==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-NOV-08 2W3P . COMPND 2 MOLECULE: BENZOYL-COA-DIHYDRODIOL LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS; . AUTHOR J.BAINS,M.J.BOULANGER . 1095 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 801 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 82 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 5 8 5 5 0 2 2 0 2 2 0 2 2 2 2 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 7 3 6 2 2 2 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 . 3 1 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 10 A P 0 0 140 0, 0.0 2,-0.4 0, 0.0 313,-0.1 0.000 360.0 360.0 360.0 149.2 21.6 30.0 26.9 2 11 A V - 0 0 4 308,-0.2 2,-0.5 307,-0.1 312,-0.1 -0.696 360.0-159.9 -87.1 134.2 22.6 33.5 25.9 3 12 A D - 0 0 68 -2,-0.4 49,-0.0 1,-0.1 303,-0.0 -0.978 2.8-166.9-110.6 120.1 24.8 35.6 28.1 4 13 A Y + 0 0 10 -2,-0.5 2,-0.4 302,-0.2 52,-0.1 0.502 55.4 106.6 -84.0 -6.1 24.6 39.3 27.4 5 14 A R + 0 0 77 301,-0.1 2,-0.3 240,-0.1 -2,-0.1 -0.617 40.4 131.9 -80.0 131.3 27.7 40.2 29.4 6 15 A T - 0 0 20 -2,-0.4 -2,-0.0 46,-0.1 3,-0.0 -0.901 32.5-152.6-156.2-176.1 30.8 41.1 27.6 7 16 A D >> - 0 0 47 -2,-0.3 3,-2.2 237,-0.0 4,-0.5 -0.959 40.9 -91.7-161.3 163.9 33.6 43.7 27.4 8 17 A P G >4 S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 6,-0.1 0.787 119.4 63.7 -57.6 -30.6 36.0 45.2 24.8 9 18 A S G 34 S+ 0 0 108 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.757 109.7 42.1 -61.6 -21.6 38.8 42.6 25.6 10 19 A Q G <4 S+ 0 0 103 -3,-2.2 -1,-0.2 43,-0.0 43,-0.0 0.470 83.0 127.5-102.3 -6.9 36.3 39.9 24.4 11 20 A Y << + 0 0 31 -3,-0.9 39,-0.1 -4,-0.5 -5,-0.0 -0.296 28.5 177.0 -62.1 135.4 34.8 41.6 21.3 12 21 A K S S+ 0 0 128 21,-0.1 -1,-0.2 18,-0.1 21,-0.1 0.650 79.7 34.2 -94.9 -24.1 35.0 39.5 18.1 13 22 A H S S+ 0 0 3 16,-0.2 15,-2.7 36,-0.1 2,-0.3 0.501 106.7 53.6-119.5 -8.9 33.1 42.0 15.9 14 23 A W E -A 27 0A 21 13,-0.2 2,-0.4 -6,-0.1 13,-0.2 -0.965 51.2-156.1-137.1 146.8 33.9 45.6 16.8 15 24 A K E -A 26 0A 119 11,-1.9 11,-3.1 -2,-0.3 2,-0.5 -0.994 11.0-156.7-122.9 130.2 36.9 47.9 17.3 16 25 A L E -A 25 0A 34 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.915 11.3-178.2-106.0 131.6 36.7 51.0 19.4 17 26 A S E -A 24 0A 50 7,-2.4 7,-2.9 -2,-0.5 2,-0.6 -0.980 12.3-153.1-129.4 135.4 39.2 53.9 18.9 18 27 A F E +A 23 0A 79 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.911 18.7 168.9-119.4 109.0 39.3 57.1 21.0 19 28 A N E > -A 22 0A 107 3,-2.5 3,-2.2 -2,-0.6 -2,-0.0 -0.815 63.1 -77.0-118.2 87.9 40.7 60.3 19.4 20 29 A G T 3 S- 0 0 47 -2,-0.6 -1,-0.1 1,-0.3 47,-0.0 -0.358 115.4 -3.6 55.4-125.6 39.8 63.1 21.7 21 30 A P T 3 S+ 0 0 48 0, 0.0 48,-3.1 0, 0.0 49,-2.2 0.529 124.4 77.7 -78.3 -3.6 36.1 64.0 21.4 22 31 A V E < -Ab 19 70A 1 -3,-2.2 -3,-2.5 46,-0.2 2,-0.4 -0.927 58.8-168.4-113.7 116.4 35.6 61.5 18.6 23 32 A A E -Ab 18 71A 0 47,-2.5 49,-3.0 -2,-0.6 2,-0.6 -0.837 12.6-149.0 -92.9 133.9 35.2 57.8 19.2 24 33 A T E -Ab 17 72A 41 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.7 -0.932 6.6-164.5-105.1 124.3 35.3 55.5 16.1 25 34 A L E -Ab 16 73A 3 47,-3.2 49,-2.2 -2,-0.6 2,-0.5 -0.935 14.8-159.8-108.1 104.6 33.2 52.4 16.3 26 35 A G E -Ab 15 74A 1 -11,-3.1 -11,-1.9 -2,-0.7 2,-0.6 -0.775 13.0-137.8 -97.2 124.4 34.5 50.1 13.5 27 36 A I E +Ab 14 75A 1 47,-3.3 49,-2.7 -2,-0.5 50,-0.4 -0.695 38.0 154.0 -77.8 116.6 32.3 47.3 12.2 28 37 A D - 0 0 66 -15,-2.7 2,-0.1 -2,-0.6 -1,-0.1 -0.462 24.9-165.2-143.2 67.0 34.7 44.3 11.7 29 38 A I - 0 0 3 1,-0.1 2,-0.6 2,-0.1 15,-0.3 -0.312 18.3-128.3 -71.1 130.4 32.5 41.2 12.0 30 39 A A > - 0 0 35 1,-0.1 3,-2.0 3,-0.1 11,-0.2 -0.666 10.8-150.7 -77.1 115.1 34.2 37.8 12.5 31 40 A E T 3 S+ 0 0 93 -2,-0.6 10,-2.1 1,-0.3 3,-0.3 0.828 97.6 43.7 -55.4 -35.1 32.8 35.4 9.9 32 41 A D T 3 S+ 0 0 125 1,-0.2 -1,-0.3 8,-0.2 -2,-0.0 0.283 92.7 89.9 -94.5 11.8 33.3 32.4 12.2 33 42 A G < + 0 0 12 -3,-2.0 -1,-0.2 8,-0.1 -2,-0.1 0.079 50.0 148.9-103.4 24.6 31.9 34.2 15.2 34 43 A G - 0 0 23 -3,-0.3 4,-0.1 5,-0.3 12,-0.0 -0.254 48.4-137.1 -58.4 141.8 28.2 33.3 15.0 35 44 A I S S+ 0 0 49 2,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.736 92.1 32.3 -73.5 -24.1 26.4 33.0 18.3 36 45 A R S S- 0 0 100 3,-0.1 3,-0.4 1,-0.0 2,-0.0 -0.871 95.1-101.1-126.3 164.6 24.7 29.8 17.1 37 46 A D S S+ 0 0 151 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.301 84.6 55.3 -84.7 164.7 25.9 27.2 14.7 38 47 A G S S+ 0 0 66 1,-0.1 2,-0.3 -4,-0.1 -1,-0.2 0.383 90.7 65.1 105.7 -1.4 25.2 26.6 11.0 39 48 A Y - 0 0 23 -3,-0.4 2,-0.3 -8,-0.0 -5,-0.3 -0.993 62.5-134.3-148.3 154.0 26.1 29.9 9.3 40 49 A K - 0 0 107 -2,-0.3 2,-0.8 -7,-0.1 48,-0.2 -0.779 21.7-132.1 -99.1 152.5 29.0 32.2 8.5 41 50 A L + 0 0 0 -10,-2.1 3,-0.4 -2,-0.3 4,-0.2 -0.681 40.0 176.9-102.9 74.1 28.7 36.0 9.0 42 51 A K > + 0 0 127 -2,-0.8 3,-0.6 1,-0.2 41,-0.2 -0.413 53.9 11.8 -80.2 154.2 30.1 37.1 5.7 43 52 A L T 3 S- 0 0 76 1,-0.2 40,-0.8 -2,-0.1 -1,-0.2 0.860 130.4 -56.6 53.1 47.9 30.4 40.7 4.5 44 53 A N T 3 S+ 0 0 0 -3,-0.4 39,-1.6 -15,-0.3 40,-0.7 0.913 91.6 154.3 49.4 47.5 29.6 42.4 7.8 45 54 A S E < -f 84 0B 6 -3,-0.6 2,-0.3 38,-0.2 40,-0.2 -0.757 29.1-142.8 -94.6 157.4 26.3 40.6 8.2 46 55 A Y E -f 85 0B 6 38,-2.3 40,-2.9 -2,-0.3 2,-0.2 -0.772 24.8-176.2-131.2 164.4 25.1 40.2 11.8 47 56 A D > - 0 0 0 -2,-0.3 4,-1.6 38,-0.2 3,-0.3 -0.727 56.5 -72.7-138.5-171.9 23.4 38.1 14.4 48 57 A L H > S+ 0 0 0 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.867 127.8 55.9 -60.1 -37.6 22.4 38.5 18.1 49 58 A G H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 103.3 53.8 -62.9 -39.2 26.0 38.2 19.3 50 59 A V H > S+ 0 0 3 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.923 111.8 46.2 -59.1 -43.1 27.1 41.1 17.1 51 60 A D H X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.829 104.6 59.7 -71.3 -32.8 24.4 43.2 18.6 52 61 A I H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.931 109.5 45.0 -58.5 -42.0 25.3 42.2 22.2 53 62 A E H X S+ 0 0 8 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.914 111.4 52.5 -66.7 -41.8 28.7 43.6 21.5 54 63 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.938 108.6 50.4 -59.1 -48.0 27.3 46.8 19.9 55 64 A H H X S+ 0 0 27 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.939 112.6 47.2 -56.1 -46.0 25.1 47.3 23.0 56 65 A D H X S+ 0 0 19 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.918 109.0 54.2 -61.6 -45.7 28.1 46.9 25.3 57 66 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.900 108.3 48.2 -58.6 -43.0 30.2 49.3 23.1 58 67 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.914 110.3 53.2 -65.0 -37.3 27.7 52.1 23.3 59 68 A Q H X S+ 0 0 14 -4,-2.0 4,-2.4 -5,-0.3 5,-0.4 0.911 107.3 51.4 -60.8 -41.4 27.5 51.5 27.1 60 69 A R H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 5,-0.5 0.898 110.4 48.7 -62.7 -42.3 31.3 51.9 27.3 61 70 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 3,-0.2 7,-0.2 0.962 112.0 49.8 -62.0 -46.4 31.2 55.1 25.4 62 71 A R H < S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.921 127.3 19.7 -55.8 -50.8 28.4 56.5 27.6 63 72 A F H < S+ 0 0 0 -4,-2.4 177,-2.6 -5,-0.1 -3,-0.2 0.813 128.2 42.5 -97.4 -34.1 30.0 55.7 31.0 64 73 A E H < S+ 0 0 49 -4,-2.3 175,-0.4 -5,-0.4 -3,-0.2 0.561 112.7 52.6 -93.0 -9.2 33.7 55.3 30.4 65 74 A H >< + 0 0 29 -4,-1.1 3,-1.6 -5,-0.5 -1,-0.2 -0.486 46.1 156.1-133.0 66.8 34.2 58.2 28.0 66 75 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 170,-0.1 0.752 80.1 62.1 -55.1 -25.6 32.9 61.5 29.3 67 76 A E T 3 S+ 0 0 49 170,-0.2 2,-0.3 -3,-0.1 168,-0.1 0.699 84.7 91.8 -78.0 -18.0 35.4 63.1 26.8 68 77 A V < + 0 0 0 -3,-1.6 -46,-0.2 -7,-0.2 3,-0.1 -0.590 39.7 163.1 -82.0 139.2 33.7 61.6 23.8 69 78 A R + 0 0 56 -48,-3.1 53,-1.4 1,-0.4 2,-0.4 0.594 64.0 39.7-125.8 -27.5 31.0 63.7 22.1 70 79 A T E -bc 22 122A 0 -49,-2.2 -47,-2.5 51,-0.2 2,-0.5 -0.993 61.9-156.2-129.8 137.6 30.6 62.2 18.7 71 80 A V E -bc 23 123A 2 51,-2.8 53,-3.0 -2,-0.4 2,-0.6 -0.968 8.7-155.8-112.1 118.1 30.7 58.5 17.7 72 81 A V E -bc 24 124A 7 -49,-3.0 -47,-3.2 -2,-0.5 2,-0.6 -0.869 6.5-157.6 -92.3 119.0 31.6 57.7 14.1 73 82 A L E +bc 25 125A 8 51,-2.7 53,-3.0 -2,-0.6 2,-0.3 -0.878 30.5 147.7 -95.6 121.9 30.2 54.4 13.0 74 83 A T E -bc 26 126A 22 -49,-2.2 -47,-3.3 -2,-0.6 2,-0.4 -0.939 43.6-103.7-149.8 167.8 32.1 53.0 10.1 75 84 A S E -b 27 0A 5 51,-0.5 -47,-0.2 -2,-0.3 7,-0.1 -0.793 7.7-162.2 -98.3 144.2 33.3 49.7 8.5 76 85 A L S S+ 0 0 76 -49,-2.7 2,-0.4 -2,-0.4 -48,-0.1 0.307 71.6 89.5-100.7 6.7 36.8 48.2 8.7 77 86 A K S S- 0 0 43 3,-0.4 3,-0.4 -50,-0.4 2,-0.1 -0.837 81.4-118.2-101.9 142.3 36.0 46.0 5.7 78 87 A D S S+ 0 0 141 -2,-0.4 2,-0.2 1,-0.2 51,-0.1 -0.485 92.1 9.8 -76.8 146.0 36.6 47.1 2.1 79 88 A R S S+ 0 0 178 49,-0.4 51,-2.6 -2,-0.1 2,-0.4 0.053 117.8 70.6 85.2 -28.9 33.6 47.3 -0.2 80 89 A V E +g 130 0C 6 -3,-0.4 -3,-0.4 49,-0.3 51,-0.2 -0.969 43.0 179.9-133.4 136.4 31.0 46.8 2.5 81 90 A F E S- 0 0 0 49,-2.8 2,-0.3 -2,-0.4 50,-0.2 0.856 82.1 -32.6 -89.0 -63.9 29.7 48.9 5.4 82 91 A C E -g 131 0C 4 48,-1.7 50,-1.9 47,-0.1 -1,-0.2 -0.903 44.7-158.9-161.2 129.4 27.1 46.4 6.7 83 92 A S - 0 0 46 -39,-1.6 51,-0.3 -40,-0.8 -38,-0.2 0.339 48.6-119.3 -97.9 6.6 25.0 43.8 4.8 84 93 A G E -f 45 0B 1 -40,-0.7 -38,-2.3 49,-0.2 -1,-0.3 -0.352 59.2 -9.9 99.1-172.5 22.3 43.4 7.4 85 94 A A E S-f 46 0B 21 -40,-0.2 -38,-0.2 1,-0.1 2,-0.2 -0.456 86.2 -99.0 -61.6 134.8 21.0 40.6 9.6 86 95 A N > - 0 0 9 -40,-2.9 4,-2.2 1,-0.1 5,-0.1 -0.359 28.2-151.1 -64.3 125.5 22.5 37.4 8.3 87 96 A I H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.885 94.7 51.4 -69.1 -38.6 20.0 35.6 6.0 88 97 A F H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.923 110.2 50.6 -63.7 -41.6 21.2 32.1 6.7 89 98 A M H > S+ 0 0 2 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.918 110.0 50.4 -61.9 -41.5 21.0 32.8 10.4 90 99 A L H >< S+ 0 0 11 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.929 109.1 50.7 -63.3 -43.5 17.4 34.1 10.0 91 100 A G H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.812 113.0 46.8 -63.8 -28.1 16.4 31.0 8.0 92 101 A L H 3< S+ 0 0 105 -4,-1.5 2,-0.3 -3,-0.2 -1,-0.2 0.478 95.8 96.3 -92.4 -6.3 17.8 28.7 10.7 93 102 A S S << S- 0 0 20 -3,-1.0 -3,-0.0 -4,-0.7 -4,-0.0 -0.612 74.2-117.5 -91.2 146.9 16.2 30.6 13.6 94 103 A T > - 0 0 93 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.269 32.3-106.7 -69.4 163.4 13.0 29.7 15.4 95 104 A H H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.946 122.1 48.3 -54.2 -52.6 10.1 32.2 15.4 96 105 A A H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 110.0 52.5 -59.8 -37.9 10.7 33.1 19.0 97 106 A W H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 110.2 48.3 -64.1 -45.0 14.4 33.6 18.4 98 107 A K H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.929 111.1 50.0 -58.7 -45.9 13.7 35.9 15.5 99 108 A V H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 112.8 45.8 -64.3 -40.8 11.2 38.0 17.5 100 109 A N H X S+ 0 0 15 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.902 112.0 52.7 -65.1 -40.0 13.6 38.4 20.4 101 110 A F H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.938 110.6 46.8 -61.6 -46.2 16.4 39.2 18.0 102 111 A C H X S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.923 114.0 48.7 -58.6 -44.9 14.3 42.0 16.3 103 112 A K H X S+ 0 0 29 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.945 113.9 43.6 -66.0 -47.2 13.2 43.3 19.7 104 113 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.944 115.0 48.6 -65.8 -45.9 16.7 43.5 21.2 105 114 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.896 109.7 53.9 -62.3 -35.4 18.3 45.0 18.1 106 115 A N H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.903 108.6 49.1 -62.2 -41.2 15.5 47.5 18.0 107 116 A E H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.870 106.6 55.3 -68.6 -35.8 16.2 48.6 21.5 108 117 A T H X S+ 0 0 7 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.931 113.3 42.3 -59.7 -44.0 19.9 48.9 20.8 109 118 A R H >X S+ 0 0 4 -4,-2.0 4,-1.2 2,-0.2 3,-1.0 0.910 110.5 54.1 -70.7 -43.5 19.1 51.3 18.0 110 119 A N H 3X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.872 103.2 61.8 -56.4 -32.5 16.5 53.2 19.9 111 120 A G H 3X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.783 95.0 58.3 -66.3 -28.6 19.2 53.6 22.5 112 121 A L H S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-1.4 0.815 107.2 59.4 -71.9 -30.9 21.6 59.1 24.0 116 125 A S H <5S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 115.4 36.9 -62.3 -37.3 21.4 61.7 21.2 117 126 A R H <5S+ 0 0 129 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.876 135.5 16.7 -76.8 -38.3 18.6 63.3 23.2 118 127 A H H <5S+ 0 0 75 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.393 117.8 53.6-126.4 -2.4 19.9 62.7 26.8 119 128 A S T <5S- 0 0 1 -4,-2.3 -3,-0.1 2,-0.2 -4,-0.1 0.443 97.3-114.1-113.2 -7.9 23.6 61.9 26.9 120 129 A G S - h 0 156C 20 -50,-1.9 3,-2.6 -2,-0.4 25,-0.2 -0.886 47.5 -38.4-120.7 140.3 22.0 47.0 2.8 133 142 A G T >> S+ 0 0 5 23,-2.0 4,-2.5 -2,-0.4 3,-0.9 -0.312 135.2 16.5 58.6-122.8 18.9 46.0 4.9 134 143 A G H 3> S+ 0 0 4 1,-0.3 4,-2.1 -51,-0.3 -1,-0.3 0.784 124.4 63.9 -50.5 -30.7 19.9 45.9 8.5 135 144 A G H <> S+ 0 0 0 -3,-2.6 4,-2.0 2,-0.2 -1,-0.3 0.938 107.6 39.9 -59.6 -47.1 23.0 47.9 7.5 136 145 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.9 20,-0.4 -2,-0.2 0.899 110.6 59.7 -70.9 -35.5 20.8 50.8 6.5 137 146 A E H X S+ 0 0 4 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.871 107.3 46.8 -58.4 -37.7 18.5 50.3 9.5 138 147 A L H >X S+ 0 0 6 -4,-2.1 3,-0.8 -5,-0.2 4,-0.5 0.934 111.4 49.7 -69.2 -46.1 21.5 50.8 11.7 139 148 A A H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.893 103.8 62.6 -57.6 -37.4 22.6 53.9 9.9 140 149 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.818 97.7 55.9 -58.8 -32.1 19.0 55.2 10.1 141 150 A A H << S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.595 92.2 90.5 -78.6 -11.2 19.3 55.3 13.9 142 151 A C S << S- 0 0 1 -3,-1.6 -18,-0.2 -4,-0.5 3,-0.1 -0.324 88.7-115.8 -76.0 167.1 22.3 57.5 13.8 143 152 A D S S+ 0 0 42 -20,-2.0 2,-0.3 1,-0.2 -19,-0.2 0.884 94.5 10.7 -72.5 -38.3 21.9 61.3 13.8 144 153 A E E -d 124 0A 35 -21,-1.4 -19,-3.0 -5,-0.0 2,-0.5 -0.970 63.8-147.5-142.4 152.8 23.4 61.8 10.2 145 154 A I E -d 125 0A 0 -2,-0.3 63,-2.4 -21,-0.2 64,-1.6 -0.990 10.8-172.1-124.6 118.8 24.3 59.5 7.4 146 155 A Y E -de 126 209A 24 -21,-2.9 -19,-2.8 -2,-0.5 2,-0.4 -0.959 10.7-160.3-111.9 126.6 27.2 60.4 5.0 147 156 A L E -de 127 210A 0 62,-2.5 64,-2.0 -2,-0.5 2,-0.2 -0.909 21.6-116.8-112.3 135.0 27.5 58.1 1.9 148 157 A V E - e 0 211A 10 -21,-2.3 2,-1.2 -2,-0.4 50,-0.4 -0.496 19.9-141.7 -69.6 132.8 30.7 57.7 -0.1 149 158 A D + 0 0 43 62,-2.9 -1,-0.1 -2,-0.2 5,-0.1 -0.629 53.7 133.9 -94.3 73.9 30.1 59.0 -3.7 150 159 A D S S- 0 0 47 -2,-1.2 -1,-0.2 3,-0.2 -2,-0.0 0.182 76.3-107.7-114.9 13.4 32.2 56.3 -5.5 151 160 A R S S+ 0 0 206 2,-0.2 -2,-0.1 1,-0.1 46,-0.1 0.453 110.3 48.4 74.6 2.7 29.8 55.2 -8.3 152 161 A S S S+ 0 0 89 -4,-0.2 -1,-0.1 1,-0.1 -3,-0.1 0.624 76.0 93.0-133.9 -58.7 29.2 51.9 -6.5 153 162 A S + 0 0 8 -23,-0.1 45,-0.5 -5,-0.1 2,-0.3 -0.267 54.8 175.9 -57.5 130.3 28.3 52.1 -2.7 154 163 A S E - I 0 197C 23 43,-0.1 -23,-2.5 -5,-0.1 2,-0.4 -0.913 33.2-127.3-138.0 155.7 24.6 52.2 -2.1 155 164 A V E +hI 131 196C 0 41,-2.4 41,-2.9 -2,-0.3 2,-0.3 -0.857 40.0 165.1 -99.0 142.4 22.0 52.2 0.5 156 165 A S E -h 132 0C 7 -25,-2.0 -23,-2.0 -2,-0.4 -20,-0.4 -0.992 38.6-156.8-154.1 156.9 19.2 49.6 0.1 157 166 A L + 0 0 0 32,-0.7 3,-0.5 35,-0.5 35,-0.2 -0.726 27.5 161.8-131.6 78.5 16.4 47.8 1.9 158 167 A P >> + 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.7 0.399 39.1 109.9 -83.7 7.8 16.1 44.6 -0.1 159 168 A E H >>S+ 0 0 12 3,-0.2 4,-2.0 1,-0.2 6,-1.5 0.885 76.7 47.2 -54.0 -47.5 14.1 42.7 2.7 160 169 A V H >5S+ 0 0 1 -3,-0.5 4,-1.1 30,-0.5 873,-0.4 0.966 121.7 31.4 -61.9 -56.8 10.8 42.6 0.8 161 170 A P H 45S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.837 131.5 33.4 -71.9 -31.4 11.9 41.4 -2.6 162 171 A L H <5S+ 0 0 61 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.852 133.6 20.9 -95.6 -37.6 14.9 39.3 -1.4 163 172 A L H < + 0 0 0 0, 0.0 5,-1.7 0, 0.0 6,-0.3 -0.715 58.9 171.1 -68.9 89.2 12.9 46.1 7.3 168 177 A G T 5 + 0 0 3 -2,-1.6 2,-0.7 1,-0.2 347,-0.1 0.460 50.9 84.1 -95.0 -4.9 11.7 45.2 10.8 169 178 A T T 5S- 0 0 9 1,-0.1 -1,-0.2 -3,-0.1 338,-0.1 -0.287 129.6 -72.6 -91.2 50.0 14.5 46.7 12.9 170 179 A G T >5S+ 0 0 0 -2,-0.7 4,-2.5 337,-0.2 5,-0.3 0.485 101.1 130.3 78.2 1.5 12.8 50.1 12.7 171 180 A G H >5S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -3,-0.2 0.935 72.1 38.7 -56.3 -55.3 13.7 50.5 9.0 172 181 A L H > S+ 0 0 1 -6,-0.3 4,-2.8 1,-0.2 5,-0.4 0.851 112.3 45.4 -66.8 -34.7 9.4 53.6 10.6 174 183 A R H X>S+ 0 0 0 -4,-2.5 5,-3.0 3,-0.2 4,-1.6 0.886 108.3 57.8 -74.8 -36.6 12.6 55.6 10.4 175 184 A V H <5S+ 0 0 0 -4,-2.3 6,-2.6 -5,-0.3 -2,-0.2 0.905 121.8 26.5 -57.1 -43.1 12.3 56.0 6.6 176 185 A T H <5S+ 0 0 0 -4,-2.1 4,-0.4 4,-0.2 -2,-0.2 0.938 130.4 34.7 -83.9 -52.1 8.9 57.6 7.1 177 186 A D H <5S+ 0 0 28 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.756 131.2 24.2 -82.9 -27.2 8.9 59.2 10.6 178 187 A K T <5S+ 0 0 65 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.836 132.4 31.5-104.3 -52.7 12.6 60.3 10.8 179 188 A R S > - 0 0 22 -2,-0.4 4,-2.6 22,-0.2 3,-0.8 -0.266 35.0-122.1 -57.7 135.0 7.9 60.4 0.4 183 192 A H H 3> S+ 0 0 2 796,-0.4 4,-1.8 1,-0.3 -1,-0.1 0.809 108.8 49.5 -58.9 -34.0 6.0 57.2 0.8 184 193 A D H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.849 111.5 50.0 -74.0 -33.0 5.9 56.2 -2.9 185 194 A R H <> S+ 0 0 57 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.902 109.9 51.5 -64.7 -42.1 9.6 56.8 -3.2 186 195 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.867 105.3 56.5 -61.0 -34.5 10.0 54.6 -0.1 187 196 A D H < S+ 0 0 1 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.943 109.6 44.1 -62.8 -48.8 7.9 52.0 -1.9 188 197 A I H >< S+ 0 0 37 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.943 114.1 51.7 -56.4 -47.7 10.3 52.0 -4.8 189 198 A F H >< S+ 0 0 0 -4,-2.8 -32,-0.7 1,-0.3 3,-0.7 0.882 111.7 46.1 -58.5 -39.6 13.2 51.9 -2.3 190 199 A C T 3< S+ 0 0 0 -4,-2.6 -30,-0.5 1,-0.2 -1,-0.3 0.407 111.5 51.0 -89.7 5.4 11.8 49.0 -0.4 191 200 A T T < S+ 0 0 5 -3,-1.4 2,-0.4 -4,-0.4 -1,-0.2 0.165 96.2 74.5-129.2 17.6 11.0 46.9 -3.4 192 201 A V < - 0 0 30 -3,-0.7 -35,-0.5 -4,-0.2 -32,-0.1 -0.989 62.5-151.1-128.2 139.8 14.3 46.9 -5.3 193 202 A V S S+ 0 0 62 -2,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.917 90.2 59.2 -75.4 -41.3 17.4 45.0 -4.4 194 203 A E S S- 0 0 137 1,-0.2 -1,-0.2 -38,-0.1 -5,-0.1 0.747 85.1-169.1 -68.3 -20.6 20.0 47.4 -5.9 195 204 A G - 0 0 11 -7,-0.2 2,-0.3 -6,-0.1 -39,-0.3 -0.323 28.1 -53.9 70.1-151.6 19.0 50.4 -3.8 196 205 A V E -I 155 0C 3 -41,-2.9 -41,-2.4 2,-0.0 2,-0.3 -0.965 44.2-172.6-140.2 140.3 20.3 53.9 -4.4 197 206 A R E >> -I 154 0C 153 -2,-0.3 4,-0.8 -43,-0.2 3,-0.7 -0.806 44.8 -3.8-128.8 166.9 23.6 55.7 -4.7 198 207 A G H >> S- 0 0 8 -45,-0.5 4,-1.0 -50,-0.4 3,-1.0 0.017 115.9 -8.5 58.5-149.7 25.1 59.2 -5.0 199 208 A E H 3> S+ 0 0 111 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.792 127.6 62.3 -58.2 -33.8 23.2 62.4 -5.2 200 209 A R H <> S+ 0 0 113 -3,-0.7 4,-2.8 1,-0.2 6,-0.3 0.893 98.1 57.9 -62.3 -36.6 19.8 60.7 -5.6 201 210 A A H <<>S+ 0 0 0 -3,-1.0 5,-1.9 -4,-0.8 6,-1.4 0.897 111.5 42.6 -58.1 -38.2 20.2 59.1 -2.2 202 211 A K H ><5S+ 0 0 71 -4,-1.0 3,-1.6 -3,-0.2 -2,-0.2 0.932 112.8 51.6 -70.3 -45.1 20.5 62.7 -0.8 203 212 A A H 3<5S+ 0 0 58 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.867 109.0 50.8 -63.5 -36.9 17.7 64.1 -2.9 204 213 A W T 3<5S- 0 0 31 -4,-2.8 -1,-0.3 -5,-0.2 -22,-0.2 0.465 116.6-115.0 -78.4 -4.6 15.3 61.3 -1.8 205 214 A R T < 5S+ 0 0 95 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.587 82.7 122.3 81.8 14.7 16.2 62.1 1.9 206 215 A L S > - 0 0 96 -2,-0.4 3,-2.0 -64,-0.2 4,-1.1 -0.239 36.1-111.3 -62.1 147.9 33.7 61.6 -3.1 213 222 A P H >> S+ 0 0 75 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.850 114.5 58.0 -54.2 -37.1 36.2 59.0 -1.8 214 223 A N H 34 S+ 0 0 106 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.698 119.1 30.8 -72.0 -15.1 39.2 61.3 -1.9 215 224 A Q H <> S+ 0 0 77 -3,-2.0 4,-2.3 2,-0.1 -1,-0.2 0.422 95.0 97.1-110.7 -2.1 37.5 63.7 0.5 216 225 A F H S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 111.2 48.5 -62.1 -42.5 38.3 64.4 5.9 219 228 A A H X S+ 0 0 27 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.885 110.4 51.7 -65.9 -39.8 34.6 65.3 5.6 220 229 A I H X S+ 0 0 11 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.957 112.5 44.7 -62.5 -51.0 33.6 62.7 8.2 221 230 A Q H X S+ 0 0 66 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 113.7 50.4 -62.1 -40.3 36.2 63.9 10.7 222 231 A A H X S+ 0 0 53 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.932 113.3 44.9 -63.1 -43.7 35.2 67.6 10.1 223 232 A R H X S+ 0 0 48 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.882 109.1 57.0 -68.4 -38.0 31.5 66.8 10.6 224 233 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.911 107.3 48.7 -57.6 -44.0 32.3 64.7 13.7 225 234 A L H X S+ 0 0 86 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.877 110.6 51.1 -63.4 -37.3 34.0 67.8 15.2 226 235 A E H < S+ 0 0 113 -4,-1.7 3,-0.5 1,-0.2 4,-0.4 0.927 110.6 47.7 -66.1 -42.0 31.0 70.0 14.4 227 236 A L H >< S+ 0 0 3 -4,-2.8 3,-0.8 1,-0.2 4,-0.3 0.818 106.2 60.3 -68.0 -27.8 28.6 67.5 15.9 228 237 A A H >< S+ 0 0 5 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.2 0.842 91.6 66.6 -66.2 -32.6 30.9 67.4 19.0 229 238 A A T 3< S+ 0 0 78 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.715 90.6 65.5 -65.0 -20.2 30.5 71.1 19.7 230 239 A Q T < S+ 0 0 116 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.696 87.5 94.4 -71.2 -21.7 26.8 70.6 20.5 231 240 A S < - 0 0 16 -3,-1.7 -111,-0.1 -4,-0.3 -110,-0.1 -0.226 56.9-161.0 -78.6 159.3 27.7 68.5 23.6 232 241 A D + 0 0 96 2,-0.1 114,-0.1 -163,-0.1 -1,-0.1 0.230 48.8 132.2-113.6 8.3 28.0 69.5 27.2 233 242 A R - 0 0 1 -113,-0.3 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-2,-0.1 -0.196 130.8 -41.2-117.0 40.4 6.5 62.0 37.2 416 425 A G T <45S+ 0 0 42 -3,-0.7 -2,-0.1 8,-0.1 -3,-0.1 0.316 103.4 104.0 132.2 -6.4 8.7 61.9 34.1 417 426 A L T <5S+ 0 0 30 -4,-0.9 -3,-0.1 -5,-0.4 -61,-0.1 0.792 93.6 37.2 -72.7 -25.9 12.2 60.8 34.8 418 427 A Y S - 0 0 3 4,-2.8 3,-2.4 1,-0.1 -60,-0.1 -0.301 47.0 -83.5 -75.1 176.0 8.0 54.5 28.7 421 430 A V T 3 S+ 0 0 22 1,-0.3 84,-0.5 -61,-0.3 83,-0.3 0.570 129.1 69.7 -70.0 -4.2 8.4 54.5 24.9 422 431 A T T 3 S- 0 0 5 2,-0.2 -1,-0.3 82,-0.1 3,-0.1 0.452 115.5-117.0 -77.5 -2.6 5.1 56.4 24.5 423 432 A H S < S+ 0 0 116 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.403 80.7 116.2 76.4 0.5 7.2 59.3 26.1 424 433 A Q S S- 0 0 11 76,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.676 73.6-110.5 -93.6 151.7 4.9 59.3 29.1 425 434 A S > - 0 0 13 -2,-0.3 4,-2.4 -6,-0.3 5,-0.2 -0.400 36.7-111.8 -65.3 158.8 5.6 58.4 32.7 426 435 A R H > S+ 0 0 0 -8,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.879 119.5 51.4 -64.9 -34.8 4.0 55.2 33.6 427 436 A L H > S+ 0 0 0 -13,-0.5 4,-2.1 2,-0.2 6,-0.2 0.889 107.4 51.9 -67.1 -39.2 1.6 57.1 36.0 428 437 A A H 4>S+ 0 0 15 2,-0.2 5,-2.6 1,-0.2 6,-0.3 0.925 113.6 44.8 -63.7 -44.3 0.6 59.5 33.2 429 438 A R H ><5S+ 0 0 0 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.941 109.9 56.6 -60.0 -45.9 -0.2 56.5 31.0 430 439 A R H 3<5S+ 0 0 1 -4,-2.7 302,-0.4 1,-0.3 -2,-0.2 0.874 116.2 34.2 -55.4 -40.9 -1.9 54.8 33.9 431 440 A F T ><5S- 0 0 13 -4,-2.1 3,-2.3 300,-0.1 -1,-0.3 0.171 109.2-115.3-104.6 17.3 -4.3 57.8 34.4 432 441 A Y T < 5 - 0 0 21 -3,-1.6 -3,-0.2 1,-0.3 3,-0.1 0.837 67.8 -68.3 54.6 34.7 -4.7 58.8 30.7 433 442 A E T 3 - 0 0 47 -3,-2.3 4,-1.6 -6,-0.3 -1,-0.2 -0.530 33.6-147.5 -72.4 128.7 -6.1 63.1 33.6 435 444 A T H > S+ 0 0 91 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.837 88.0 59.7 -73.8 -31.8 -5.1 66.0 35.8 436 445 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.967 111.3 37.2 -60.3 -56.7 -7.4 65.2 38.8 437 446 A P H > S+ 0 0 31 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.854 119.2 50.2 -67.4 -31.8 -6.0 61.7 39.6 438 447 A L H X S+ 0 0 29 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.935 110.2 49.1 -70.8 -42.5 -2.4 62.8 38.8 439 448 A D H X S+ 0 0 107 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.896 108.1 57.0 -57.6 -41.6 -2.7 65.9 41.0 440 449 A A H < S+ 0 0 37 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.872 114.4 35.9 -63.1 -37.4 -4.1 63.7 43.8 441 450 A V H >< S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.2 -2,-0.2 0.868 113.1 56.3 -84.4 -36.6 -1.0 61.4 43.7 442 451 A R H >< S+ 0 0 111 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.901 101.9 58.2 -61.0 -37.3 1.7 64.1 43.0 443 452 A S T 3< S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.665 102.2 56.6 -68.0 -12.8 0.5 66.0 46.1 444 453 A R T X S+ 0 0 51 -3,-1.3 3,-2.2 -4,-0.2 -34,-0.3 0.285 75.5 144.1-100.6 9.2 1.3 62.9 48.1 445 454 A I T < S+ 0 0 48 -3,-2.0 -34,-0.2 1,-0.2 3,-0.1 -0.205 71.6 15.3 -45.6 131.1 4.9 62.6 47.0 446 455 A G T 3 S+ 0 0 46 -36,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.251 100.7 115.7 88.6 -11.3 7.2 61.4 49.8 447 456 A Q S < S- 0 0 81 -3,-2.2 2,-0.8 -37,-0.1 -37,-0.5 -0.675 73.3-114.6 -93.3 142.8 4.3 60.1 52.0 448 457 A A - 0 0 57 -2,-0.3 2,-0.6 -39,-0.1 -39,-0.2 -0.654 32.0-157.0 -76.1 110.5 3.7 56.5 52.9 449 458 A I B -R 408 0E 0 -41,-2.8 -41,-2.5 -2,-0.8 -3,-0.0 -0.815 9.8-145.0 -94.7 118.8 0.5 55.6 51.1 450 459 A K > - 0 0 72 -2,-0.6 4,-2.9 -43,-0.2 5,-0.2 -0.321 28.7 -94.2 -82.7 167.4 -1.2 52.6 52.8 451 460 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.816 120.5 49.1 -55.1 -39.4 -3.2 49.9 51.0 452 461 A V H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.955 116.5 41.7 -66.6 -45.5 -6.7 51.4 51.4 453 462 A E H > S+ 0 0 50 1,-0.2 4,-2.8 -3,-0.2 6,-0.2 0.896 111.5 57.4 -66.1 -39.3 -5.6 54.9 50.2 454 463 A A H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 6,-0.8 0.906 109.9 43.8 -60.2 -44.0 -3.5 53.3 47.4 455 464 A E H ><5S+ 0 0 76 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.915 112.8 51.6 -67.4 -42.2 -6.6 51.5 46.0 456 465 A R H 3<5S+ 0 0 173 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.888 110.3 49.2 -62.3 -37.8 -8.8 54.6 46.4 457 466 A L T 3<5S- 0 0 19 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.560 115.2-119.3 -76.2 -10.4 -6.2 56.7 44.5 458 467 A G T < 5S+ 0 0 5 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.640 76.2 128.6 82.5 15.7 -6.1 54.1 41.8 459 468 A L S > - 0 0 73 -69,-0.2 4,-2.0 1,-0.1 3,-1.0 -0.185 37.7-102.5 -54.3 157.7 -7.6 41.7 53.0 466 475 A D T 34 S+ 0 0 101 -69,-0.3 4,-0.5 1,-0.3 -1,-0.1 0.717 122.4 52.5 -69.8 -17.9 -5.3 39.1 54.4 467 476 A I T 34 S+ 0 0 129 1,-0.1 4,-0.3 2,-0.1 -1,-0.3 0.686 116.4 40.3 -86.1 -13.7 -8.0 36.4 54.4 468 477 A D T <> S+ 0 0 84 -3,-1.0 4,-2.1 2,-0.1 5,-0.2 0.663 97.5 81.2 -98.9 -20.2 -8.7 37.1 50.7 469 478 A W H X S+ 0 0 34 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.925 86.5 50.0 -54.9 -58.7 -5.1 37.6 49.5 470 479 A A H > S+ 0 0 66 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.916 117.0 39.4 -53.8 -49.8 -3.8 34.0 49.1 471 480 A D H > S+ 0 0 94 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.892 115.4 51.5 -68.5 -39.6 -6.7 32.8 46.9 472 481 A E H X S+ 0 0 75 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.939 116.2 39.7 -66.7 -43.5 -7.1 36.0 44.9 473 482 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.942 116.2 50.9 -71.4 -45.4 -3.4 36.2 43.9 474 483 A R H X S+ 0 0 102 -4,-2.4 4,-2.5 -5,-0.4 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1,-0.2 5,-0.3 0.850 88.2 60.6 -70.9 -34.5 3.9 73.5 4.3 985 445 B E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.974 111.6 36.0 -59.6 -53.9 6.2 74.2 1.3 986 446 B P H > S+ 0 0 31 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.897 119.6 50.3 -70.4 -32.0 4.9 71.4 -1.0 987 447 B L H X S+ 0 0 25 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.907 110.3 49.2 -68.3 -40.2 1.3 71.7 0.2 988 448 B D H X S+ 0 0 82 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.889 108.4 55.9 -63.0 -38.8 1.3 75.5 -0.4 989 449 B A H < S+ 0 0 29 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.920 113.3 38.4 -62.2 -45.0 2.7 75.0 -3.9 990 450 B V H >< S+ 0 0 0 -4,-1.8 3,-1.0 2,-0.2 -2,-0.2 0.879 112.0 57.1 -76.8 -33.4 -0.1 72.6 -4.9 991 451 B R H >< S+ 0 0 122 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.914 102.3 57.0 -60.0 -39.5 -2.8 74.6 -3.1 992 452 B S T 3< S+ 0 0 94 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.748 106.2 52.2 -59.1 -25.2 -1.7 77.6 -5.2 993 453 B R T X S+ 0 0 67 -3,-1.0 3,-2.3 -4,-0.5 -34,-0.4 0.218 74.7 143.7-101.9 12.0 -2.4 75.5 -8.3 994 454 B I T < S+ 0 0 44 -3,-1.8 -34,-0.2 1,-0.3 3,-0.1 -0.247 74.0 16.6 -50.2 132.9 -6.0 74.4 -7.5 995 455 B G T 3 S+ 0 0 50 -36,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.243 97.4 121.5 86.1 -12.7 -8.0 74.2 -10.6 996 456 B Q S < S- 0 0 104 -3,-2.3 2,-1.2 1,-0.1 -37,-0.5 -0.589 71.1-117.4 -84.3 145.9 -5.0 74.3 -13.0 997 457 B A - 0 0 64 -2,-0.2 2,-0.6 -39,-0.1 -39,-0.2 -0.694 34.0-157.6 -80.7 96.5 -4.5 71.4 -15.4 998 458 B I B -J 957 0J 6 -41,-2.6 -41,-2.5 -2,-1.2 -3,-0.0 -0.683 8.5-147.7 -83.1 119.7 -1.1 70.1 -14.1 999 459 B K > - 0 0 76 -2,-0.6 4,-2.9 -43,-0.2 5,-0.2 -0.299 28.0 -91.3 -89.1 171.3 0.7 68.3 -16.9 1000 460 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.847 119.5 45.1 -55.9 -47.2 3.0 65.3 -16.4 1001 461 B V H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.947 118.6 43.8 -63.8 -45.6 6.5 66.9 -16.1 1002 462 B E H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 6,-0.2 0.878 109.9 56.3 -65.2 -39.4 5.1 69.5 -13.7 1003 463 B A H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 6,-0.7 0.926 110.5 45.3 -59.9 -43.3 3.1 67.0 -11.7 1004 464 B E H ><5S+ 0 0 74 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.916 111.1 53.0 -64.0 -42.1 6.3 65.0 -11.2 1005 465 B R H 3<5S+ 0 0 142 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.897 109.6 48.5 -62.5 -39.0 8.3 68.2 -10.2 1006 466 B L T 3<5S- 0 0 17 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.478 116.1-117.1 -78.0 -5.3 5.7 69.1 -7.6 1007 467 B G T < 5S+ 0 0 5 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.638 77.9 127.6 79.7 15.2 5.8 65.5 -6.2 1008 468 B L S - 0 0 47 -69,-0.2 4,-2.6 1,-0.1 -67,-0.2 -0.113 35.7 -86.9 -76.9-178.2 7.5 59.2 -21.6 1015 475 B D T 4 S+ 0 0 86 -69,-0.3 4,-0.4 1,-0.2 -68,-0.1 0.689 127.9 50.2 -71.4 -16.6 6.0 57.1 -24.5 1016 476 B I T 4 S+ 0 0 128 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.875 120.1 33.2 -84.9 -38.0 9.3 55.3 -25.0 1017 477 B D T > S+ 0 0 85 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.711 99.7 83.2 -88.8 -22.2 9.8 54.4 -21.3 1018 478 B W H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.890 85.2 50.6 -56.4 -55.5 6.2 53.9 -20.3 1019 479 B A H > S+ 0 0 63 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.914 117.3 37.7 -54.5 -50.9 5.4 50.3 -21.4 1020 480 B D H > S+ 0 0 87 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.880 115.1 53.5 -70.5 -38.8 8.4 48.7 -19.8 1021 481 B E H X S+ 0 0 73 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.945 116.8 37.3 -64.6 -44.9 8.4 50.8 -16.6 1022 482 B I H X S+ 0 0 11 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.925 117.7 50.1 -73.8 -44.9 4.8 50.0 -15.8 1023 483 B R H X S+ 0 0 107 -4,-2.6 4,-2.7 -5,-0.4 -2,-0.2 0.936 112.7 47.2 -57.5 -45.4 4.9 46.4 -17.0 1024 484 B I H X S+ 0 0 69 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.920 110.3 51.7 -66.6 -44.2 8.0 45.6 -15.0 1025 485 B A H X S+ 0 0 4 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.900 113.4 45.6 -55.7 -41.5 6.6 47.3 -11.8 1026 486 B L H X S+ 0 0 23 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.876 111.4 51.5 -73.4 -36.8 3.4 45.2 -12.2 1027 487 B E H X S+ 0 0 99 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.923 110.8 48.9 -61.5 -44.2 5.4 42.0 -12.8 1028 488 B E H X S+ 0 0 78 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.903 107.9 55.0 -63.1 -38.1 7.5 42.7 -9.7 1029 489 B R H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 111.4 44.3 -62.5 -34.8 4.3 43.3 -7.7 1030 490 B A H < S+ 0 0 25 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.752 113.6 50.8 -80.5 -25.6 3.0 39.9 -8.8 1031 491 B A H < S+ 0 0 66 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.705 93.9 84.3 -86.0 -25.2 6.3 38.1 -8.1 1032 492 B M S < S- 0 0 19 -4,-1.8 -872,-0.0 -5,-0.2 -870,-0.0 -0.324 96.9 -84.2 -76.7 162.9 6.9 39.4 -4.6 1033 493 B S > - 0 0 1 -873,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.502 29.9-145.6 -65.7 125.7 5.4 37.8 -1.5 1034 494 B P H > S+ 0 0 8 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 99.4 58.5 -59.7 -31.4 1.9 39.1 -0.9 1035 495 B D H > S+ 0 0 1 -492,-0.3 4,-2.0 1,-0.2 5,-0.2 0.932 108.7 43.7 -62.5 -45.2 2.5 38.9 2.9 1036 496 B A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 112.8 52.1 -69.8 -36.9 5.5 41.2 2.6 1037 497 B L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.930 109.5 48.0 -66.2 -44.5 3.7 43.6 0.3 1038 498 B T H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.929 114.2 47.5 -64.1 -40.0 0.7 44.0 2.6 1039 499 B G H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.902 112.7 48.7 -65.0 -40.5 2.9 44.5 5.6 1040 500 B L H >X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.9 0.957 111.7 49.3 -63.8 -48.7 5.0 47.1 3.7 1041 501 B E H 3X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.3 5,-0.4 0.875 105.3 57.4 -58.1 -38.8 1.9 48.9 2.5 1042 502 B A H 3< S+ 0 0 15 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.3 0.735 115.0 38.8 -66.4 -24.7 0.5 49.0 6.0 1043 503 B N H << S+ 0 0 3 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.821 117.1 45.7 -91.8 -38.4 3.6 50.8 7.2 1044 504 B L H < S+ 0 0 1 -4,-2.9 3,-0.3 1,-0.2 -3,-0.2 0.866 113.6 47.6 -75.0 -36.5 4.3 53.1 4.2 1045 505 B R S < S+ 0 0 5 -4,-2.3 2,-1.2 -5,-0.3 -1,-0.2 0.859 110.2 54.4 -71.2 -32.7 0.8 54.4 3.8 1046 506 B F S S+ 0 0 7 -5,-0.4 -1,-0.2 -4,-0.3 -870,-0.1 -0.662 76.4 165.8-100.6 74.1 0.5 55.1 7.5 1047 507 B N - 0 0 2 -2,-1.2 -1,-0.1 -3,-0.3 -867,-0.1 0.167 59.7 -29.0 -92.3 17.2 3.6 57.2 7.5 1048 508 B G S S+ 0 0 18 1,-0.4 -2,-0.1 -546,-0.0 -871,-0.1 -0.274 102.6 70.3-179.2 -82.6 3.4 59.0 10.9 1049 509 B P - 0 0 52 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.300 53.2-157.4 -71.9 142.8 0.3 60.0 12.9 1050 510 B E + 0 0 35 -549,-0.2 2,-0.2 -3,-0.1 -549,-0.2 -0.890 11.8 177.0-115.3 154.6 -1.9 57.4 14.7 1051 511 B T > - 0 0 20 -2,-0.3 4,-2.2 -551,-0.1 5,-0.2 -0.775 52.0 -84.9-137.7 179.0 -5.5 57.7 15.8 1052 512 B M H > S+ 0 0 28 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.920 129.8 48.1 -56.5 -39.3 -8.0 55.4 17.4 1053 513 B E H > S+ 0 0 12 -83,-0.3 4,-2.2 2,-0.2 5,-0.2 0.904 109.5 49.3 -76.0 -37.2 -8.8 54.1 13.9 1054 514 B T H > S+ 0 0 0 -84,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.862 111.2 52.6 -66.7 -31.5 -5.3 53.5 12.8 1055 515 B R H <>S+ 0 0 2 -4,-2.2 5,-2.8 2,-0.2 6,-0.5 0.889 106.5 52.6 -67.1 -39.0 -4.7 51.7 16.1 1056 516 B I H <>S+ 0 0 0 -4,-2.1 5,-1.7 1,-0.2 -337,-0.2 0.955 119.0 34.8 -59.8 -46.8 -7.7 49.5 15.4 1057 517 B F H <5S+ 0 0 18 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.648 131.8 31.8 -81.7 -14.1 -6.3 48.5 12.0 1058 518 B G T X5S+ 0 0 0 -4,-1.3 4,-3.0 -5,-0.2 5,-0.4 0.714 125.8 19.4-107.9 -96.8 -2.7 48.6 13.2 1059 519 B R H >5S+ 0 0 6 -5,-0.2 4,-1.1 1,-0.2 -3,-0.2 0.870 133.6 38.7 -46.8 -49.1 -1.6 47.7 16.7 1060 520 B L H >< S+ 0 0 5 -4,-1.9 3,-0.9 2,-0.2 -1,-0.2 0.927 113.7 47.4 -62.8 -42.7 -0.7 36.9 14.2 1067 527 B I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 6,-0.5 0.931 107.9 56.5 -63.0 -43.7 -2.8 35.2 16.9 1068 528 B F H 3< S+ 0 0 5 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.617 103.5 54.8 -62.1 -18.0 -5.3 34.0 14.2 1069 529 B N T << S+ 0 0 47 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.182 95.4 84.0-104.5 17.9 -2.5 32.2 12.3 1070 530 B R S X> S- 0 0 17 -3,-1.6 4,-2.3 1,-0.1 3,-0.9 -0.890 80.9-119.5-126.3 153.1 -1.3 30.1 15.1 1071 531 B P H 3> S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 19,-0.1 0.736 102.1 70.8 -68.3 -24.7 -2.4 26.8 16.5 1072 532 B N H 34 S+ 0 0 4 1,-0.2 7,-2.6 2,-0.2 8,-0.2 0.905 117.1 24.4 -58.1 -37.6 -3.3 27.9 20.1 1073 533 B A H <4 S+ 0 0 0 -3,-0.9 7,-1.8 -6,-0.5 8,-0.4 0.888 140.9 20.1 -89.4 -44.1 -6.3 29.7 18.6 1074 534 B V H < S+ 0 0 37 -4,-2.3 -2,-0.2 -7,-0.3 -6,-0.1 0.415 90.9 113.4-115.1 1.3 -7.0 27.9 15.3 1075 535 B G S >< S- 0 0 17 -4,-2.0 3,-2.0 -5,-0.3 6,-0.4 -0.171 81.9-101.6 -72.3 167.5 -5.4 24.4 15.6 1076 536 B E T 3 S+ 0 0 147 1,-0.3 -1,-0.1 5,-0.1 -4,-0.0 0.809 128.0 35.5 -62.8 -26.1 -7.4 21.3 15.7 1077 537 B K T 3 S+ 0 0 127 -6,-0.1 13,-2.8 13,-0.1 -1,-0.3 0.171 102.2 116.2-107.9 14.7 -6.9 21.1 19.5 1078 538 B G S <> S- 0 0 0 -3,-2.0 4,-2.0 11,-0.2 -5,-0.2 -0.098 81.0 -91.6 -84.5-178.8 -7.0 24.9 19.9 1079 539 B A T 4 S+ 0 0 5 -7,-2.6 4,-0.5 1,-0.2 -366,-0.2 0.876 119.3 46.6 -64.5 -43.2 -9.4 27.2 21.7 1080 540 B L T >4 S+ 0 0 5 -7,-1.8 3,-0.9 -368,-0.4 -1,-0.2 0.932 114.6 46.0 -66.4 -42.7 -11.9 27.9 18.9 1081 541 B K T 34 S+ 0 0 55 -6,-0.4 -2,-0.2 -8,-0.4 -1,-0.2 0.812 109.8 52.4 -78.0 -26.6 -12.3 24.3 17.8 1082 542 B V T >< S+ 0 0 22 -4,-2.0 3,-2.5 2,-0.1 5,-0.5 0.532 78.6 130.0 -79.2 -7.8 -12.7 22.8 21.3 1083 543 B Y T < S+ 0 0 85 -3,-0.9 -3,-0.0 -4,-0.5 -371,-0.0 -0.259 80.7 3.1 -54.9 127.7 -15.5 25.3 22.1 1084 544 B G T 3 S+ 0 0 72 3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.371 103.2 103.9 81.9 -3.2 -18.6 23.4 23.4 1085 545 B K S < S- 0 0 145 -3,-2.5 -2,-0.1 2,-0.2 3,-0.1 0.608 85.2-124.8 -88.8 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158.6 6.0 33.2 24.8 1096 556 B V 0 0 22 -2,-0.2 -730,-0.3 -611,-0.2 -1,-0.1 0.491 360.0 360.0-128.1 360.0 7.2 35.0 21.6