-0.0 112,-0.1 0.873 89.8 61.5 -68.1 -38.5 49.7 50.8 22.9 116 137 A K S S- 0 0 2 -73,-0.2 -62,-0.1 1,-0.1 -2,-0.1 -0.485 94.8 -86.4 -98.1 158.6 52.3 53.1 24.4 117 138 A P - 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0 0 1 -21,-2.3 3,-2.2 -2,-0.4 42,-0.3 -0.353 38.3-118.3 -58.6 139.2 53.2 67.8 43.2 144 165 A A T 3 S+ 0 0 27 54,-2.8 42,-2.3 1,-0.3 41,-0.4 0.794 114.1 45.4 -49.2 -36.9 53.3 67.1 46.9 145 166 A D T 3 S+ 0 0 79 53,-0.2 -1,-0.3 40,-0.2 -2,-0.1 0.150 84.7 127.4 -98.1 14.7 50.8 69.9 47.5 146 167 A A < - 0 0 1 -3,-2.2 39,-1.0 -24,-0.1 2,-0.5 -0.342 57.4-130.6 -66.2 153.7 48.3 69.0 44.7 147 168 A K E +hI 125 184C 21 -23,-2.6 -21,-2.7 37,-0.2 2,-0.4 -0.960 31.6 177.9-110.2 120.7 44.6 68.6 45.5 148 169 A I E +hI 126 183C 1 35,-2.5 35,-3.1 -2,-0.5 2,-0.3 -0.983 23.8 76.9-132.9 127.3 43.2 65.3 44.2 149 170 A G E S-hI 127 182C 0 -23,-1.4 -21,-2.0 -2,-0.4 -18,-0.3 -0.986 71.0 -82.6 168.3-169.4 39.7 63.9 44.5 150 171 A Y > + 0 0 7 31,-0.6 3,-1.7 -2,-0.3 4,-0.2 -0.661 36.1 170.6-128.4 77.3 36.0 63.9 43.4 151 172 A P G > + 0 0 5 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.799 68.9 75.2 -57.2 -31.0 34.0 66.6 45.3 152 173 A P G 3 >S+ 0 0 12 0, 0.0 5,-2.0 0, 0.0 3,-0.2 0.525 70.4 85.6 -68.0 -0.6 30.9 66.2 43.2 153 174 A M G < 5S+ 0 0 58 -3,-1.7 3,-0.2 1,-0.2 27,-0.1 0.808 84.8 61.3 -55.4 -29.4 30.1 62.9 45.1 154 175 A R T < 5S- 0 0 56 -3,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.874 130.9 -23.8 -66.0 -38.1 28.6 65.5 47.5 155 176 A V T 5S+ 0 0 29 -4,-0.3 -1,-0.3 -3,-0.2 98,-0.1 -0.851 122.7 24.8-171.9 142.0 26.2 66.5 44.7 156 177 A W T 5S+ 0 0 55 96,-0.5 2,-0.3 -2,-0.3 -3,-0.2 0.287 103.7 48.5 87.6 -3.5 26.0 66.5 40.9 157 178 A G < - 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0 0 28 -4,-1.8 4,-2.0 -5,-0.4 5,-0.3 -0.188 45.2 -66.3 86.1 167.6 41.5 49.5 46.6 170 191 A D H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 126.7 48.5 -60.0 -50.5 38.0 49.3 48.3 171 192 A Q H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 116.7 38.9 -62.0 -51.7 38.8 51.1 51.6 172 193 A R H > S+ 0 0 107 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.860 115.0 52.9 -73.1 -32.8 40.5 54.1 50.2 173 194 A A H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 3,-0.5 0.960 112.7 45.4 -63.5 -49.5 38.2 54.5 47.2 174 195 A K H X S+ 0 0 86 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.876 105.5 61.7 -63.9 -34.9 35.2 54.4 49.6 175 196 A R H < S+ 0 0 87 -4,-2.1 6,-0.4 -5,-0.2 -1,-0.2 0.905 114.6 34.1 -55.3 -39.9 37.0 56.9 51.9 176 197 A L H >X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.5 3,-0.7 0.844 119.8 47.8 -85.1 -36.4 37.0 59.5 49.2 177 198 A L H 3< S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.740 107.6 55.8 -82.1 -20.3 33.8 58.6 47.4 178 199 A F T 3< S+ 0 0 164 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 0.449 125.5 21.7 -82.8 -3.1 31.7 58.5 50.6 179 200 A T T <4 S- 0 0 50 -3,-0.7 -2,-0.2 -5,-0.1 -3,-0.1 0.567 90.9-125.7-133.3 -24.1 32.8 62.1 51.5 180 201 A G < + 0 0 0 -4,-2.5 -3,-0.1 1,-0.2 -4,-0.1 0.606 58.9 153.9 73.6 13.1 33.9 63.9 48.4 181 202 A D - 0 0 20 -5,-0.4 -31,-0.6 -6,-0.4 2,-0.3 -0.343 35.1-140.6 -72.3 151.8 37.2 64.6 50.3 182 203 A C E -I 149 0C 5 -33,-0.2 107,-0.5 -3,-0.1 2,-0.3 -0.779 7.6-143.2-107.4 158.3 40.5 65.2 48.4 183 204 A I E -I 148 0C 4 -35,-3.1 -35,-2.5 -2,-0.3 2,-0.1 -0.823 22.5-107.8-112.5 159.8 43.9 64.0 49.2 184 205 A T E > -I 147 0C 44 -2,-0.3 4,-2.3 -37,-0.2 -37,-0.2 -0.351 31.4-108.7 -75.6 162.6 47.2 65.8 48.8 185 206 A G H > S+ 0 0 0 -39,-1.0 4,-1.9 -41,-0.4 -41,-0.2 0.901 122.2 55.9 -55.6 -41.2 49.8 64.8 46.2 186 207 A A H > S+ 0 0 48 -42,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.934 109.1 45.5 -58.3 -46.0 51.9 63.4 49.0 187 208 A Q H > S+ 0 0 33 -43,-0.3 4,-2.8 1,-0.2 6,-0.2 0.867 106.8 59.3 -67.3 -35.4 49.1 61.2 50.2 188 209 A A H <>S+ 0 0 0 -4,-2.3 6,-2.1 2,-0.2 5,-2.1 0.884 108.3 45.3 -56.4 -40.7 48.4 60.1 46.6 189 210 A A H ><5S+ 0 0 31 -4,-1.9 3,-1.3 4,-0.2 -2,-0.2 0.955 113.0 50.6 -66.3 -49.6 51.9 58.7 46.4 190 211 A E H 3<5S+ 0 0 140 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 113.3 45.2 -54.4 -41.4 51.5 57.1 49.9 191 212 A W T 3<5S- 0 0 34 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.483 117.0-114.9 -82.9 -5.6 48.3 55.4 48.8 192 213 A G T < 5S+ 0 0 51 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.579 86.5 116.9 83.4 7.4 49.8 54.3 45.5 193 214 A L S > - 0 0 90 -56,-0.2 3,-2.0 -55,-0.1 4,-0.7 -0.303 47.5-107.9 -53.0 147.6 57.9 69.1 46.0 200 221 A P G >4 S+ 0 0 60 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.786 120.0 58.2 -59.6 -27.2 56.2 71.4 43.6 201 222 A A G 34 S+ 0 0 89 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.716 113.0 40.1 -70.5 -19.9 59.6 73.1 42.8 202 223 A D G <> S+ 0 0 88 -3,-2.0 4,-2.6 1,-0.1 5,-0.3 0.359 87.9 96.6-105.5 -2.9 61.0 69.7 41.7 203 224 A L H S+ 0 0 97 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.933 114.8 48.3 -60.9 -43.6 58.9 69.3 36.3 205 226 A A H > S+ 0 0 70 1,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.927 114.6 43.8 -63.9 -46.2 62.5 67.9 36.8 206 227 A R H X S+ 0 0 94 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.832 113.5 52.9 -68.3 -32.5 61.4 64.6 38.2 207 228 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.931 109.7 47.2 -65.0 -47.5 58.6 64.3 35.6 208 229 A E H X S+ 0 0 56 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.888 111.8 52.2 -62.3 -39.2 61.2 64.9 32.7 209 230 A R H X S+ 0 0 98 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.952 109.9 48.5 -62.3 -47.1 63.5 62.3 34.4 210 231 A L H X S+ 0 0 25 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.930 114.2 44.1 -58.1 -49.1 60.7 59.8 34.5 211 232 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.854 111.4 54.9 -69.6 -32.6 59.6 60.2 30.9 212 233 A E H X S+ 0 0 124 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.890 108.0 49.1 -61.8 -43.8 63.2 60.2 29.7 213 234 A R H < S+ 0 0 159 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.875 114.9 43.9 -64.0 -41.0 63.8 56.8 31.4 214 235 A I H >< S+ 0 0 27 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.940 111.9 53.5 -67.5 -46.1 60.7 55.3 29.9 215 236 A A H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.724 96.3 68.0 -63.6 -25.0 61.6 56.9 26.5 216 237 A A T 3< S+ 0 0 72 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.594 87.8 88.1 -68.3 -9.8 65.1 55.3 26.7 217 238 A M S < S- 0 0 84 -3,-2.1 -3,-0.0 -4,-0.2 2,-0.0 -0.605 91.7 -97.9 -90.4 150.1 63.4 51.9 26.3 218 239 A P > - 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0 0 32 -4,-1.5 4,-1.9 -5,-0.4 -1,-0.2 0.008 35.6 -87.9 89.8 154.0 27.4 81.0 39.1 270 291 A F H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 122.8 56.7 -69.6 -41.1 29.1 77.6 39.1 271 292 A R H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 111.2 44.7 -57.4 -45.3 32.2 78.8 41.2 272 293 A E H > S+ 0 0 48 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.841 109.7 54.9 -68.8 -35.9 29.9 80.0 43.9 273 294 A A H X S+ 0 0 3 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.908 110.1 48.1 -60.5 -40.6 27.8 76.8 43.8 274 295 A V H X S+ 0 0 35 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.903 109.6 51.9 -64.4 -44.1 31.0 74.9 44.3 275 296 A R H X S+ 0 0 97 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.930 110.7 48.0 -60.2 -43.9 32.1 77.1 47.2 276 297 A R H < S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.783 110.5 52.3 -71.5 -26.9 28.7 76.5 48.9 277 298 A R H < S+ 0 0 39 -4,-1.5 4,-0.2 -5,-0.2 -1,-0.2 0.924 119.9 32.7 -67.2 -46.3 29.0 72.8 48.3 278 299 A D H ><>S+ 0 0 5 -4,-2.4 3,-1.8 1,-0.2 5,-1.1 0.789 99.5 79.4 -89.6 -26.2 32.4 72.5 49.9 279 300 A E G ><5S+ 0 0 87 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.869 88.8 54.3 -56.0 -43.9 32.2 75.2 52.6 280 301 A P G 3 5S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.750 108.8 53.0 -58.8 -21.2 30.2 73.2 55.2 281 302 A M G < 5S- 0 0 110 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.421 109.0-126.6 -94.6 -0.6 33.0 70.5 54.8 282 303 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 -4,-0.5 -4,-0.1 0.691 86.6 95.2 69.2 16.7 35.8 73.0 55.5 283 304 A D < + 0 0 3 -5,-1.1 -4,-0.2 6,-0.1 -1,-0.1 0.105 45.6 140.4-129.1 24.2 37.8 72.1 52.4 284 305 A H > + 0 0 27 -6,-0.3 3,-1.2 -5,-0.1 2,-0.2 -0.320 66.2 0.9 -61.8 147.2 36.6 74.7 49.9 285 306 A G T 3 S- 0 0 58 1,-0.2 -2,-0.0 -11,-0.0 0, 0.0 -0.537 133.9 -27.3 79.5-133.8 39.3 76.2 47.6 286 307 A R T 3 S+ 0 0 124 -2,-0.2 -1,-0.2 -161,-0.0 -2,-0.1 0.184 99.4 130.2-100.7 11.5 42.8 74.8 48.0 287 308 A R < - 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0 0 34 -4,-2.2 4,-2.1 -5,-0.4 5,-0.2 -0.117 45.8 -66.8 83.8 165.2 32.7 27.1 24.8 463 191 B D H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 126.9 48.2 -58.2 -48.3 36.0 25.3 25.1 464 192 B Q H > S+ 0 0 163 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 115.5 40.3 -69.2 -44.8 35.2 22.0 23.4 465 193 B R H > S+ 0 0 109 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.844 114.4 53.4 -75.3 -31.0 33.6 23.2 20.2 466 194 B A H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 3,-0.5 0.968 112.1 45.5 -61.2 -50.8 36.1 26.1 19.8 467 195 B K H X S+ 0 0 86 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.830 105.4 61.5 -62.7 -33.1 39.0 23.6 20.1 468 196 B R H < S+ 0 0 87 -4,-1.7 6,-0.3 -5,-0.2 -1,-0.2 0.901 115.2 33.2 -61.4 -38.4 37.2 21.2 17.7 469 197 B L H >X S+ 0 0 1 -4,-1.4 4,-2.2 -3,-0.5 3,-0.6 0.820 120.5 48.2 -84.8 -36.4 37.3 23.9 15.0 470 198 B L H 3< S+ 0 0 39 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.738 107.6 54.6 -82.5 -20.0 40.6 25.6 15.9 471 199 B F T 3< S+ 0 0 161 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.429 126.0 23.6 -84.4 -2.8 42.6 22.3 16.2 472 200 B T T <4 S- 0 0 46 -3,-0.6 -2,-0.2 2,-0.1 -3,-0.1 0.581 90.3-128.2-131.0 -23.8 41.5 21.4 12.7 473 201 B G < + 0 0 0 -4,-2.2 -3,-0.2 1,-0.2 -4,-0.1 0.612 58.8 152.3 68.8 13.7 40.6 24.5 10.6 474 202 B D - 0 0 15 -5,-0.4 -31,-0.6 -6,-0.3 2,-0.3 -0.382 36.8-137.7 -74.4 155.0 37.4 22.7 9.8 475 203 B C E -R 442 0F 4 -33,-0.2 107,-0.7 -3,-0.1 109,-0.3 -0.822 7.1-144.7-110.5 152.0 34.2 24.6 9.1 476 204 B I E -R 441 0F 3 -35,-2.8 -35,-2.8 -2,-0.3 2,-0.1 -0.768 22.7-111.6-106.2 158.3 30.6 23.9 10.2 477 205 B T E > -R 440 0F 40 -2,-0.3 4,-2.1 -37,-0.2 -37,-0.2 -0.393 32.7-107.9 -77.3 164.9 27.4 24.5 8.3 478 206 B G H > S+ 0 0 0 -39,-0.8 4,-2.1 -42,-0.4 -41,-0.2 0.851 122.0 58.5 -61.3 -36.3 25.0 27.2 9.3 479 207 B A H > S+ 0 0 51 -42,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.921 108.1 44.3 -58.3 -47.2 22.6 24.5 10.6 480 208 B Q H > S+ 0 0 47 -43,-0.3 4,-2.5 1,-0.2 6,-0.2 0.863 107.9 59.2 -67.9 -35.3 25.4 23.3 12.9 481 209 B A H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 6,-1.5 0.893 107.7 46.2 -58.3 -40.7 26.2 26.8 14.0 482 210 B A H ><5S+ 0 0 33 -4,-2.1 3,-1.1 4,-0.2 -2,-0.2 0.936 111.8 50.7 -65.7 -46.4 22.5 27.2 15.2 483 211 B E H 3<5S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.881 114.2 45.4 -56.8 -37.6 22.7 23.8 17.0 484 212 B W T 3<5S- 0 0 48 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.470 116.0-115.8 -87.8 -3.3 26.0 24.9 18.7 485 213 B G T < 5S+ 0 0 53 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.606 85.5 116.9 78.0 13.5 24.6 28.4 19.5 486 214 B L S > - 0 0 101 -56,-0.2 3,-2.1 -55,-0.1 4,-0.7 -0.274 47.5-106.7 -52.0 146.9 17.1 27.5 4.6 493 221 B P G >4 S+ 0 0 72 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.823 120.7 57.3 -54.5 -31.9 18.9 29.8 2.1 494 222 B A G 34 S+ 0 0 98 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.667 113.9 39.8 -70.7 -17.3 15.6 30.6 0.3 495 223 B D G <> S+ 0 0 83 -3,-2.1 4,-2.6 2,-0.1 5,-0.3 0.376 88.2 95.9-108.5 -1.0 14.1 31.9 3.7 496 224 B L H S+ 0 0 94 -4,-0.5 4,-3.1 1,-0.2 5,-0.2 0.944 115.2 45.5 -58.0 -50.3 16.4 37.2 3.9 498 226 B A H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 115.2 46.2 -63.0 -43.3 12.8 37.0 5.1 499 227 B R H X S+ 0 0 91 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.864 113.4 51.1 -68.6 -32.6 13.7 35.6 8.5 500 228 B T H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.955 110.6 47.4 -66.2 -49.3 16.5 38.1 8.8 501 229 B E H X S+ 0 0 72 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.865 111.6 52.3 -58.0 -41.3 14.1 41.0 8.0 502 230 B R H X S+ 0 0 108 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.956 109.9 48.1 -60.4 -46.8 11.7 39.6 10.5 503 231 B L H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.945 113.1 46.1 -61.5 -48.2 14.3 39.4 13.3 504 232 B V H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.816 111.5 52.7 -68.7 -28.6 15.6 43.0 12.7 505 233 B E H X S+ 0 0 55 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.843 107.9 50.5 -70.8 -35.4 12.0 44.4 12.6 506 234 B R H < S+ 0 0 161 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.908 114.6 44.1 -70.0 -38.9 11.2 42.7 15.9 507 235 B I H >< S+ 0 0 25 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.934 112.4 53.0 -64.0 -46.9 14.3 44.2 17.4 508 236 B A H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.673 96.1 68.4 -66.9 -19.8 13.6 47.6 15.8 509 237 B A T 3< S+ 0 0 74 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.513 87.4 86.2 -75.4 -7.2 10.1 47.7 17.2 510 238 B M S < S- 0 0 82 -3,-1.8 2,-0.1 -4,-0.1 -3,-0.0 -0.674 92.7 -96.1 -87.8 151.7 11.6 48.1 20.7 511 239 B P > - 0 0 71 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.378 28.5-126.4 -61.5 140.4 12.5 51.5 22.2 512 240 B V H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.898 109.4 55.7 -52.3 -46.3 16.2 52.5 21.8 513 241 B N H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 108.2 47.9 -58.2 -40.7 16.6 53.1 25.6 514 242 B Q H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.932 113.3 48.3 -62.2 -45.1 15.3 49.5 26.3 515 243 B L H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.893 110.0 50.5 -62.9 -44.0 17.7 48.0 23.7 516 244 B I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.938 112.5 47.8 -64.2 -44.2 20.7 49.9 24.9 517 245 B M H X S+ 0 0 82 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.923 110.0 51.6 -62.4 -45.4 20.1 48.8 28.5 518 246 B A H X S+ 0 0 53 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.922 112.4 46.8 -55.4 -45.1 19.5 45.1 27.5 519 247 B K H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.922 111.5 50.1 -67.2 -41.3 22.9 45.2 25.7 520 248 B L H X S+ 0 0 24 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.916 112.4 48.2 -62.1 -42.1 24.7 46.9 28.5 521 249 B A H >X S+ 0 0 61 -4,-2.6 4,-0.8 1,-0.2 3,-0.6 0.943 114.2 44.2 -64.2 -51.0 23.4 44.3 31.0 522 250 B C H 3X S+ 0 0 91 -4,-2.4 4,-1.9 1,-0.2 3,-0.5 0.888 108.9 58.6 -63.3 -38.0 24.2 41.3 28.9 523 251 B N H 3X S+ 0 0 18 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.745 91.3 67.9 -68.2 -22.9 27.7 42.6 28.0 524 252 B T H < S+ 0 0 20 -4,-1.9 3,-1.5 1,-0.2 5,-0.4 0.954 113.2 42.2 -55.7 -55.4 30.2 38.7 28.3 527 255 B L H >X S+ 0 0 43 -4,-2.9 3,-2.0 1,-0.3 4,-0.8 0.869 103.7 67.3 -67.0 -32.8 33.2 41.0 29.0 528 256 B N H 3< S+ 0 0 115 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.645 84.7 74.9 -60.8 -15.4 33.7 39.4 32.5 529 257 B Q T << S- 0 0 114 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.573 120.6-100.1 -70.9 -9.4 34.8 36.1 30.6 530 258 B G T <> + 0 0 16 -3,-2.0 4,-2.3 -4,-0.1 5,-0.2 0.796 68.3 154.4 90.8 35.9 38.1 37.8 29.7 531 259 B V H X S+ 0 0 2 -4,-0.8 4,-2.4 -5,-0.4 5,-0.2 0.912 70.1 56.1 -59.4 -45.4 37.3 38.7 26.1 532 260 B A H > S+ 0 0 50 -5,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.900 110.0 44.4 -58.1 -45.0 39.8 41.5 26.1 533 261 B T H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.911 110.9 53.5 -66.4 -42.9 42.7 39.2 27.0 534 262 B S H X S+ 0 0 32 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.908 111.6 47.4 -55.8 -42.4 41.6 36.5 24.5 535 263 B Q H X S+ 0 0 29 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.916 112.7 47.6 -70.3 -43.3 41.6 39.1 21.8 536 264 B M H X S+ 0 0 31 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.959 116.2 41.8 -63.0 -52.1 45.0 40.5 22.7 537 265 B V H X S+ 0 0 50 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.900 115.2 51.7 -65.3 -38.1 46.8 37.2 23.0 538 266 B S H X S+ 0 0 21 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.865 107.1 52.5 -67.9 -36.5 45.1 35.9 19.9 539 267 B T H X S+ 0 0 2 -4,-2.2 4,-1.5 -86,-0.4 -1,-0.2 0.877 109.9 49.2 -64.3 -37.5 46.1 39.0 17.9 540 268 B V H X S+ 0 0 31 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.936 110.7 51.0 -64.0 -44.8 49.8 38.3 19.0 541 269 B F H X S+ 0 0 102 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.821 104.5 56.4 -62.3 -35.4 49.4 34.7 17.9 542 270 B D H X S+ 0 0 5 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.891 105.9 51.2 -65.3 -39.2 48.1 35.7 14.5 543 271 B G H < S+ 0 0 2 -4,-1.5 4,-0.4 2,-0.2 3,-0.3 0.941 110.9 49.2 -58.2 -46.0 51.2 37.7 13.9 544 272 B I H >X S+ 0 0 72 -4,-1.9 3,-1.9 1,-0.2 4,-0.8 0.920 107.0 54.2 -61.3 -46.5 53.2 34.7 14.9 545 273 B A H 3< S+ 0 0 12 -4,-2.7 -96,-0.5 1,-0.3 3,-0.4 0.819 107.3 51.7 -56.6 -34.3 51.3 32.4 12.5 546 274 B R T 3< S+ 0 0 14 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.540 115.5 42.0 -79.6 -8.1 52.1 34.8 9.6 547 275 B H T <4 S+ 0 0 12 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.343 87.3 103.1-125.2 7.8 55.8 34.7 10.5 548 276 B T S X S- 0 0 39 -4,-0.8 4,-2.7 -3,-0.4 5,-0.3 -0.359 89.0-101.2 -78.2 166.8 56.6 31.1 11.2 549 277 B P H > S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.902 127.2 51.9 -53.8 -38.6 58.3 28.9 8.7 550 278 B E H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.903 109.4 48.0 -65.3 -43.0 54.9 27.5 7.9 551 279 B G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 111.2 49.7 -64.3 -44.7 53.4 30.9 7.4 552 280 B H H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.883 108.9 53.5 -60.8 -37.9 56.2 32.1 5.2 553 281 B A H X S+ 0 0 57 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.903 108.1 50.1 -67.8 -39.1 55.8 28.9 3.0 554 282 B F H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.935 112.1 47.3 -59.8 -45.5 52.1 29.6 2.5 555 283 B V H X S+ 0 0 60 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.889 108.9 54.7 -66.7 -39.6 52.8 33.2 1.4 556 284 B A H X S+ 0 0 58 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.922 110.2 46.5 -58.9 -43.4 55.6 32.0 -0.9 557 285 B T H X S+ 0 0 35 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.935 114.0 48.0 -63.0 -45.5 53.1 29.6 -2.6 558 286 B A H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.924 112.7 48.8 -60.7 -43.8 50.5 32.4 -2.8 559 287 B R H < S+ 0 0 216 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.910 117.7 40.4 -61.6 -43.4 53.0 34.9 -4.2 560 288 B E H < S+ 0 0 140 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.916 136.2 12.8 -71.3 -46.0 54.2 32.3 -6.9 561 289 B H H < S- 0 0 101 -4,-2.9 4,-0.4 1,-0.2 -3,-0.2 0.350 112.2 -94.4-119.1 -1.3 50.8 30.8 -7.9 562 290 B G X - 0 0 32 -4,-2.3 4,-1.4 -5,-0.4 3,-0.5 0.102 37.8 -86.0 91.7 149.0 48.1 33.1 -6.4 563 291 B F H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 122.5 61.4 -58.1 -37.4 46.2 32.9 -3.2 564 292 B R H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 106.2 44.4 -60.2 -45.5 43.6 30.6 -4.7 565 293 B E H > S+ 0 0 48 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.2 0.810 111.2 54.4 -68.0 -32.9 46.1 27.8 -5.5 566 294 B A H X S+ 0 0 2 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.917 110.6 46.1 -68.1 -40.9 47.7 28.2 -2.0 567 295 B V H X S+ 0 0 21 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.912 109.4 55.9 -65.1 -42.7 44.2 27.7 -0.4 568 296 B R H X S+ 0 0 82 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.943 108.8 46.6 -52.5 -49.1 43.6 24.7 -2.8 569 297 B R H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.815 114.2 48.6 -67.9 -31.5 46.8 23.1 -1.5 570 298 B R H < S+ 0 0 36 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.899 123.7 27.2 -70.2 -43.3 45.9 23.8 2.1 571 299 B D H ><>S+ 0 0 4 -4,-2.7 5,-1.4 2,-0.1 3,-1.3 0.779 102.8 72.4 -99.6 -30.6 42.3 22.5 2.0 572 300 B E G ><5S+ 0 0 99 -4,-2.8 3,-1.6 -5,-0.4 -3,-0.1 0.898 95.7 55.2 -58.6 -41.2 42.1 19.8 -0.7 573 301 B P G 3 5S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.793 107.5 52.2 -59.8 -21.0 44.1 17.3 1.4 574 302 B M G < 5S- 0 0 104 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.388 112.2-122.4 -97.1 2.6 41.4 17.9 4.2 575 303 B G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 -4,-0.3 -4,-0.1 0.612 89.1 92.8 74.1 13.4 38.6 17.2 1.7 576 304 B D < + 0 0 1 -5,-1.4 -4,-0.2 6,-0.1 6,-0.1 -0.002 44.1 147.7-131.8 30.9 36.9 20.6 2.3 577 305 B H > - 0 0 45 -6,-0.3 3,-1.4 -5,-0.1 2,-0.1 -0.400 67.4 -11.7 -66.2 143.4 38.2 22.9 -0.4 578 306 B G T 3 S- 0 0 39 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.403 134.8 -15.2 68.7-137.6 35.7 25.6 -1.6 579 307 B R T 3 S+ 0 0 118 -2,-0.1 -1,-0.2 -161,-0.0 -2,-0.1 0.455 100.6 126.2 -83.8 3.4 32.1 25.1 -0.5 580 308 B R < - 0 0 153 -3,-1.4 2,-0.1 1,-0.1 -4,-0.0 -0.310 63.0-115.5 -60.5 144.3 32.6 21.5 0.5 581 309 B A - 0 0 67 1,-0.1 -105,-0.1 -6,-0.1 -1,-0.1 -0.414 6.3-139.6 -77.0 153.6 31.6 20.6 4.1 582 310 B S - 0 0 19 -107,-0.7 -1,-0.1 -2,-0.1 -106,-0.1 0.493 33.1-130.4 -91.3 -6.5 34.1 19.5 6.7 583 311 B D 0 0 149 1,-0.1 -107,-0.1 -108,-0.1 -109,-0.0 0.929 360.0 360.0 56.5 52.5 31.8 16.8 8.1 584 312 B V 0 0 53 -109,-0.3 -108,-0.1 -115,-0.0 -1,-0.1 0.802 360.0 360.0 -77.4 360.0 32.2 17.8 11.7