==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 26-MAR-10 2XA2 . COMPND 2 MOLECULE: TREHALOSE-SYNTHASE TRET; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-N.SONG,T.-Y.JUNG,S.-M.YOON,S.-B.LEE,M.-Y.LIM,E.-J.WOO . 824 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0.2 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 . 73 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 0 0 2 0 2 2 2 2 2 4 8 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 1 3 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 3 A M 0 0 7 0, 0.0 75,-0.2 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 108.5 30.6 -4.0 131.8 2 4 A Y - 0 0 163 73,-0.5 73,-0.3 1,-0.0 2,-0.3 0.044 360.0-125.0 -89.7-159.9 33.3 -1.4 131.8 3 5 A E - 0 0 36 71,-0.3 71,-0.3 1,-0.1 3,-0.2 -0.978 7.2-133.3-150.4 160.8 33.1 2.4 131.3 4 6 A V + 0 0 20 69,-2.7 2,-4.1 -2,-0.3 -1,-0.1 0.973 39.2 151.5 -79.5 -62.3 34.6 5.2 129.1 5 7 A K S S+ 0 0 105 68,-0.2 -1,-0.2 1,-0.0 69,-0.0 -0.273 72.6 45.1 61.0 -65.2 35.6 7.9 131.6 6 8 A E S S- 0 0 159 -2,-4.1 2,-0.3 -3,-0.2 -2,-0.0 0.111 74.4-167.9 -83.7-156.2 38.3 9.0 129.2 7 9 A F - 0 0 42 1,-0.1 52,-0.1 -3,-0.0 4,-0.1 -0.874 24.7-128.2-170.7-163.5 38.0 9.4 125.4 8 10 A S S S+ 0 0 86 50,-0.4 3,-0.1 -2,-0.3 51,-0.1 0.517 99.9 61.7-136.4 -35.7 40.3 9.8 122.4 9 11 A S S S- 0 0 26 49,-0.4 2,-0.3 1,-0.3 50,-0.1 0.629 106.2-133.8 -69.7 -10.0 38.9 12.9 120.5 10 12 A G - 0 0 34 1,-0.1 2,-0.5 48,-0.1 -1,-0.3 -0.738 58.7 -18.0 96.0-142.3 39.8 14.6 123.7 11 13 A K S S- 0 0 135 -2,-0.3 -1,-0.1 -3,-0.1 48,-0.1 -0.341 76.6-173.8 -98.1 51.0 37.5 17.0 125.4 12 14 A R + 0 0 45 -2,-0.5 54,-0.4 46,-0.3 2,-0.3 -0.203 7.8 176.6 -46.6 128.3 35.4 17.6 122.4 13 15 A K > - 0 0 84 52,-0.1 3,-3.3 53,-0.1 4,-0.4 -0.996 46.9-105.1-142.0 142.3 32.9 20.3 123.2 14 16 A L G > S+ 0 0 3 49,-0.4 3,-1.5 -2,-0.3 4,-0.2 0.719 117.1 67.7 -34.3 -33.4 30.3 22.0 121.0 15 17 A E G > S+ 0 0 87 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.852 84.3 67.7 -60.2 -38.5 32.6 25.0 121.0 16 18 A D G < S+ 0 0 73 -3,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.586 106.1 44.1 -61.0 -6.6 35.3 23.2 118.9 17 19 A Y G X> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.4 3,-1.4 0.375 78.9 106.1-116.6 -0.2 32.8 23.3 116.1 18 20 A K H <> S+ 0 0 52 -3,-2.1 4,-1.6 1,-0.3 8,-0.2 0.882 81.6 51.1 -46.4 -47.1 31.6 26.9 116.5 19 21 A S H 34 S+ 0 0 117 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.759 111.6 48.7 -63.5 -27.8 33.5 27.9 113.4 20 22 A I H <4 S+ 0 0 27 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.868 123.6 25.0 -82.0 -41.3 32.0 25.1 111.3 21 23 A I H X S- 0 0 19 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.368 104.2-121.1-107.5 3.1 28.3 25.5 112.2 22 24 A G H X - 0 0 34 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.120 30.6 -83.7 75.5 161.9 28.1 29.2 113.1 23 25 A E H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.753 122.4 63.9 -77.5 -25.2 26.9 30.6 116.4 24 26 A E H > S+ 0 0 170 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.929 109.4 41.7 -63.9 -41.2 23.2 30.5 115.6 25 27 A E H X S+ 0 0 56 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.874 111.2 53.3 -73.2 -39.5 23.4 26.7 115.4 26 28 A V H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.890 115.7 44.4 -61.8 -35.0 25.6 26.4 118.4 27 29 A S H X S+ 0 0 60 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.997 107.6 53.3 -68.5 -66.8 22.9 28.4 120.1 28 30 A K H X S+ 0 0 74 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.783 113.9 50.1 -37.1 -32.9 19.9 26.6 118.7 29 31 A I H X S+ 0 0 2 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.994 106.0 48.8 -71.2 -67.4 21.8 23.5 120.1 30 32 A Q H >< S+ 0 0 86 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.786 107.8 60.1 -43.1 -35.9 22.5 24.7 123.7 31 33 A E H >X S+ 0 0 122 -4,-2.5 3,-2.8 1,-0.2 4,-0.9 0.990 102.7 48.4 -56.9 -63.1 18.9 25.7 123.9 32 34 A K H 3< S+ 0 0 46 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.541 110.1 56.1 -56.4 -7.3 17.6 22.1 123.3 33 35 A A T << S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.339 93.3 66.2-108.4 3.9 20.1 21.0 125.9 34 36 A E T X4 S+ 0 0 108 -3,-2.8 3,-1.9 -4,-0.2 -2,-0.2 0.833 94.7 56.9 -89.0 -39.1 18.9 23.2 128.7 35 37 A K T 3< S+ 0 0 145 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.509 115.3 40.4 -68.9 -4.4 15.5 21.4 129.0 36 38 A L T > S+ 0 0 4 3,-0.1 3,-0.7 374,-0.0 -1,-0.3 0.118 87.7 150.0-127.9 14.5 17.6 18.3 129.5 37 39 A K T < + 0 0 146 -3,-1.9 32,-0.2 1,-0.2 -3,-0.1 -0.162 66.2 7.0 -53.6 140.3 20.2 19.9 131.8 38 40 A G T 3 S+ 0 0 61 30,-2.9 -1,-0.2 1,-0.2 2,-0.2 0.882 97.2 137.9 52.6 48.4 21.8 17.6 134.4 39 41 A R < - 0 0 95 -3,-0.7 31,-1.4 29,-0.4 2,-0.5 -0.662 57.2-101.9-116.7 173.5 20.2 14.4 133.2 40 42 A S E +a 70 0A 15 -2,-0.2 87,-1.0 29,-0.1 2,-0.3 -0.856 37.7 165.8-101.0 125.9 21.4 10.8 132.7 41 43 A F E -ab 71 127A 2 29,-1.4 31,-1.6 -2,-0.5 2,-0.3 -0.751 14.6-179.2-139.9 86.3 22.1 9.7 129.2 42 44 A V E -ab 72 128A 0 85,-2.0 87,-2.7 -2,-0.3 2,-0.4 -0.635 12.7-156.6 -93.8 149.3 24.1 6.4 129.1 43 45 A H E -ab 73 129A 0 29,-2.2 31,-3.0 -2,-0.3 2,-0.4 -0.970 8.1-169.3-124.0 136.3 25.4 4.5 126.1 44 46 A V E +ab 74 130A 0 85,-2.1 87,-3.2 -2,-0.4 2,-0.3 -0.983 19.3 134.7-129.7 137.9 26.1 0.7 126.0 45 47 A N E -a 75 0A 7 29,-1.1 31,-1.8 -2,-0.4 87,-0.1 -0.945 57.5 -84.4-162.7-175.4 27.9 -1.4 123.4 46 48 A S S S- 0 0 10 85,-0.3 2,-0.3 -2,-0.3 29,-0.1 0.753 95.0 -6.2 -74.3 -31.1 30.4 -4.1 122.4 47 49 A T - 0 0 43 2,-0.1 -1,-0.2 1,-0.1 30,-0.0 -0.988 35.4-149.6-166.5 157.2 33.6 -2.1 122.2 48 50 A S S S+ 0 0 29 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.292 94.9 50.1-109.3 4.5 35.4 1.3 122.4 49 51 A F S S+ 0 0 172 1,-0.3 6,-0.2 6,-0.0 2,-0.1 0.710 99.8 40.8-105.6 -91.2 38.1 0.3 120.0 50 52 A G S S+ 0 0 55 4,-0.1 -1,-0.3 3,-0.0 4,-0.2 -0.385 94.5 49.3 -65.6 136.6 37.3 -1.2 116.6 51 53 A G S > S- 0 0 49 2,-0.1 4,-1.3 1,-0.1 5,-0.0 -0.354 77.4-104.8 121.3 159.0 34.3 0.3 114.8 52 54 A G H > S+ 0 0 46 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.829 116.7 61.4 -85.5 -37.9 32.6 3.4 113.7 53 55 A V H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.911 108.7 44.0 -52.7 -43.9 30.1 3.2 116.5 54 56 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 111.8 51.9 -66.9 -48.2 33.0 3.5 118.9 55 57 A E H < S+ 0 0 95 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.811 110.1 51.6 -57.9 -31.0 34.6 6.2 116.9 56 58 A I H >X S+ 0 0 36 -4,-2.8 4,-2.8 1,-0.2 3,-0.7 0.900 108.6 48.4 -72.9 -43.3 31.3 8.1 117.0 57 59 A L H 3X S+ 0 0 1 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.844 100.4 65.1 -66.4 -36.9 30.8 7.8 120.8 58 60 A H H 3< S+ 0 0 32 -4,-2.1 -50,-0.4 1,-0.2 -49,-0.4 0.767 117.5 28.6 -57.8 -25.6 34.4 9.0 121.5 59 61 A S H <> S+ 0 0 6 -3,-0.7 4,-1.6 -4,-0.5 -2,-0.2 0.762 121.9 52.4-102.5 -36.3 33.3 12.3 120.0 60 62 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -3,-0.2 0.857 105.2 51.2 -70.4 -41.1 29.6 12.2 120.9 61 63 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 10,-0.2 0.973 111.8 45.8 -63.8 -54.2 29.8 11.5 124.6 62 64 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.946 113.5 53.1 -51.4 -49.3 32.2 14.3 125.4 63 65 A L H < S+ 0 0 0 -4,-1.6 -49,-0.4 1,-0.2 -2,-0.2 0.888 108.9 46.3 -52.8 -48.3 30.0 16.6 123.2 64 66 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.7 2,-0.2 3,-1.5 0.913 112.1 54.6 -62.3 -40.8 26.9 15.7 125.1 65 67 A R H ><5S+ 0 0 76 -4,-2.9 3,-2.6 1,-0.3 4,-0.4 0.987 104.9 50.8 -52.6 -68.8 28.8 16.2 128.3 66 68 A S T 3<5S+ 0 0 51 -4,-2.7 -1,-0.3 -54,-0.4 -2,-0.2 0.361 105.3 59.5 -55.9 6.0 29.9 19.8 127.4 67 69 A I T < 5S- 0 0 16 -3,-1.5 -1,-0.3 2,-0.3 -2,-0.2 0.448 126.2 -84.9-115.0 -0.8 26.4 20.8 126.6 68 70 A G T < 5S+ 0 0 34 -3,-2.6 -30,-2.9 -4,-0.4 2,-0.5 0.424 91.5 113.8 116.6 -0.3 24.7 20.2 129.9 69 71 A I < - 0 0 4 -5,-1.7 2,-2.7 -4,-0.4 -1,-0.3 -0.896 66.4-130.1-109.3 131.4 23.8 16.5 129.8 70 72 A E E +a 40 0A 98 -31,-1.4 -29,-1.4 -2,-0.5 -5,-0.1 -0.393 41.9 177.5 -75.9 67.6 25.5 13.9 132.1 71 73 A A E +a 41 0A 0 -2,-2.7 2,-0.3 -10,-0.2 -29,-0.2 -0.247 2.9 176.5 -66.6 160.9 26.3 11.6 129.3 72 74 A R E -a 42 0A 67 -31,-1.6 -29,-2.2 2,-0.0 2,-0.5 -0.927 18.9-142.9-167.2 145.1 28.2 8.4 130.1 73 75 A W E -a 43 0A 0 -2,-0.3 -69,-2.7 -31,-0.2 2,-0.4 -0.947 14.1-179.2-126.6 119.8 29.4 5.4 128.2 74 76 A F E -a 44 0A 6 -31,-3.0 -29,-1.1 -2,-0.5 -71,-0.3 -0.888 11.6-157.2-112.9 143.1 29.6 1.7 129.4 75 77 A V E -a 45 0A 14 -2,-0.4 -73,-0.5 -73,-0.3 2,-0.4 -0.598 17.5-109.9-112.3 173.5 30.9 -1.2 127.3 76 78 A I - 0 0 11 -31,-1.8 2,-0.4 -75,-0.2 37,-0.1 -0.867 20.3-149.1-111.3 141.7 30.4 -5.0 127.4 77 79 A E + 0 0 88 -2,-0.4 39,-0.2 35,-0.2 -30,-0.0 -0.846 30.3 142.8-107.3 142.2 32.9 -7.7 128.4 78 80 A G - 0 0 43 -2,-0.4 2,-0.1 -32,-0.1 -2,-0.0 -0.983 44.5 -97.9-172.1 161.0 32.9 -11.2 127.0 79 81 A P >> - 0 0 69 0, 0.0 3,-3.6 0, 0.0 4,-1.1 -0.461 47.4-100.2 -83.4 158.1 34.9 -14.2 125.8 80 82 A T H 3> S+ 0 0 105 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.838 122.9 64.0 -45.3 -38.8 35.7 -14.9 122.1 81 83 A E H 3> S+ 0 0 141 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.645 101.4 51.7 -62.9 -14.2 32.9 -17.4 122.1 82 84 A F H <> S+ 0 0 0 -3,-3.6 4,-1.5 2,-0.1 -1,-0.2 0.844 111.2 43.3 -89.9 -39.5 30.5 -14.5 122.8 83 85 A F H X S+ 0 0 63 -4,-1.1 4,-3.3 2,-0.2 5,-0.2 0.886 109.8 56.3 -72.8 -40.7 31.6 -12.2 120.0 84 86 A N H X S+ 0 0 71 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.908 109.4 47.2 -58.0 -41.3 31.8 -15.0 117.4 85 87 A V H X S+ 0 0 14 -4,-0.6 4,-3.2 -5,-0.3 -1,-0.2 0.894 114.7 46.6 -66.4 -39.7 28.2 -15.8 118.2 86 88 A T H X S+ 0 0 11 -4,-1.5 4,-2.9 2,-0.3 -2,-0.2 0.824 106.1 57.9 -71.3 -32.6 27.4 -12.1 117.9 87 89 A K H X S+ 0 0 99 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.911 111.9 43.5 -62.1 -38.1 29.4 -11.9 114.7 88 90 A T H X S+ 0 0 36 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.974 109.4 54.0 -68.5 -55.6 27.0 -14.6 113.5 89 91 A F H X S+ 0 0 3 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.898 109.8 53.3 -41.1 -47.4 23.9 -12.8 114.9 90 92 A H H X S+ 0 0 63 -4,-2.9 4,-1.6 1,-0.2 3,-0.2 0.971 112.6 37.7 -53.2 -67.0 25.2 -9.8 112.9 91 93 A N H < S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.719 114.8 58.0 -62.9 -20.7 25.5 -11.5 109.5 92 94 A A H < S+ 0 0 0 -4,-2.8 68,-2.6 1,-0.2 3,-0.5 0.922 106.4 47.8 -72.9 -44.3 22.3 -13.5 110.3 93 95 A L H < S+ 0 0 2 -4,-2.7 2,-0.8 -5,-0.3 65,-0.2 0.773 106.3 59.9 -66.1 -28.7 20.4 -10.2 110.8 94 96 A Q S < S- 0 0 74 -4,-1.6 -1,-0.3 1,-0.2 2,-0.2 -0.451 125.9 -88.5 -98.2 59.5 21.8 -8.9 107.6 95 97 A G S S+ 0 0 15 -2,-0.8 65,-0.4 -3,-0.5 -1,-0.2 -0.534 80.0 131.1 76.2-136.3 20.3 -11.6 105.4 96 98 A N > - 0 0 89 -2,-0.2 2,-1.5 1,-0.2 3,-1.1 0.964 37.6-168.3 47.3 67.7 22.4 -14.7 105.0 97 99 A E T 3 + 0 0 129 1,-0.2 -1,-0.2 62,-0.1 -5,-0.1 -0.228 67.0 83.7 -83.5 50.1 19.5 -17.0 105.9 98 100 A S T 3 + 0 0 100 -2,-1.5 2,-0.2 -3,-0.2 -1,-0.2 0.381 64.0 98.1-126.2 -7.2 21.9 -20.0 106.2 99 101 A L < - 0 0 47 -3,-1.1 2,-0.5 -11,-0.1 63,-0.1 -0.614 64.5-140.8 -85.8 147.2 23.1 -19.5 109.7 100 102 A K - 0 0 153 -2,-0.2 2,-0.6 62,-0.1 -12,-0.0 -0.942 2.4-146.8-114.4 125.8 21.4 -21.5 112.5 101 103 A L - 0 0 20 -2,-0.5 2,-0.3 4,-0.1 3,-0.0 -0.785 25.5-173.1 -90.4 125.1 20.6 -20.1 116.0 102 104 A T > - 0 0 60 -2,-0.6 4,-2.6 1,-0.1 3,-0.2 -0.779 37.7-111.6-118.4 162.8 21.0 -22.7 118.7 103 105 A E H > S+ 0 0 107 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.877 116.6 59.8 -57.2 -42.1 20.2 -22.9 122.4 104 106 A E H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.947 111.5 42.4 -50.9 -48.3 23.9 -23.1 123.2 105 107 A M H > S+ 0 0 35 -3,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.939 114.1 49.8 -63.6 -50.4 24.2 -19.7 121.5 106 108 A K H X S+ 0 0 57 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.900 111.8 48.9 -55.6 -46.5 21.0 -18.3 123.1 107 109 A E H X S+ 0 0 117 -4,-3.5 4,-2.6 2,-0.2 5,-0.2 0.959 113.1 47.3 -59.3 -51.6 22.1 -19.3 126.5 108 110 A L H X S+ 0 0 47 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.949 113.6 47.4 -54.1 -56.4 25.6 -17.8 126.1 109 111 A Y H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.965 115.6 43.0 -48.9 -66.3 24.2 -14.6 124.7 110 112 A L H X S+ 0 0 37 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.809 113.6 53.1 -52.6 -37.1 21.6 -14.0 127.4 111 113 A N H X S+ 0 0 69 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.958 106.2 50.9 -66.0 -50.1 24.0 -15.1 130.1 112 114 A V H X S+ 0 0 15 -4,-2.9 4,-2.1 1,-0.3 -2,-0.2 0.898 113.8 47.6 -53.8 -38.4 26.7 -12.6 129.1 113 115 A N H < S+ 0 0 4 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.3 0.856 109.3 52.1 -70.5 -36.7 23.9 -10.0 129.2 114 116 A R H < S+ 0 0 91 -4,-2.1 3,-0.2 -5,-0.2 -2,-0.2 0.911 114.4 44.0 -65.9 -42.3 22.7 -11.2 132.6 115 117 A E H >< S+ 0 0 88 -4,-2.9 3,-3.5 1,-0.2 -2,-0.2 0.989 109.2 50.5 -66.7 -64.4 26.2 -10.9 134.0 116 118 A N G >< S+ 0 0 5 -4,-2.1 3,-0.6 1,-0.3 4,-0.5 0.627 103.5 67.4 -52.1 -10.2 27.4 -7.6 132.6 117 119 A S G 3 S+ 0 0 9 -4,-0.5 -1,-0.3 -3,-0.2 5,-0.2 0.467 87.0 65.9 -90.2 -2.6 24.1 -6.2 134.0 118 120 A K G < S+ 0 0 138 -3,-3.5 -1,-0.2 1,-0.1 -2,-0.1 0.073 92.3 63.6-104.6 22.6 25.2 -6.8 137.6 119 121 A F S < S+ 0 0 103 -3,-0.6 2,-0.4 1,-0.3 -2,-0.1 0.736 110.0 21.6-110.5 -42.5 27.9 -4.2 137.4 120 122 A I S S- 0 0 42 -4,-0.5 2,-1.6 -118,-0.0 -1,-0.3 -0.973 73.7-128.1-136.0 122.5 26.0 -0.9 136.8 121 123 A D > + 0 0 74 -2,-0.4 3,-1.3 1,-0.2 4,-0.2 -0.489 29.1 179.6 -69.8 91.5 22.3 -0.3 137.5 122 124 A L G > S+ 0 0 0 -2,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.791 72.3 67.8 -63.8 -31.7 21.2 1.0 134.1 123 125 A S G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -3,-0.1 22,-0.2 0.623 86.9 71.7 -66.4 -11.7 17.6 1.5 135.1 124 126 A S G < S+ 0 0 65 -3,-1.3 -1,-0.3 21,-0.1 2,-0.2 0.602 81.2 89.8 -80.1 -13.0 18.7 4.4 137.5 125 127 A F S < S- 0 0 14 -3,-1.6 20,-0.2 -4,-0.2 3,-0.1 -0.562 81.8-124.3 -88.3 150.5 19.5 6.8 134.6 126 128 A D S S+ 0 0 57 -2,-0.2 2,-0.3 1,-0.2 -85,-0.2 0.816 96.2 11.6 -60.6 -32.4 17.1 9.2 133.0 127 129 A Y E -b 41 0A 17 -87,-1.0 -85,-2.0 19,-0.2 2,-0.4 -0.985 67.0-160.2-150.0 137.4 17.7 7.7 129.6 128 130 A V E -bc 42 148A 0 19,-1.7 21,-4.3 -2,-0.3 2,-0.5 -0.968 2.3-169.0-126.4 130.5 19.4 4.6 128.3 129 131 A L E -bc 43 149A 0 -87,-2.7 -85,-2.1 -2,-0.4 2,-0.5 -0.958 4.0-164.9-118.1 125.7 20.8 3.8 124.8 130 132 A V E -bc 44 150A 0 19,-2.9 21,-3.0 -2,-0.5 2,-0.6 -0.943 12.9-144.8-111.1 127.0 21.8 0.4 123.8 131 133 A H E - c 0 151A 6 -87,-3.2 -85,-0.3 -2,-0.5 21,-0.2 -0.837 54.0 -28.9 -99.6 121.0 23.9 0.1 120.6 132 134 A D S S- 0 0 20 19,-2.9 4,-0.2 -2,-0.6 19,-0.1 0.241 89.1 -59.8 65.2 169.2 23.5 -3.0 118.3 133 135 A P S > S+ 0 0 6 0, 0.0 3,-4.1 0, 0.0 4,-0.5 0.901 111.3 78.5 -46.5 -62.7 22.4 -6.6 119.1 134 136 A Q T 3 S+ 0 0 29 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.669 108.7 26.4 -22.3 -51.4 25.1 -7.7 121.6 135 137 A P T > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.264 87.3 107.0-106.1 15.0 23.6 -5.9 124.6 136 138 A A G X S+ 0 0 0 -3,-4.1 3,-1.2 1,-0.3 -2,-0.1 0.869 72.8 65.1 -58.0 -36.0 20.0 -5.8 123.5 137 139 A A G > S+ 0 0 0 -4,-0.5 3,-1.3 -3,-0.3 -1,-0.3 0.561 79.6 83.9 -65.5 -8.5 19.1 -8.4 126.1 138 140 A L G X S+ 0 0 0 -3,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.886 70.8 76.7 -62.5 -38.4 20.1 -6.0 128.9 139 141 A I G < S+ 0 0 6 -3,-1.2 3,-0.3 -4,-0.3 -1,-0.2 0.594 92.3 53.3 -51.4 -14.2 16.6 -4.4 128.9 140 142 A E G < S+ 0 0 85 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.061 93.8 69.5-112.9 29.2 15.1 -7.4 130.8 141 143 A F S < S+ 0 0 61 -3,-2.2 2,-0.3 -28,-0.1 -1,-0.2 -0.010 100.7 42.7-128.8 25.7 17.5 -7.5 133.7 142 144 A Y S S- 0 0 37 -3,-0.3 2,-0.6 -20,-0.1 -21,-0.0 -0.943 89.0-105.8-159.3 158.9 16.4 -4.3 135.4 143 145 A E - 0 0 162 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 -0.861 42.9-113.9 -97.4 124.2 13.0 -2.8 136.0 144 146 A K + 0 0 83 -2,-0.6 -21,-0.1 1,-0.2 -20,-0.0 -0.279 50.7 151.9 -58.0 135.4 12.3 0.1 133.7 145 147 A K S S+ 0 0 135 1,-0.3 -1,-0.2 -20,-0.2 -21,-0.1 0.330 70.7 33.9-136.2 -16.4 12.0 3.5 135.4 146 148 A S S S- 0 0 14 1,-0.0 -1,-0.3 -18,-0.0 -19,-0.2 -0.903 99.3 -76.5-139.0 164.0 13.1 5.5 132.4 147 149 A P - 0 0 29 0, 0.0 -19,-1.7 0, 0.0 2,-0.4 -0.333 42.2-151.1 -63.5 147.1 12.8 5.3 128.6 148 150 A W E -c 128 0A 1 -21,-0.2 27,-2.6 25,-0.1 28,-1.0 -0.986 7.9-157.0-121.8 128.6 15.1 2.8 126.9 149 151 A L E -cd 129 176A 0 -21,-4.3 -19,-2.9 -2,-0.4 2,-0.6 -0.899 5.2-154.8-112.7 137.5 16.4 3.4 123.4 150 152 A W E -cd 130 177A 0 26,-2.4 28,-3.2 -2,-0.4 2,-0.6 -0.943 9.8-162.1-111.0 118.5 17.6 0.8 121.0 151 153 A R E -cd 131 178A 2 -21,-3.0 -19,-2.9 -2,-0.6 2,-0.5 -0.897 4.2-158.8-105.1 122.8 20.0 2.0 118.3 152 154 A C + 0 0 1 26,-3.0 28,-0.3 -2,-0.6 4,-0.1 -0.885 15.8 179.7-105.6 128.8 20.5 -0.2 115.3 153 155 A H + 0 0 39 -2,-0.5 2,-0.3 26,-0.1 -1,-0.1 -0.089 63.6 56.9-114.3 32.2 23.6 0.1 113.1 154 156 A I S S- 0 0 9 30,-0.1 26,-0.2 171,-0.0 2,-0.2 -0.913 90.5 -76.3-150.6 175.8 22.8 -2.6 110.5 155 157 A D + 0 0 37 -2,-0.3 -60,-0.1 1,-0.1 29,-0.1 -0.575 35.3 171.1 -83.9 143.0 20.1 -3.6 108.0 156 158 A L + 0 0 0 -2,-0.2 -62,-0.1 -62,-0.1 -1,-0.1 -0.154 50.4 97.6-141.2 42.2 16.9 -5.2 109.1 157 159 A S S S+ 0 0 65 1,-0.2 27,-0.1 29,-0.1 -63,-0.1 0.752 102.4 18.9 -97.4 -32.4 14.6 -5.4 106.0 158 160 A S S S+ 0 0 74 -65,-0.2 -63,-0.4 28,-0.0 -1,-0.2 -0.581 86.2 165.0-138.2 70.6 15.5 -9.0 105.3 159 161 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 -66,-0.3 -0.520 52.8 -84.3 -88.8 157.6 17.0 -10.6 108.4 160 162 A N >> - 0 0 0 -68,-2.6 4,-1.8 -65,-0.4 3,-1.4 -0.458 41.9-140.6 -61.8 102.5 17.4 -14.3 109.2 161 163 A R H 3> S+ 0 0 143 -2,-0.8 4,-2.1 1,-0.3 5,-0.2 0.805 97.1 54.9 -31.0 -58.2 14.0 -15.2 110.4 162 164 A E H 3> S+ 0 0 95 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.883 113.1 42.6 -48.6 -45.9 15.2 -17.6 113.2 163 165 A F H <> S+ 0 0 0 -3,-1.4 4,-2.3 1,-0.2 3,-0.3 0.830 110.6 52.9 -74.6 -35.0 17.4 -14.8 114.6 164 166 A W H X S+ 0 0 3 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.885 102.5 57.7 -70.0 -37.8 15.0 -11.9 114.4 165 167 A E H < S+ 0 0 83 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.778 112.7 44.0 -62.5 -25.1 12.2 -13.7 116.3 166 168 A F H >< S+ 0 0 8 -4,-0.6 3,-1.6 -3,-0.3 -2,-0.2 0.952 115.6 42.3 -82.8 -59.8 14.7 -14.1 119.1 167 169 A L H >X S+ 0 0 1 -4,-2.3 3,-2.6 1,-0.3 4,-1.8 0.859 104.2 69.3 -55.2 -38.4 16.3 -10.7 119.3 168 170 A R H 3X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.3 -1,-0.3 0.732 83.5 70.3 -54.1 -26.5 12.8 -9.1 118.8 169 171 A R H <4 S+ 0 0 143 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.610 110.4 34.4 -69.4 -8.5 11.8 -10.2 122.3 170 172 A F H X> S+ 0 0 2 -3,-2.6 3,-1.3 -4,-0.2 4,-0.9 0.768 116.9 50.2-107.9 -49.9 14.2 -7.6 123.5 171 173 A V H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.894 99.6 64.0 -58.4 -44.5 13.9 -4.8 121.0 172 174 A E T 3< S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.709 98.9 61.6 -56.0 -17.0 10.1 -4.7 121.1 173 175 A K T <4 S+ 0 0 86 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.986 81.5 89.7 -71.8 -63.3 10.6 -3.6 124.7 174 176 A Y S < S- 0 0 0 -4,-0.9 -25,-0.2 1,-0.1 3,-0.1 0.187 81.4-120.7 -35.5 152.5 12.6 -0.3 124.3 175 177 A D S S+ 0 0 39 -27,-2.6 2,-0.3 1,-0.2 -26,-0.2 0.808 91.8 11.2 -70.8 -33.6 10.7 3.0 123.9 176 178 A R E -d 149 0A 61 -28,-1.0 -26,-2.4 -5,-0.0 2,-0.5 -0.996 63.7-147.0-147.7 144.1 12.1 3.8 120.5 177 179 A Y E -de 150 194A 4 16,-1.6 18,-3.3 -2,-0.3 2,-0.5 -0.964 18.0-151.6-113.7 128.2 14.1 2.0 117.9 178 180 A I E +de 151 195A 0 -28,-3.2 -26,-3.0 -2,-0.5 2,-0.3 -0.880 16.2 177.9-108.3 123.9 16.6 4.0 115.8 179 181 A F E - e 0 196A 1 16,-2.5 18,-3.3 -2,-0.5 -26,-0.1 -0.864 34.2-131.7-120.6 154.7 17.6 3.1 112.3 180 182 A H S S+ 0 0 22 -28,-0.3 -1,-0.1 -2,-0.3 -27,-0.1 0.930 91.8 18.9 -67.9 -45.9 19.9 4.7 109.7 181 183 A L S > S- 0 0 5 16,-0.1 2,-2.7 15,-0.1 3,-2.1 -0.937 80.2-109.8-130.6 152.7 17.4 4.4 106.9 182 184 A P T 3 S+ 0 0 86 0, 0.0 14,-0.1 0, 0.0 -2,-0.0 -0.186 112.3 60.5 -72.2 50.1 13.6 3.9 106.5 183 185 A E T 3 S+ 0 0 86 -2,-2.7 -27,-0.1 3,-0.0 163,-0.0 0.283 88.6 66.0-150.3 -8.4 14.2 0.4 105.1 184 186 A Y S < S+ 0 0 9 -3,-2.1 2,-1.1 -29,-0.1 -30,-0.1 0.319 74.8 109.6 -99.4 3.7 15.9 -1.2 108.0 185 187 A V - 0 0 42 -4,-0.2 6,-0.1 -6,-0.1 -28,-0.1 -0.680 66.4-141.3 -88.7 94.9 12.7 -0.9 110.1 186 188 A Q > - 0 0 16 -2,-1.1 3,-1.6 1,-0.1 -29,-0.1 -0.221 9.6-132.5 -55.5 136.4 11.3 -4.4 110.6 187 189 A P T 3 S+ 0 0 106 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.815 99.8 77.3 -59.0 -33.8 7.5 -4.6 110.3 188 190 A E T 3 S+ 0 0 65 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.636 91.6 73.1 -52.5 -13.7 7.4 -6.7 113.6 189 191 A L S < S- 0 0 18 -3,-1.6 2,-0.9 -4,-0.0 5,-0.1 -0.520 96.4-100.4-100.9 169.2 7.9 -3.3 115.3 190 192 A D > - 0 0 76 -2,-0.2 3,-3.2 1,-0.1 -2,-0.1 -0.771 22.2-155.0 -95.5 99.7 5.6 -0.3 115.8 191 193 A R G > S+ 0 0 226 -2,-0.9 3,-0.9 1,-0.3 -1,-0.1 0.646 92.7 66.5 -45.6 -17.8 6.4 2.3 113.2 192 194 A N G 3 S+ 0 0 121 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.837 104.2 43.0 -75.4 -31.2 5.0 4.8 115.6 193 195 A K G < S+ 0 0 52 -3,-3.2 -16,-1.6 -17,-0.0 2,-0.4 -0.153 96.7 102.2-106.4 38.2 7.8 4.2 118.1 194 196 A A E < -e 177 0A 26 -3,-0.9 2,-0.4 -18,-0.2 -16,-0.2 -0.934 52.6-157.9-121.6 144.8 10.6 4.1 115.4 195 197 A V E -e 178 0A 31 -18,-3.3 -16,-2.5 -2,-0.4 2,-0.6 -0.981 10.3-144.6-129.4 131.1 13.1 6.8 114.6 196 198 A I E +e 179 0A 74 -2,-0.4 -16,-0.2 -18,-0.2 -15,-0.1 -0.807 28.7 164.1 -92.2 121.3 15.1 7.5 111.4 197 199 A M - 0 0 1 -18,-3.3 -16,-0.1 -2,-0.6 -2,-0.1 -0.835 25.8-149.3-140.7 97.5 18.5 8.8 112.2 198 200 A P - 0 0 8 0, 0.0 -17,-0.1 0, 0.0 -18,-0.1 -0.298 29.5-112.1 -61.7 151.8 21.1 8.7 109.5 199 201 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -20,-0.0 -0.048 36.8-142.7 -72.5-167.7 24.6 8.3 111.0 200 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-68.6 -5.0 78.0 23.8 128.9 449 38 B L T > S+ 0 0 4 3,-0.1 3,-0.7 374,-0.0 -1,-0.3 0.131 87.6 149.9-127.0 14.3 75.9 26.9 129.5 450 39 B K T < + 0 0 146 -3,-1.9 32,-0.2 1,-0.2 -3,-0.1 -0.148 66.3 7.0 -53.2 140.2 73.4 25.3 131.8 451 40 B G T 3 S+ 0 0 61 30,-2.9 -1,-0.2 1,-0.2 2,-0.2 0.877 97.1 137.8 53.1 47.3 71.8 27.5 134.5 452 41 B R < - 0 0 95 -3,-0.7 31,-1.5 29,-0.4 2,-0.5 -0.651 57.2-102.0-116.0 173.7 73.4 30.8 133.3 453 42 B S E +n 483 0D 16 -2,-0.2 87,-1.1 29,-0.1 2,-0.3 -0.860 37.7 166.0-101.0 125.1 72.2 34.4 132.8 454 43 B F E -no 484 540D 1 29,-1.4 31,-1.5 -2,-0.5 2,-0.3 -0.758 14.4-179.1-139.0 86.5 71.3 35.5 129.3 455 44 B V E -no 485 541D 0 85,-2.0 87,-2.7 -2,-0.3 2,-0.4 -0.636 12.7-156.5 -93.5 149.3 69.4 38.8 129.3 456 45 B H E -no 486 542D 0 29,-2.1 31,-3.0 -2,-0.3 2,-0.4 -0.970 8.2-169.1-123.7 136.7 68.1 40.7 126.3 457 46 B V E +no 487 543D 0 85,-2.1 87,-3.2 -2,-0.4 2,-0.3 -0.985 19.4 134.7-129.9 136.8 67.3 44.5 126.3 458 47 B N E -n 488 0D 7 29,-1.1 31,-1.8 -2,-0.4 87,-0.1 -0.941 57.5 -84.5-161.9-175.1 65.4 46.6 123.7 459 48 B S S S- 0 0 10 85,-0.3 2,-0.3 -2,-0.3 29,-0.1 0.755 94.9 -6.4 -74.1 -31.6 62.9 49.3 122.7 460 49 B T - 0 0 40 2,-0.1 -1,-0.2 1,-0.1 30,-0.0 -0.988 35.4-149.4-166.4 156.8 59.7 47.3 122.6 461 50 B S S S+ 0 0 11 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.304 95.0 49.9-108.4 4.4 58.0 43.9 122.8 462 51 B F S S+ 0 0 159 1,-0.3 6,-0.2 5,-0.0 2,-0.1 0.713 99.9 41.0-105.2 -91.3 55.1 44.9 120.5 463 52 B G S S+ 0 0 56 4,-0.1 -1,-0.3 3,-0.0 4,-0.2 -0.383 94.4 49.7 -65.5 136.0 55.9 46.5 117.1 464 53 B G S > S- 0 0 51 2,-0.1 4,-1.3 -2,-0.1 5,-0.0 -0.355 77.3-105.2 121.8 158.5 58.9 45.0 115.3 465 54 B G H > S+ 0 0 47 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.826 116.7 61.5 -85.2 -37.0 60.5 41.8 114.1 466 55 B V H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.908 108.6 43.9 -53.5 -43.8 63.1 42.1 116.8 467 56 B A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.953 111.6 52.1 -66.9 -48.6 60.3 41.8 119.3 468 57 B E H < S+ 0 0 101 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.818 110.0 51.6 -57.4 -31.1 58.6 39.0 117.3 469 58 B I H >X S+ 0 0 41 -4,-2.7 4,-2.8 1,-0.2 3,-0.7 0.904 108.5 48.5 -73.0 -43.5 61.9 37.2 117.4 470 59 B L H 3X S+ 0 0 1 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.842 100.5 65.0 -66.1 -36.6 62.5 37.4 121.1 471 60 B H H 3< S+ 0 0 27 -4,-2.2 -46,-0.4 1,-0.2 -1,-0.2 0.773 117.5 28.6 -58.2 -26.1 58.9 36.2 121.9 472 61 B S H <> S+ 0 0 2 -3,-0.7 4,-1.6 -4,-0.5 -2,-0.2 0.763 122.0 52.3-102.1 -36.0 60.0 32.9 120.4 473 62 B L H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -3,-0.2 0.857 105.4 51.0 -70.8 -40.9 63.7 33.0 121.1 474 63 B V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 10,-0.2 0.970 111.9 45.8 -64.3 -53.9 63.6 33.7 124.9 475 64 B P H > S+ 0 0 5 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.948 113.6 53.0 -51.5 -49.2 61.2 30.9 125.7 476 65 B L H < S+ 0 0 0 -4,-1.6 -49,-0.4 1,-0.2 -2,-0.2 0.890 109.1 46.0 -53.2 -48.5 63.3 28.7 123.5 477 66 B L H ><>S+ 0 0 1 -4,-2.4 5,-1.7 2,-0.2 3,-1.4 0.909 112.1 54.8 -62.5 -40.0 66.5 29.5 125.3 478 67 B R H ><5S+ 0 0 91 -4,-2.8 3,-2.5 1,-0.3 4,-0.4 0.988 104.9 50.8 -53.9 -67.6 64.7 29.0 128.5 479 68 B S T 3<5S+ 0 0 61 -4,-2.8 -1,-0.3 -54,-0.4 -2,-0.2 0.362 105.3 59.5 -56.8 6.3 63.5 25.4 127.6 480 69 B I T < 5S- 0 0 16 -3,-1.4 -1,-0.3 2,-0.3 -2,-0.2 0.446 126.1 -84.8-115.3 -0.6 67.1 24.4 126.7 481 70 B G T < 5S+ 0 0 34 -3,-2.5 -30,-2.9 -4,-0.4 2,-0.5 0.423 91.6 113.6 116.7 -1.0 68.8 25.0 130.0 482 71 B I < - 0 0 4 -5,-1.7 2,-2.8 -4,-0.4 -1,-0.3 -0.897 66.5-129.9-109.1 131.2 69.7 28.7 129.9 483 72 B E E + n 0 453D 99 -31,-1.5 -29,-1.4 -2,-0.5 -5,-0.1 -0.389 41.9 177.6 -75.2 67.2 68.1 31.2 132.3 484 73 B A E + n 0 454D 0 -2,-2.8 2,-0.3 -10,-0.2 -29,-0.2 -0.245 2.9 176.2 -66.4 161.1 67.2 33.6 129.5 485 74 B R E - n 0 455D 66 -31,-1.5 -29,-2.1 2,-0.0 2,-0.5 -0.920 19.2-142.5-167.8 143.8 65.3 36.8 130.4 486 75 B W E -Mn 417 456D 0 -69,-0.7 -69,-2.8 -2,-0.3 2,-0.4 -0.949 14.2-179.0-125.2 119.8 64.0 39.8 128.5 487 76 B F E -Mn 416 457D 1 -31,-3.0 -29,-1.1 -2,-0.5 -71,-0.2 -0.895 11.6-157.8-112.3 142.1 63.9 43.5 129.7 488 77 B V E - n 0 458D 0 -73,-1.5 2,-0.4 -2,-0.4 -29,-0.2 -0.595 17.6-109.6-112.2 174.0 62.5 46.4 127.7 489 78 B I - 0 0 9 -31,-1.8 2,-0.4 -2,-0.2 37,-0.1 -0.869 20.2-148.9-111.4 142.0 63.1 50.2 127.8 490 79 B E + 0 0 84 -2,-0.4 39,-0.2 35,-0.2 -30,-0.0 -0.839 30.5 142.2-106.9 142.2 60.6 52.8 128.9 491 80 B G - 0 0 43 -2,-0.4 2,-0.1 -32,-0.1 -2,-0.0 -0.982 44.6 -97.2-172.8 160.8 60.5 56.4 127.5 492 81 B P >> - 0 0 68 0, 0.0 3,-3.6 0, 0.0 4,-1.1 -0.449 47.3-100.5 -82.6 158.0 58.5 59.4 126.3 493 82 B T H 3> S+ 0 0 103 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.837 122.9 64.1 -45.9 -38.0 57.6 60.1 122.7 494 83 B E H 3> S+ 0 0 140 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.640 101.4 51.6 -63.5 -13.7 60.4 62.6 122.6 495 84 B F H <> S+ 0 0 0 -3,-3.6 4,-1.6 2,-0.1 -1,-0.2 0.849 111.3 43.4 -90.0 -40.4 62.8 59.7 123.2 496 85 B F H X S+ 0 0 61 -4,-1.1 4,-3.3 2,-0.2 5,-0.2 0.883 109.8 56.2 -72.1 -40.8 61.6 57.5 120.4 497 86 B N H X S+ 0 0 71 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.909 109.4 47.2 -58.2 -41.4 61.4 60.3 117.9 498 87 B V H X S+ 0 0 14 -4,-0.6 4,-3.2 -5,-0.3 -1,-0.2 0.904 114.6 46.5 -66.1 -40.4 65.0 61.1 118.5 499 88 B T H X S+ 0 0 10 -4,-1.6 4,-3.0 2,-0.3 -2,-0.2 0.831 106.1 58.0 -70.5 -32.7 65.8 57.4 118.2 500 89 B K H X S+ 0 0 103 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.904 111.9 43.7 -62.3 -36.9 63.7 57.2 115.1 501 90 B T H X S+ 0 0 35 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.972 109.4 53.8 -69.4 -55.6 66.1 59.8 113.8 502 91 B F H X S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.903 109.8 53.4 -41.1 -48.7 69.2 58.1 115.2 503 92 B H H X S+ 0 0 63 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.964 112.6 37.7 -51.9 -66.7 67.9 55.1 113.2 504 93 B N H < S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 114.8 57.9 -63.3 -21.0 67.6 56.8 109.8 505 94 B A H < S+ 0 0 0 -4,-2.8 68,-2.6 1,-0.2 3,-0.5 0.919 106.5 47.7 -72.8 -44.3 70.7 58.7 110.5 506 95 B L H < S+ 0 0 2 -4,-2.8 2,-0.9 -5,-0.3 65,-0.2 0.778 106.3 59.8 -66.3 -28.9 72.6 55.5 111.0 507 96 B Q S < S- 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 -0.442 126.0 -88.6 -97.9 59.5 71.2 54.1 107.8 508 97 B G S S+ 0 0 15 -2,-0.9 65,-0.4 -3,-0.5 -1,-0.2 -0.536 79.8 131.3 76.3-136.3 72.6 56.9 105.6 509 98 B N > - 0 0 89 -2,-0.2 2,-1.5 1,-0.2 3,-1.1 0.964 37.5-168.2 47.5 67.3 70.5 60.0 105.3 510 99 B E T 3 + 0 0 128 1,-0.2 -1,-0.2 62,-0.1 -5,-0.1 -0.228 67.1 83.6 -83.0 50.2 73.4 62.3 106.1 511 100 B S T 3 + 0 0 99 -2,-1.5 2,-0.2 -3,-0.2 -1,-0.2 0.374 64.0 98.1-127.0 -6.2 71.1 65.3 106.4 512 101 B L < - 0 0 46 -3,-1.1 2,-0.5 -11,-0.1 63,-0.1 -0.619 64.5-140.8 -86.3 146.8 69.9 64.8 110.0 513 102 B K - 0 0 153 -2,-0.2 2,-0.6 62,-0.1 -12,-0.0 -0.941 2.5-147.0-114.0 126.3 71.7 66.8 112.8 514 103 B L - 0 0 20 -2,-0.5 2,-0.3 4,-0.1 -16,-0.0 -0.794 25.4-172.9 -90.9 125.5 72.5 65.3 116.2 515 104 B T > - 0 0 59 -2,-0.6 4,-2.7 1,-0.1 3,-0.2 -0.781 37.6-111.6-118.7 162.7 72.3 68.0 118.9 516 105 B E H > S+ 0 0 108 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.875 116.8 59.7 -57.3 -41.4 73.1 68.1 122.6 517 106 B E H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.948 111.6 42.5 -51.6 -48.1 69.4 68.3 123.6 518 107 B M H > S+ 0 0 35 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.935 114.1 49.7 -64.1 -49.8 69.1 65.0 121.8 519 108 B K H X S+ 0 0 55 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.904 111.8 48.9 -56.2 -46.5 72.3 63.5 123.3 520 109 B E H X S+ 0 0 118 -4,-3.5 4,-2.6 2,-0.2 5,-0.2 0.958 113.1 47.3 -59.2 -51.4 71.3 64.5 126.8 521 110 B L H X S+ 0 0 48 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.953 113.5 47.5 -54.1 -57.3 67.8 63.0 126.4 522 111 B Y H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.961 115.5 43.1 -47.8 -66.5 69.1 59.8 125.0 523 112 B L H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.812 113.6 53.1 -52.1 -37.3 71.8 59.2 127.6 524 113 B N H X S+ 0 0 69 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.956 106.0 51.1 -66.3 -49.7 69.5 60.3 130.4 525 114 B V H X S+ 0 0 15 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.901 113.7 47.7 -54.1 -38.2 66.8 57.8 129.4 526 115 B N H < S+ 0 0 4 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.3 0.857 109.3 51.9 -70.3 -37.3 69.6 55.2 129.4 527 116 B R H < S+ 0 0 92 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.909 114.4 44.0 -65.9 -42.3 70.9 56.3 132.8 528 117 B E H >< S+ 0 0 88 -4,-2.9 3,-3.3 1,-0.2 -2,-0.2 0.986 109.2 50.4 -67.0 -63.5 67.4 56.0 134.3 529 118 B N G >< S+ 0 0 5 -4,-2.2 3,-0.6 1,-0.3 4,-0.5 0.626 103.5 67.4 -52.9 -10.1 66.1 52.7 132.9 530 119 B S G 3 S+ 0 0 9 -4,-0.5 -1,-0.3 -3,-0.2 5,-0.2 0.466 86.9 65.8 -90.1 -2.5 69.5 51.4 134.2 531 120 B K G < S+ 0 0 138 -3,-3.3 -1,-0.2 1,-0.1 -2,-0.1 0.082 92.3 63.7-104.6 22.6 68.5 51.9 137.9 532 121 B F S < S+ 0 0 100 -3,-0.6 2,-0.4 1,-0.3 -2,-0.1 0.744 109.8 21.7-110.3 -43.0 65.8 49.3 137.7 533 122 B I S S- 0 0 40 -4,-0.5 2,-1.6 -118,-0.0 -1,-0.3 -0.975 73.6-128.4-135.1 122.5 67.7 46.1 137.0 534 123 B D > + 0 0 76 -2,-0.4 3,-1.3 1,-0.2 4,-0.2 -0.495 29.3 179.4 -69.6 91.4 71.4 45.4 137.7 535 124 B L G > S+ 0 0 0 -2,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.799 72.2 68.0 -64.0 -32.3 72.4 44.1 134.2 536 125 B S G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -3,-0.1 22,-0.2 0.625 86.9 71.6 -65.9 -11.4 76.0 43.6 135.2 537 126 B S G < S+ 0 0 65 -3,-1.3 -1,-0.3 21,-0.1 2,-0.2 0.612 81.2 89.4 -79.9 -13.5 74.9 40.8 137.5 538 127 B F S < S- 0 0 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17,-2.4 19,-2.4 -2,-0.5 -22,-0.3 -0.963 49.2 -81.3-159.0 177.3 66.1 38.4 92.3 756 345 B R E - x 0 774F 31 -24,-1.6 2,-1.9 -2,-0.3 -22,-0.2 -0.571 45.2-106.9 -88.5 149.4 69.0 40.9 92.1 757 346 B A S S+ 0 0 44 17,-0.6 2,-0.3 -2,-0.2 -1,-0.1 -0.542 74.0 126.5 -74.7 84.7 72.5 40.2 93.5 758 347 B V >> - 0 0 28 -2,-1.9 3,-1.6 -22,-0.1 4,-1.2 -0.980 66.0 -40.8-143.7 154.8 72.2 42.6 96.5 759 348 B G H >> S- 0 0 6 -2,-0.3 3,-1.1 1,-0.3 4,-0.6 0.158 124.0 -8.9 29.1-129.2 72.6 42.6 100.2 760 349 B G H 3> S+ 0 0 0 -22,-3.6 4,-1.6 1,-0.2 -1,-0.3 0.656 126.3 73.6 -68.8 -15.8 71.2 39.4 101.8 761 350 B I H <> S+ 0 0 1 -3,-1.6 4,-1.6 -23,-0.4 -1,-0.2 0.778 94.6 50.9 -70.2 -26.2 69.6 38.3 98.5 762 351 B K H << S+ 0 0 120 -4,-1.2 -1,-0.2 -3,-1.1 5,-0.2 0.757 111.5 49.3 -80.4 -26.1 72.9 37.3 97.0 763 352 B F H < S+ 0 0 97 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.774 114.7 42.1 -82.6 -29.3 73.7 35.3 100.1 764 353 B Q H < S+ 0 0 0 -4,-1.6 2,-0.5 -25,-0.2 -2,-0.2 0.864 100.0 74.3 -87.3 -40.3 70.5 33.4 100.3 765 354 B I < - 0 0 7 -4,-1.6 2,-1.1 -5,-0.2 -1,-0.1 -0.651 63.2-158.2 -82.1 123.1 69.9 32.5 96.6 766 355 B V >>> - 0 0 41 -2,-0.5 3,-2.8 6,-0.0 4,-2.1 -0.812 33.4-124.2 -97.4 92.0 72.2 29.8 95.3 767 356 B D B 345S+y 771 0F 86 -2,-1.1 5,-0.2 1,-0.3 -13,-0.0 -0.050 88.2 7.1 -42.5 125.6 71.9 30.7 91.6 768 357 B G T 345S+ 0 0 44 3,-2.4 -1,-0.3 1,-0.1 4,-0.1 0.242 129.4 61.0 85.1 -14.2 70.7 27.9 89.4 769 358 B E T <45S+ 0 0 113 -3,-2.8 32,-0.2 2,-0.5 31,-0.2 0.823 120.0 7.6-110.2 -49.2 70.0 25.8 92.4 770 359 B T T <5S- 0 0 6 -4,-2.1 -17,-0.9 1,-0.4 2,-0.3 0.339 131.5 -41.7-116.0 1.2 67.4 27.4 94.7 771 360 B G E S- 0 0 62 1,-0.0 4,-0.9 -117,-0.0 -1,-0.1 -0.804 81.0 -91.5-145.7-172.9 68.2 43.1 84.8 777 366 B A H > S+ 0 0 5 -2,-0.2 4,-1.9 2,-0.2 5,-0.1 0.817 116.1 56.0 -78.9 -35.7 64.4 42.7 83.9 778 367 B N H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.872 110.7 46.4 -66.9 -31.9 64.7 41.0 80.6 779 368 B E H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.808 111.3 52.8 -75.1 -31.2 66.9 38.3 82.2 780 369 B A H X S+ 0 0 0 -4,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.805 106.9 53.8 -72.4 -30.8 64.3 38.1 85.0 781 370 B V H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.925 104.9 54.0 -68.5 -45.1 61.7 37.7 82.3 782 371 B E H X S+ 0 0 128 -4,-1.7 4,-2.9 1,-0.2 3,-0.3 0.959 111.0 43.8 -52.5 -58.8 63.5 34.7 80.8 783 372 B V H X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.806 109.0 57.4 -61.1 -32.1 63.8 32.8 84.0 784 373 B V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.912 112.1 41.9 -66.2 -41.1 60.2 33.5 85.0 785 374 B L H X S+ 0 0 37 -4,-2.1 4,-3.0 -3,-0.3 5,-0.3 0.919 113.1 54.4 -70.1 -43.1 59.0 31.9 81.7 786 375 B Y H X S+ 0 0 103 -4,-2.9 4,-2.7 -5,-0.2 3,-0.5 0.980 113.6 40.6 -50.8 -67.3 61.5 29.1 82.1 787 376 B L H < S+ 0 0 3 -4,-2.6 7,-0.4 1,-0.3 -1,-0.2 0.866 114.9 51.7 -48.2 -47.5 60.2 28.2 85.5 788 377 B L H < S+ 0 0 37 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.898 114.4 44.4 -60.1 -38.6 56.6 28.7 84.5 789 378 B K H < S+ 0 0 169 -4,-3.0 -2,-0.2 -3,-0.5 -1,-0.2 0.869 117.9 44.4 -73.9 -35.7 57.1 26.4 81.6 790 379 B H >X + 0 0 69 -4,-2.7 4,-2.1 -5,-0.3 3,-1.4 -0.515 63.8 168.1-111.2 66.0 59.1 23.8 83.6 791 380 B P H 3> S+ 0 0 69 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.791 75.8 58.2 -45.0 -41.2 57.1 23.2 86.9 792 381 B E H 3> S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.889 108.8 46.7 -60.6 -37.3 59.1 20.1 87.8 793 382 B V H <> S+ 0 0 40 -3,-1.4 4,-2.6 2,-0.2 5,-0.3 0.966 112.4 49.9 -67.0 -50.4 62.3 22.2 87.7 794 383 B S H X S+ 0 0 17 -4,-2.1 4,-2.2 -7,-0.4 -2,-0.2 0.925 108.9 51.8 -52.3 -48.3 60.6 24.9 89.7 795 384 B K H X S+ 0 0 123 -4,-3.7 4,-2.1 1,-0.2 -1,-0.3 0.871 109.9 51.8 -58.2 -36.9 59.5 22.3 92.2 796 385 B E H X S+ 0 0 109 -4,-1.8 4,-2.2 -3,-0.2 5,-0.3 0.984 108.1 47.3 -62.7 -60.1 63.1 21.1 92.4 797 386 B M H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.842 112.2 54.3 -50.3 -35.7 64.6 24.5 93.1 798 387 B G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -48,-0.3 0.933 105.7 49.4 -66.3 -47.5 61.9 25.1 95.7 799 388 B A H X S+ 0 0 53 -4,-2.1 4,-2.5 -3,-0.3 -2,-0.2 0.931 113.6 46.5 -57.1 -50.2 62.7 21.9 97.6 800 389 B K H X S+ 0 0 102 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.946 110.7 53.3 -57.0 -49.6 66.4 22.7 97.7 801 390 B A H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.866 107.4 51.9 -55.5 -38.4 65.6 26.3 98.8 802 391 B K H X S+ 0 0 44 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.963 109.8 48.3 -64.4 -47.9 63.5 24.9 101.6 803 392 B E H X S+ 0 0 85 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.887 105.6 58.8 -56.9 -42.4 66.3 22.7 102.8 804 393 B R H X S+ 0 0 62 -4,-2.8 4,-0.9 1,-0.2 5,-0.3 0.929 110.6 42.2 -54.8 -45.8 68.7 25.6 102.6 805 394 B V H >X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 3,-0.8 0.931 110.3 55.7 -66.8 -46.7 66.6 27.6 105.0 806 395 B R H 3< S+ 0 0 63 -4,-2.6 4,-0.3 1,-0.3 -2,-0.2 0.916 117.1 37.3 -51.2 -45.3 65.9 24.6 107.3 807 396 B K H 3< S+ 0 0 131 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.578 134.4 18.8 -86.9 -7.9 69.7 24.1 107.7 808 397 B N H << S+ 0 0 52 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.2 0.731 122.5 33.8-130.9 -37.0 70.7 27.8 107.7 809 398 B F S < S+ 0 0 2 -4,-2.0 -195,-2.1 -5,-0.3 2,-0.3 -0.064 77.1 118.4-123.3 36.1 68.0 30.4 108.5 810 399 B I B > S-s 614 0E 0 -5,-0.4 4,-1.9 -4,-0.3 3,-0.4 -0.728 73.4-113.2 -99.0 148.9 65.6 28.9 111.0 811 400 B I H > S+ 0 0 0 -197,-1.8 4,-2.1 -2,-0.3 -196,-0.1 0.743 117.3 53.5 -53.0 -26.6 65.1 30.4 114.5 812 401 B T H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.923 109.3 45.5 -75.4 -43.7 66.6 27.2 116.1 813 402 B K H > S+ 0 0 37 -3,-0.4 4,-1.2 1,-0.2 -2,-0.2 0.761 111.8 57.4 -66.9 -22.5 69.8 27.4 114.0 814 403 B H H X S+ 0 0 5 -4,-1.9 4,-1.2 2,-0.2 3,-0.4 0.964 107.8 43.9 -69.7 -52.6 69.6 31.1 115.0 815 404 B M H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.8 0.937 108.9 57.3 -56.0 -51.6 69.6 30.2 118.7 816 405 B E H 3X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.844 100.4 59.4 -50.1 -37.4 72.4 27.7 118.2 817 406 B R H 3X S+ 0 0 42 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.3 0.920 102.9 51.1 -59.7 -43.5 74.5 30.4 116.7 818 407 B Y H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 3,-0.6 0.993 103.8 53.8 -59.5 -59.1 75.4 29.2 121.7 820 409 B D H 3< S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 111.9 48.5 -43.2 -33.9 78.4 29.0 119.5 821 410 B I H 3< S+ 0 0 12 -4,-1.5 3,-0.3 2,-0.2 -1,-0.3 0.876 110.5 46.3 -78.2 -42.2 79.2 32.6 120.6 822 411 B L H X< S+ 0 0 4 -4,-2.4 3,-1.8 -3,-0.6 -2,-0.2 0.910 114.0 47.8 -68.6 -40.7 78.7 32.2 124.4 823 412 B N T 3< S+ 0 0 62 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.555 103.5 69.4 -73.3 -4.5 80.8 29.0 124.3 824 413 B S T 3 0 0 63 -5,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.546 360.0 360.0 -87.3 -10.8 83.1 31.3 122.3 825 414 B L < 0 0 77 -3,-1.8 -3,-0.0 -4,-0.2 0, 0.0 -0.316 360.0 360.0-106.3 360.0 83.8 33.4 125.4