==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 06-OCT-00 1G0O . COMPND 2 MOLECULE: TRIHYDROXYNAPHTHALENE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MAGNAPORTHE GRISEA; . AUTHOR D.LIAO,G.S.BASARAB,A.A.GATENBY,B.VALENT,D.B.JORDAN . 1106 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 826 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 57 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 390 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 4 0 0 0 0 8 8 7 1 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 12 A K > 0 0 196 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.5 25.4 50.9 46.0 2 13 A Y T 3 + 0 0 27 1,-0.2 509,-0.1 508,-0.1 508,-0.0 0.385 360.0 70.7 -80.1 2.1 22.8 53.5 45.1 3 14 A D T 3 + 0 0 102 2,-0.1 -1,-0.2 510,-0.0 2,-0.2 0.447 69.8 118.8 -95.1 -4.6 20.1 51.1 46.4 4 15 A A < - 0 0 69 -3,-0.9 509,-0.0 1,-0.1 0, 0.0 -0.462 68.0-124.4 -67.7 130.0 21.1 51.6 50.0 5 16 A I - 0 0 84 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.617 20.4-132.8 -76.1 125.4 18.4 53.0 52.2 6 17 A P - 0 0 31 0, 0.0 251,-0.1 0, 0.0 -1,-0.1 -0.704 67.6 -23.3 -82.8 113.5 19.6 56.2 53.9 7 18 A G S S- 0 0 41 -2,-0.7 2,-0.1 2,-0.0 6,-0.1 -0.066 103.1 -29.6 80.2 179.8 18.7 56.0 57.6 8 19 A P - 0 0 60 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.386 51.3-128.1 -78.5 145.1 15.9 54.0 59.3 9 20 A L S S+ 0 0 80 -2,-0.1 3,-0.4 3,-0.1 301,-0.0 -0.480 75.9 26.9 -79.0 155.8 12.6 52.9 57.8 10 21 A G S > S- 0 0 4 1,-0.2 3,-1.9 -2,-0.1 4,-0.1 -0.155 118.0 -34.7 86.2-177.3 9.6 53.8 60.0 11 22 A P G > S+ 0 0 74 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.638 118.3 79.3 -54.4 -24.1 9.0 56.6 62.6 12 23 A Q G > S+ 0 0 130 -3,-0.4 3,-1.5 1,-0.3 242,-0.2 0.758 78.8 72.6 -59.0 -24.9 12.6 56.6 63.8 13 24 A S G < S+ 0 0 1 -3,-1.9 242,-1.2 1,-0.3 241,-1.0 0.673 93.9 53.5 -64.1 -18.7 13.5 58.7 60.7 14 25 A A G < S+ 0 0 15 -3,-2.0 -1,-0.3 240,-0.2 -2,-0.2 0.496 86.8 116.3 -91.8 -8.9 11.7 61.7 62.4 15 26 A S < - 0 0 35 -3,-1.5 239,-0.4 -4,-0.3 27,-0.1 -0.339 40.6-177.9 -67.5 140.3 13.8 61.3 65.6 16 27 A L > + 0 0 1 25,-1.2 3,-2.0 237,-0.1 -1,-0.1 0.132 33.4 147.2-118.9 17.0 16.2 64.1 66.7 17 28 A E T 3 S+ 0 0 137 1,-0.3 26,-0.2 26,-0.1 25,-0.1 -0.292 71.7 6.7 -57.7 126.5 17.3 62.1 69.7 18 29 A G T 3 S+ 0 0 42 24,-1.7 -1,-0.3 1,-0.3 25,-0.2 0.394 95.9 130.8 82.7 -4.4 21.0 62.8 70.5 19 30 A K < - 0 0 85 -3,-2.0 25,-2.7 23,-0.1 2,-0.5 -0.431 50.6-137.8 -80.2 157.8 21.4 65.6 68.0 20 31 A V E -a 44 0A 2 23,-0.2 78,-2.9 -2,-0.1 79,-2.1 -0.980 23.7-174.8-118.0 123.1 23.0 68.9 68.9 21 32 A A E -ab 45 99A 0 23,-2.8 25,-2.9 -2,-0.5 2,-0.4 -0.875 15.6-156.9-120.6 150.0 21.4 72.1 67.5 22 33 A L E -ab 46 100A 0 77,-2.3 79,-2.8 -2,-0.3 2,-0.4 -0.991 11.3-169.7-122.4 131.4 22.3 75.8 67.6 23 34 A V E > -ab 47 101A 0 23,-2.5 25,-2.4 -2,-0.4 3,-0.8 -0.990 15.5-139.1-125.1 123.4 19.6 78.4 67.1 24 35 A T T 3 S+ 0 0 0 77,-2.5 79,-0.2 -2,-0.4 25,-0.1 -0.634 88.1 11.4 -82.4 137.0 20.4 82.1 66.6 25 36 A G T > S+ 0 0 21 -2,-0.3 3,-0.6 78,-0.1 6,-0.4 0.885 79.5 149.2 66.1 40.9 18.1 84.5 68.4 26 37 A A T < + 0 0 0 22,-2.1 23,-0.2 -3,-0.8 10,-0.1 0.333 44.0 91.1 -87.9 5.5 16.5 81.7 70.5 27 38 A G T 3 S- 0 0 3 21,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.771 101.9 -7.3 -70.4 -24.8 15.8 83.9 73.5 28 39 A R S X> S+ 0 0 123 -3,-0.6 4,-1.3 31,-0.0 3,-0.5 -0.934 105.1 20.5-159.0 175.4 12.3 84.8 72.2 29 40 A G H 3> S- 0 0 25 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 -0.153 117.1 -15.4 61.0-144.5 9.9 84.6 69.3 30 41 A I H 3> S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 137.2 56.2 -60.0 -42.9 10.2 81.9 66.6 31 42 A G H <> S+ 0 0 0 -3,-0.5 4,-2.4 -6,-0.4 -5,-0.3 0.887 104.5 53.7 -56.9 -42.1 13.8 81.1 67.6 32 43 A R H X S+ 0 0 71 -4,-1.3 4,-2.5 -7,-0.4 -1,-0.2 0.939 110.8 45.0 -59.8 -47.4 12.6 80.4 71.2 33 44 A E H X S+ 0 0 36 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.812 109.2 55.6 -68.0 -31.0 10.0 77.9 70.0 34 45 A M H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.954 110.8 46.4 -63.3 -46.6 12.5 76.3 67.6 35 46 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 113.9 47.8 -58.7 -48.6 14.8 75.7 70.6 36 47 A M H X S+ 0 0 16 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.921 115.4 43.7 -60.0 -48.7 11.9 74.4 72.7 37 48 A E H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.908 111.5 51.7 -68.1 -43.4 10.6 72.0 70.1 38 49 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.2 3,-0.3 0.934 112.7 49.6 -57.3 -42.6 14.0 70.7 69.0 39 50 A G H ><5S+ 0 0 2 -4,-2.2 3,-2.1 -5,-0.3 -2,-0.2 0.924 106.2 53.1 -61.3 -47.7 14.6 70.0 72.7 40 51 A R H 3<5S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.2 55.5 -58.5 -27.1 11.3 68.2 73.2 41 52 A R T 3<5S- 0 0 9 -4,-1.5 -25,-1.2 -3,-0.3 -1,-0.3 0.277 132.1 -88.7 -90.2 8.9 12.4 66.0 70.3 42 53 A G T < 5S+ 0 0 8 -3,-2.1 -24,-1.7 1,-0.3 2,-0.2 0.434 80.1 137.2 103.3 -0.5 15.6 65.0 71.9 43 54 A C < - 0 0 0 -5,-2.4 2,-0.4 -26,-0.2 -1,-0.3 -0.555 51.7-133.8 -82.1 144.3 18.1 67.6 70.8 44 55 A K E -a 20 0A 84 -25,-2.7 -23,-2.8 -2,-0.2 2,-0.4 -0.783 37.4-148.2 -86.3 138.4 20.7 69.3 73.1 45 56 A V E -ac 21 70A 0 24,-2.0 26,-2.0 -2,-0.4 2,-0.7 -0.949 21.6-153.5-124.6 132.6 20.3 73.0 72.2 46 57 A I E -ac 22 71A 0 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.8 -0.886 21.2-153.3 -98.6 111.5 22.6 76.0 72.1 47 58 A V E -ac 23 72A 0 24,-3.3 26,-2.0 -2,-0.7 2,-0.3 -0.810 10.5-163.0 -89.5 102.9 20.5 79.1 72.7 48 59 A N E + c 0 73A 1 -25,-2.4 -22,-2.1 -2,-0.8 -21,-0.6 -0.637 14.8 167.5 -87.1 148.2 22.1 82.1 71.0 49 60 A Y E - c 0 74A 29 24,-1.5 26,-2.4 -2,-0.3 4,-0.0 -0.964 27.6-163.6-151.9 158.9 21.0 85.6 72.0 50 61 A A S S- 0 0 35 -2,-0.3 26,-0.1 24,-0.2 -1,-0.1 0.724 90.1 -6.6-112.4 -42.6 22.3 89.2 71.4 51 62 A N S S+ 0 0 143 24,-0.1 2,-2.3 1,-0.1 3,-0.2 0.677 109.0 85.7-123.5 -43.2 20.5 91.2 74.0 52 63 A S > + 0 0 34 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.375 46.4 156.0 -71.4 69.7 17.8 89.1 75.8 53 64 A T H > S+ 0 0 53 -2,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.909 70.9 43.9 -62.1 -52.4 20.0 87.6 78.5 54 65 A E H > S+ 0 0 139 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 114.7 50.7 -62.7 -43.6 17.4 86.7 81.1 55 66 A S H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.905 108.8 51.9 -60.5 -42.9 15.0 85.3 78.5 56 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.908 108.2 51.2 -61.7 -42.3 17.8 83.1 77.1 57 68 A E H X S+ 0 0 109 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.888 108.8 52.2 -62.0 -38.0 18.5 81.8 80.5 58 69 A E H X S+ 0 0 89 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.884 108.4 50.1 -65.4 -41.1 14.8 81.0 80.9 59 70 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 109.8 50.7 -63.0 -47.1 14.7 79.1 77.6 60 71 A V H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.923 112.2 47.3 -57.1 -45.2 17.8 77.0 78.6 61 72 A A H X S+ 0 0 58 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 111.0 51.8 -65.0 -38.2 16.2 76.1 82.0 62 73 A A H X S+ 0 0 28 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.865 108.3 51.0 -66.6 -37.0 12.9 75.2 80.2 63 74 A I H <>S+ 0 0 1 -4,-2.4 5,-1.8 2,-0.2 4,-0.3 0.928 110.7 48.1 -67.2 -43.5 14.6 72.9 77.8 64 75 A K H ><5S+ 0 0 113 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.931 108.3 55.3 -61.4 -44.0 16.4 71.1 80.7 65 76 A K H 3<5S+ 0 0 189 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 104.9 54.4 -59.1 -31.8 13.1 70.8 82.5 66 77 A N T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.493 130.1 -92.9 -81.5 -4.2 11.7 69.1 79.4 67 78 A G T < 5S+ 0 0 65 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.612 90.7 97.6 106.8 11.8 14.4 66.5 79.5 68 79 A S < - 0 0 16 -5,-1.8 -1,-0.3 -23,-0.0 -2,-0.2 -0.959 69.8-110.1-131.0 153.1 17.2 67.8 77.2 69 80 A D + 0 0 70 -2,-0.3 -24,-2.0 -27,-0.1 2,-0.3 -0.421 39.3 173.2 -80.9 153.0 20.5 69.6 77.8 70 81 A A E -c 45 0A 3 -26,-0.2 2,-0.3 -2,-0.1 -24,-0.2 -0.976 13.8-178.2-154.5 160.5 20.8 73.2 76.8 71 82 A A E -c 46 0A 22 -26,-2.0 -24,-3.3 -2,-0.3 2,-0.3 -0.961 20.9-128.9-158.0 152.9 23.3 76.2 77.1 72 83 A C E -c 47 0A 47 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.845 14.8-168.4-113.2 150.6 23.3 79.8 75.9 73 84 A V E -c 48 0A 4 -26,-2.0 -24,-1.5 -2,-0.3 2,-0.4 -0.987 16.8-137.5-139.0 124.7 25.9 81.8 74.0 74 85 A K E +c 49 0A 112 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.690 39.5 142.8 -85.8 133.5 25.9 85.5 73.5 75 86 A A - 0 0 1 -26,-2.4 2,-0.6 -2,-0.4 -24,-0.1 -0.897 42.3-137.7-170.9 136.4 26.7 86.8 70.0 76 87 A N > - 0 0 71 -2,-0.3 3,-1.8 3,-0.1 7,-0.3 -0.908 13.2-151.5-100.3 117.7 25.6 89.6 67.7 77 88 A V T 3 S+ 0 0 9 -2,-0.6 56,-0.2 1,-0.3 -1,-0.1 0.554 91.4 72.1 -69.8 -6.2 25.3 88.4 64.1 78 89 A G T 3 S+ 0 0 18 1,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.527 93.4 64.4 -81.8 -7.3 26.1 91.8 62.7 79 90 A V X> - 0 0 45 -3,-1.8 4,-1.6 1,-0.1 3,-0.8 -0.939 69.3-161.8-119.8 107.5 29.7 91.1 63.9 80 91 A V H 3> S+ 0 0 5 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.892 92.2 59.1 -55.2 -41.8 31.4 88.2 62.1 81 92 A E H 3> S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.873 104.9 51.7 -55.7 -39.2 34.0 87.9 64.8 82 93 A D H <> S+ 0 0 44 -3,-0.8 4,-2.6 -6,-0.3 -1,-0.2 0.895 108.8 50.0 -63.0 -43.9 31.2 87.2 67.2 83 94 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 -7,-0.3 -2,-0.2 0.919 110.9 49.2 -61.6 -44.4 29.7 84.5 64.9 84 95 A V H X S+ 0 0 36 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.942 113.7 45.9 -59.3 -50.0 33.2 82.8 64.7 85 96 A R H X S+ 0 0 78 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.887 108.9 56.2 -61.0 -42.5 33.6 82.9 68.5 86 97 A M H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.908 109.0 46.1 -57.5 -46.8 30.1 81.6 69.1 87 98 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.913 111.0 51.4 -66.1 -40.4 30.6 78.5 67.0 88 99 A E H X S+ 0 0 98 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.921 115.0 43.7 -61.5 -41.8 34.0 77.8 68.5 89 100 A E H >X S+ 0 0 76 -4,-2.6 4,-1.3 1,-0.2 3,-0.6 0.927 110.0 57.8 -66.3 -45.8 32.3 78.0 72.0 90 101 A A H >X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 3,-0.6 0.895 103.8 49.7 -52.6 -49.3 29.3 76.0 70.8 91 102 A V H 3X S+ 0 0 36 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.770 107.8 54.8 -66.3 -24.9 31.3 72.9 69.8 92 103 A K H << S+ 0 0 174 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.780 102.3 59.6 -76.0 -29.4 33.2 72.9 73.1 93 104 A I H << S+ 0 0 67 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.1 0.968 129.4 4.9 -64.2 -55.3 29.9 72.8 75.0 94 105 A F H < S- 0 0 33 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.402 98.4-116.8-113.2 0.5 28.4 69.6 73.6 95 106 A G S < S+ 0 0 59 -4,-1.3 2,-0.3 -5,-0.3 -4,-0.1 0.248 84.5 29.4 87.5 -15.0 31.4 68.4 71.4 96 107 A K - 0 0 74 -6,-0.2 2,-0.4 -75,-0.0 -2,-0.2 -0.961 64.4-133.1-163.2 173.0 29.6 68.5 68.0 97 108 A L + 0 0 0 44,-0.4 46,-2.4 -2,-0.3 -76,-0.2 -0.975 22.8 165.4-142.6 120.9 27.0 70.3 66.0 98 109 A D + 0 0 14 -78,-2.9 49,-2.0 -2,-0.4 2,-0.4 0.715 69.2 30.6-103.5 -31.2 24.4 68.5 63.9 99 110 A I E -bd 21 147A 1 -79,-2.1 -77,-2.3 47,-0.2 2,-0.4 -0.996 55.7-170.9-137.9 134.3 21.8 71.3 63.2 100 111 A V E -bd 22 148A 0 47,-2.2 49,-2.6 -2,-0.4 2,-0.6 -0.995 4.7-166.5-128.3 124.1 22.1 75.1 62.8 101 112 A C E -bd 23 149A 0 -79,-2.8 -77,-2.5 -2,-0.4 2,-1.1 -0.955 8.5-156.7-111.8 107.1 18.9 77.2 62.6 102 113 A S E + d 0 150A 3 47,-2.7 49,-0.8 -2,-0.6 -79,-0.1 -0.787 39.2 141.4 -85.1 99.4 19.8 80.8 61.4 103 114 A N + 0 0 19 -2,-1.1 -1,-0.2 -79,-0.2 -78,-0.1 0.699 19.1 117.6-115.1 -29.8 16.8 82.6 62.8 104 115 A S + 0 0 23 -3,-0.2 2,-0.3 26,-0.1 47,-0.1 -0.065 39.9 143.2 -45.9 137.5 17.9 86.1 64.1 105 116 A G - 0 0 29 -80,-0.1 2,-0.3 25,-0.0 18,-0.0 -0.982 37.2-144.7-173.1 161.9 16.3 89.0 62.3 106 117 A V - 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0 0 11 43,-0.2 3,-2.0 18,-0.2 4,-0.3 -0.955 29.0-104.1-172.4 158.0 9.7 85.2 54.9 154 165 A I G >> S+ 0 0 18 43,-2.3 4,-1.4 -2,-0.3 3,-1.4 0.780 115.2 74.1 -60.3 -23.6 6.6 85.3 52.8 155 166 A T G 34 S+ 0 0 2 42,-0.3 -1,-0.3 1,-0.3 17,-0.1 0.708 75.8 75.3 -64.9 -20.3 7.9 88.8 51.9 156 167 A G G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.873 118.1 15.9 -59.2 -32.4 10.6 87.3 49.7 157 168 A Q T <4 S+ 0 0 98 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.483 95.6 128.2-118.4 -8.1 7.8 86.7 47.2 158 169 A A < - 0 0 5 -4,-1.4 -3,-0.0 1,-0.1 113,-0.0 -0.157 36.7-166.8 -55.9 144.3 4.9 88.9 48.4 159 170 A K S S+ 0 0 61 1,-0.1 -1,-0.1 858,-0.0 -4,-0.0 0.460 74.4 43.7-115.2 -0.3 3.3 91.2 45.8 160 171 A A S S+ 0 0 53 112,-2.3 -1,-0.1 2,-0.1 666,-0.1 0.274 71.5 111.4-132.0 13.4 1.1 93.6 47.8 161 172 A V - 0 0 7 111,-0.1 3,-0.4 -6,-0.1 859,-0.1 -0.806 55.4-150.5 -90.9 112.8 3.0 94.8 50.9 162 173 A P S S+ 0 0 49 0, 0.0 -52,-0.1 0, 0.0 856,-0.1 -0.394 70.7 19.8 -80.4 158.2 3.8 98.5 50.5 163 174 A K S S+ 0 0 100 854,-0.3 -53,-2.6 -54,-0.1 -52,-0.1 0.873 95.2 106.6 55.3 47.0 6.8 100.4 52.0 164 175 A H > + 0 0 2 -3,-0.4 4,-2.3 -55,-0.2 5,-0.3 0.190 25.8 119.2-139.6 17.9 8.7 97.1 52.5 165 176 A A H > S+ 0 0 2 -55,-0.4 4,-2.6 852,-0.2 5,-0.2 0.883 77.4 50.2 -60.5 -41.2 11.5 96.9 49.9 166 177 A V H > S+ 0 0 5 -56,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.976 116.7 36.9 -62.6 -57.6 14.4 96.7 52.4 167 178 A Y H > S+ 0 0 17 -59,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.920 118.9 50.0 -62.3 -45.7 13.1 93.9 54.6 168 179 A S H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.952 112.1 48.2 -58.8 -48.6 11.5 92.0 51.8 169 180 A G H 3X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.868 106.3 56.3 -60.4 -38.4 14.8 92.2 49.8 170 181 A S H 3< S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.816 114.5 41.1 -63.9 -27.4 16.9 91.1 52.8 171 182 A K H XX S+ 0 0 6 -4,-1.4 4,-0.7 -3,-0.7 3,-0.6 0.811 107.5 58.3 -88.5 -37.2 14.7 88.0 52.9 172 183 A G H >X S+ 0 0 4 -4,-2.5 4,-1.1 1,-0.2 3,-0.9 0.871 99.3 61.3 -61.5 -36.3 14.4 87.2 49.2 173 184 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.833 94.8 63.1 -59.5 -31.5 18.2 87.0 49.1 174 185 A I H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.837 95.9 57.6 -64.7 -34.2 18.0 84.1 51.5 175 186 A E H < S+ 0 0 28 -4,-0.7 3,-0.7 -3,-0.3 4,-0.2 0.990 116.7 38.4 -70.1 -58.1 25.5 72.9 46.2 184 195 A D H >< S+ 0 0 5 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.914 116.9 49.3 -58.6 -51.8 28.7 73.9 48.1 185 196 A M H ><>S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.3 5,-1.8 0.646 90.3 80.7 -68.4 -14.1 27.6 72.4 51.5 186 197 A A G X<5S+ 0 0 1 -3,-0.7 3,-1.6 -4,-0.6 -1,-0.3 0.657 74.1 77.3 -65.7 -16.1 26.7 69.1 49.9 187 198 A D G < 5S+ 0 0 91 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.608 103.1 37.6 -70.1 -8.6 30.4 68.2 49.9 188 199 A K G < 5S- 0 0 38 -3,-1.9 -43,-2.4 2,-0.1 -42,-0.5 0.060 122.8-109.2-121.5 16.8 29.9 67.5 53.6 189 200 A K T < 5 + 0 0 85 -3,-1.6 2,-0.4 -45,-0.2 -3,-0.2 0.793 68.7 151.5 57.2 32.5 26.4 66.0 52.9 190 201 A I < - 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0 0 42 -3,-1.6 -9,-0.1 1,-0.1 2,-0.1 -0.376 62.3-121.7 -66.1 142.2 -7.2 98.2 65.0 220 231 A S > - 0 0 43 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.337 30.4-102.4 -75.4 167.1 -7.3 96.7 68.5 221 232 A N H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.856 125.7 52.1 -60.2 -31.3 -5.0 93.7 69.1 222 233 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 109.1 47.4 -71.5 -42.3 -8.2 91.5 68.8 223 234 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.846 108.8 56.8 -67.6 -33.7 -9.2 93.0 65.5 224 235 A V H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.944 109.2 44.2 -63.2 -47.3 -5.6 92.5 64.3 225 236 A D H X S+ 0 0 16 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.863 112.2 52.8 -64.7 -39.3 -5.7 88.8 65.0 226 237 A E H X S+ 0 0 74 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.910 111.6 46.8 -62.9 -41.2 -9.1 88.5 63.5 227 238 A Y H X>S+ 0 0 67 -4,-2.3 4,-2.8 2,-0.2 5,-0.6 0.921 113.0 47.9 -65.5 -48.1 -7.8 90.2 60.3 228 239 A A H X5S+ 0 0 6 -4,-2.6 4,-1.5 3,-0.2 9,-0.2 0.919 113.5 49.7 -59.7 -41.8 -4.7 88.0 60.1 229 240 A A H <5S+ 0 0 0 -4,-2.7 8,-0.6 -5,-0.2 7,-0.4 0.923 121.7 30.4 -63.9 -46.8 -6.8 84.9 60.7 230 241 A V H <5S+ 0 0 65 -4,-2.3 3,-0.2 6,-0.2 -2,-0.2 0.893 124.8 41.8 -82.7 -43.2 -9.4 85.6 58.0 231 242 A Q H <5S+ 0 0 105 -4,-2.8 40,-0.3 -5,-0.3 -3,-0.2 0.878 121.1 37.7 -75.1 -38.7 -7.4 87.6 55.4 232 243 A W S < - 0 0 4 -4,-0.4 3,-2.0 -3,-0.2 -1,-0.2 -0.876 50.9-154.8-157.2 125.3 -5.4 82.0 55.8 234 245 A P T 3 S+ 0 0 37 0, 0.0 228,-0.2 0, 0.0 35,-0.1 0.700 103.4 66.1 -63.6 -17.9 -8.3 79.9 54.3 235 246 A L T 3 S- 0 0 14 33,-0.6 -5,-0.1 2,-0.1 3,-0.1 0.476 106.0-134.4 -80.2 -7.8 -7.8 77.9 57.6 236 247 A R < + 0 0 129 -3,-2.0 2,-0.3 -7,-0.4 -6,-0.2 0.871 63.1 98.7 54.1 51.4 -9.0 80.9 59.5 237 248 A R S S- 0 0 50 -8,-0.6 2,-0.3 -9,-0.2 -1,-0.2 -0.953 72.6 -97.7-153.3 165.8 -6.4 81.2 62.3 238 249 A V - 0 0 3 -2,-0.3 2,-0.2 37,-0.1 -38,-0.1 -0.669 40.7-108.2 -90.1 145.6 -3.3 83.0 63.1 239 250 A G B -g 200 0B 3 -40,-0.7 -38,-2.5 -2,-0.3 -1,-0.1 -0.520 36.8-160.0 -71.4 142.1 0.2 81.5 62.6 240 251 A L >> - 0 0 8 -40,-0.2 3,-1.4 -2,-0.2 4,-0.8 -0.852 30.8-109.7-124.1 155.3 2.1 80.5 65.8 241 252 A P H >> S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 3,-1.0 0.878 117.4 59.3 -51.3 -37.7 5.8 79.9 66.5 242 253 A I H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.821 94.6 64.9 -62.2 -30.0 5.1 76.2 66.9 243 254 A D H <> S+ 0 0 3 -3,-1.4 4,-0.7 1,-0.2 -1,-0.3 0.864 110.9 36.9 -60.2 -35.9 3.8 76.1 63.3 244 255 A I H < S+ 0 0 5 -4,-1.7 3,-0.9 2,-0.2 6,-0.7 0.965 112.8 45.3 -61.1 -51.5 11.1 67.8 60.0 251 262 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.886 111.6 53.1 -59.1 -40.1 13.9 69.5 57.9 252 263 A A H 3< S+ 0 0 7 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.666 102.5 76.6 -70.2 -19.2 16.4 68.8 60.6 253 264 A S S X< S- 0 0 3 -4,-1.0 3,-1.5 -3,-0.9 -239,-0.2 -0.284 100.1 -98.7 -87.1 176.7 15.5 65.1 60.7 254 265 A N G > S+ 0 0 46 -241,-1.0 3,-1.8 -239,-0.4 -240,-0.2 0.755 117.8 73.2 -65.7 -23.4 16.3 62.2 58.4 255 266 A D G 3 S+ 0 0 7 -242,-1.2 3,-0.3 1,-0.3 -1,-0.3 0.743 94.8 51.4 -61.8 -26.2 12.9 62.8 56.9 256 267 A G G X S+ 0 0 0 -3,-1.5 3,-1.8 -6,-0.7 -1,-0.3 0.285 76.5 114.0 -94.5 13.8 14.2 65.9 55.2 257 268 A G T < S+ 0 0 11 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.774 80.6 39.5 -54.9 -36.4 17.2 64.1 53.7 258 269 A W T 3 S+ 0 0 8 -3,-0.3 283,-2.3 258,-0.2 2,-0.7 0.324 96.9 92.6 -98.0 6.8 16.2 64.5 50.1 259 270 A V < + 0 0 0 -3,-1.8 2,-0.3 280,-0.2 280,-0.1 -0.902 52.4 139.0-101.4 107.2 15.0 68.1 50.6 260 271 A T + 0 0 1 -2,-0.7 282,-0.3 278,-0.2 280,-0.2 -0.987 55.6 23.3-150.6 147.3 17.8 70.5 49.9 261 272 A G S S+ 0 0 6 -69,-3.2 2,-0.2 -2,-0.3 -68,-0.2 0.662 94.6 133.1 71.8 22.4 18.1 73.9 48.1 262 273 A K - 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0 0 11 43,-0.2 3,-1.8 18,-0.2 4,-0.3 -0.949 31.2-101.6-175.0 159.3 7.3 66.2 39.5 427 165 B I G >> S+ 0 0 21 43,-2.2 4,-1.5 -2,-0.3 3,-1.3 0.774 115.5 74.9 -61.7 -21.8 10.4 68.3 38.9 428 166 B T G 34 S+ 0 0 0 42,-0.3 -1,-0.3 1,-0.3 17,-0.1 0.705 75.2 74.9 -64.8 -21.5 9.1 68.4 35.3 429 167 B G G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.882 119.3 14.9 -59.3 -32.3 6.4 70.9 36.3 430 168 B Q T <4 S+ 0 0 94 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.475 95.3 129.7-119.4 -7.7 9.2 73.5 36.5 431 169 B A < - 0 0 5 -4,-1.5 -3,-0.0 1,-0.1 113,-0.0 -0.136 35.8-166.9 -53.4 145.4 12.1 71.8 34.6 432 170 B K S S+ 0 0 63 1,-0.1 -1,-0.1 303,-0.0 -4,-0.0 0.457 74.2 42.7-117.0 -1.8 13.9 73.9 31.8 433 171 B A S S+ 0 0 53 112,-2.2 -1,-0.1 2,-0.1 675,-0.1 0.259 72.5 111.4-132.9 14.8 16.0 71.4 29.9 434 172 B V - 0 0 8 111,-0.1 3,-0.4 -6,-0.1 304,-0.1 -0.815 55.5-150.4 -92.5 112.0 14.1 68.2 29.3 435 173 B P S S+ 0 0 50 0, 0.0 -52,-0.1 0, 0.0 301,-0.1 -0.438 70.5 19.4 -80.1 159.3 13.4 67.9 25.5 436 174 B K S S+ 0 0 103 299,-0.3 -53,-2.2 -54,-0.1 -52,-0.1 0.894 94.9 106.7 52.8 49.3 10.3 66.1 24.0 437 175 B H > + 0 0 2 -3,-0.4 4,-2.2 298,-0.2 5,-0.3 0.162 25.8 119.1-141.9 19.8 8.4 66.3 27.3 438 176 B A H > S+ 0 0 1 -55,-0.4 4,-2.4 297,-0.2 5,-0.2 0.882 77.3 51.0 -62.1 -39.3 5.7 68.9 27.0 439 177 B V H > S+ 0 0 5 -56,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.975 116.3 36.3 -63.7 -58.6 2.8 66.5 27.6 440 178 B Y H > S+ 0 0 16 -59,-0.4 4,-1.5 2,-0.2 5,-0.2 0.932 119.3 49.8 -61.3 -48.1 3.9 64.8 30.8 441 179 B S H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.936 111.8 48.9 -58.1 -46.7 5.5 68.0 32.2 442 180 B G H 3X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.863 106.6 55.4 -61.5 -37.9 2.3 70.0 31.5 443 181 B S H 3< S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.823 114.2 41.9 -64.7 -29.9 0.2 67.3 33.1 444 182 B K H XX S+ 0 0 6 -4,-1.5 4,-0.7 -3,-0.6 3,-0.5 0.805 107.4 59.1 -86.4 -32.4 2.3 67.7 36.3 445 183 B G H >X S+ 0 0 3 -4,-2.4 4,-1.0 1,-0.2 3,-0.8 0.853 98.1 60.9 -65.4 -34.3 2.6 71.5 36.2 446 184 B A H 3X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.837 95.1 63.9 -60.7 -32.0 -1.2 71.7 36.4 447 185 B I H <> S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.825 95.2 58.0 -62.8 -32.8 -1.0 69.9 39.8 448 186 B E H < S+ 0 0 26 -4,-0.8 3,-0.6 -3,-0.2 4,-0.2 0.986 116.8 39.1 -66.6 -58.0 -8.5 77.4 49.6 457 195 B D H >< S+ 0 0 5 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.926 116.5 48.7 -58.1 -51.7 -11.7 75.3 49.0 458 196 B M H ><>S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.3 5,-1.9 0.645 91.0 80.3 -67.5 -15.9 -10.8 72.3 51.1 459 197 B A G X<5S+ 0 0 2 -4,-0.8 3,-1.6 -3,-0.6 -1,-0.3 0.641 74.9 76.6 -65.6 -15.6 -9.8 74.5 54.1 460 198 B D G < 5S+ 0 0 93 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.648 102.4 38.4 -70.5 -11.2 -13.5 74.7 54.8 461 199 B K G < 5S- 0 0 36 -3,-2.0 -43,-2.4 2,-0.2 -42,-0.5 0.082 122.8-109.6-116.9 18.2 -13.1 71.2 56.3 462 200 B K T < 5 + 0 0 88 -3,-1.6 2,-0.4 -45,-0.2 -3,-0.2 0.767 69.5 150.4 57.4 29.7 -9.6 72.2 57.7 463 201 B I < - 0 0 0 -5,-1.9 2,-0.3 -45,-0.1 -43,-0.2 -0.772 39.3-142.4 -93.9 131.2 -7.9 69.9 55.1 464 202 B T E -l 420 0C 3 -45,-1.6 -43,-2.0 -2,-0.4 2,-0.4 -0.708 12.8-159.9 -90.3 146.7 -4.4 70.9 53.9 465 203 B V E +l 421 0C 0 -2,-0.3 69,-3.2 -45,-0.2 70,-0.4 -0.983 20.2 156.7-131.1 120.5 -3.6 70.3 50.3 466 204 B N E -l 422 0C 0 -45,-1.9 -43,-3.0 -2,-0.4 2,-0.4 -0.924 30.2-135.2-137.9 163.6 0.0 70.1 49.0 467 205 B V E -lm 423 536C 0 68,-2.6 70,-2.9 -2,-0.3 2,-0.4 -0.976 10.8-148.1-124.4 130.8 1.9 68.7 46.1 468 206 B V E -lm 424 537C 0 -45,-2.6 -43,-3.3 -2,-0.4 70,-0.2 -0.828 9.2-161.5 -94.1 139.4 5.2 66.8 46.3 469 207 B A E - m 0 538C 5 68,-2.8 70,-2.2 -2,-0.4 -43,-0.2 -0.813 11.4-166.9-124.3 88.7 7.5 67.2 43.3 470 208 B P E - m 0 539C 8 0, 0.0 -43,-2.2 0, 0.0 -42,-0.3 -0.344 12.9-142.2 -74.7 154.4 10.1 64.4 43.1 471 209 B G - 0 0 9 68,-1.6 70,-0.1 1,-0.3 2,-0.1 -0.200 67.7 -34.5 -90.0-164.3 13.2 64.5 41.0 472 210 B G - 0 0 34 68,-0.2 40,-0.7 -2,-0.1 2,-0.4 -0.346 68.8-171.4 -59.1 131.6 14.2 61.1 39.4 473 211 B I B -n 512 0D 9 -3,-0.1 2,-0.9 38,-0.1 5,-0.4 -0.990 32.1-106.2-128.7 133.2 13.4 58.2 41.8 474 212 B K S S+ 0 0 37 38,-2.4 2,-0.2 -2,-0.4 -172,-0.0 -0.454 71.5 117.4 -64.2 99.8 14.4 54.5 41.2 475 213 B T S > S- 0 0 23 -2,-0.9 4,-2.4 38,-0.1 5,-0.2 -0.829 83.4 -80.7-146.9-176.5 11.2 52.8 40.2 476 214 B D H > S+ 0 0 90 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.898 130.8 53.2 -60.6 -38.2 9.8 50.9 37.2 477 215 B M H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.925 107.4 50.1 -62.7 -45.5 9.1 54.3 35.6 478 216 B Y H > S+ 0 0 13 -5,-0.4 4,-2.6 1,-0.2 5,-0.2 0.908 110.2 51.7 -59.1 -44.4 12.7 55.4 36.1 479 217 B H H < S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.879 110.4 48.6 -60.4 -40.4 13.9 52.2 34.5 480 218 B A H < S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.876 131.0 10.0 -70.6 -36.9 11.8 52.6 31.5 481 219 B V H >< S+ 0 0 22 -4,-2.1 3,-1.8 -5,-0.1 4,-0.5 0.412 84.3 108.9-130.1 6.6 12.6 56.3 30.7 482 220 B C G >< S+ 0 0 4 -4,-2.6 3,-2.1 1,-0.3 4,-0.2 0.898 81.7 59.2 -52.3 -42.4 15.6 57.6 32.7 483 221 B R G > S+ 0 0 59 1,-0.3 3,-1.5 -5,-0.2 6,-0.5 0.747 92.4 68.3 -57.3 -26.2 17.8 57.6 29.6 484 222 B E G < S+ 0 0 110 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.691 97.6 52.6 -67.3 -19.3 15.3 60.0 27.9 485 223 B Y G < S+ 0 0 40 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.408 99.3 80.0 -93.3 -1.2 16.4 62.6 30.4 486 224 B I S X S- 0 0 9 -3,-1.5 3,-2.0 -4,-0.2 4,-0.2 -0.926 84.2-124.4-115.0 117.3 20.1 62.0 29.4 487 225 B P T 3 S- 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.374 98.3 -4.4 -57.6 125.4 21.6 63.5 26.2 488 226 B N T 3 S+ 0 0 141 1,-0.1 3,-0.3 -4,-0.1 -4,-0.1 0.809 96.0 131.2 59.8 34.0 23.0 60.6 24.3 489 227 B G X + 0 0 0 -3,-2.0 3,-1.4 -6,-0.5 -1,-0.1 0.372 28.0 107.7 -99.2 7.6 22.1 58.1 27.0 490 228 B E T 3 S+ 0 0 128 1,-0.3 -1,-0.2 -4,-0.2 -7,-0.1 0.808 86.4 38.6 -53.2 -35.2 20.4 55.5 24.9 491 229 B N T 3 S+ 0 0 147 -3,-0.3 -1,-0.3 -8,-0.1 -2,-0.1 0.401 84.5 124.8 -99.8 1.5 23.3 53.0 25.3 492 230 B L < - 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