==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-OCT-03 1UR5 . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AURANTIACUS; . AUTHOR A.BJORK,B.DALHUS,D.MANTZILAS,V.G.H.EIJSINK,R.SIREVAG . 598 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 10.4 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 2 2 0 6 0 0 2 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 0 0 1 0 1 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 2 A R 0 0 183 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 156.3 80.6 50.0 49.7 2 3 A K - 0 0 96 23,-0.3 25,-2.7 68,-0.0 2,-0.4 -0.292 360.0-139.6 -69.4 162.6 76.8 50.0 49.8 3 4 A K E -a 27 0A 53 23,-0.2 68,-2.9 66,-0.1 69,-1.4 -0.992 17.0-173.8-132.7 126.8 75.1 53.4 49.6 4 5 A I E -ab 28 72A 0 23,-2.9 25,-2.6 -2,-0.4 2,-0.5 -0.980 6.3-161.9-122.6 125.8 72.1 54.6 51.6 5 6 A S E -ab 29 73A 0 67,-2.3 69,-3.0 -2,-0.5 2,-0.6 -0.918 3.0-161.7-108.0 130.4 70.3 57.9 51.0 6 7 A I E -ab 30 74A 0 23,-3.2 25,-2.8 -2,-0.5 2,-0.7 -0.955 6.6-153.9-114.2 115.0 68.1 59.3 53.7 7 8 A I E S+ab 31 75A 3 67,-3.3 69,-2.9 -2,-0.6 25,-0.2 -0.804 72.5 35.3 -92.9 111.0 65.6 61.9 52.5 8 9 A G - 0 0 5 23,-3.4 2,-0.3 -2,-0.7 24,-0.2 0.512 66.5-150.0 110.5 99.9 64.7 64.2 55.4 9 10 A A + 0 0 0 4,-0.2 23,-0.1 22,-0.1 68,-0.1 -0.188 56.3 118.1 -94.0 42.3 67.5 65.1 57.9 10 11 A G S > S- 0 0 32 66,-0.6 4,-2.7 -2,-0.3 5,-0.4 0.053 86.2 -61.2 -87.1-157.5 65.2 65.6 60.9 11 12 A F H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.921 135.0 39.1 -55.4 -52.8 65.1 63.6 64.1 12 13 A V H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 118.0 48.3 -67.2 -46.1 64.3 60.2 62.6 13 14 A G H > S+ 0 0 0 63,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.917 114.6 43.6 -61.5 -45.8 66.5 60.6 59.6 14 15 A S H X S+ 0 0 23 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.886 114.2 50.4 -68.3 -38.2 69.6 61.7 61.4 15 16 A T H X S+ 0 0 30 -4,-1.8 4,-1.9 -5,-0.4 -1,-0.2 0.903 110.3 50.7 -66.2 -39.3 69.2 59.1 64.2 16 17 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.909 108.1 53.0 -63.1 -42.1 68.8 56.4 61.5 17 18 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.897 105.5 55.6 -60.5 -39.7 72.0 57.7 59.8 18 19 A H H X S+ 0 0 75 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.945 109.4 43.9 -60.4 -49.2 73.8 57.4 63.1 19 20 A W H X S+ 0 0 87 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.917 114.4 49.6 -63.7 -42.8 73.0 53.7 63.6 20 21 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 6,-0.4 0.889 113.7 46.0 -62.8 -40.1 73.7 52.8 60.0 21 22 A A H ><5S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.2 -2,-0.2 0.918 108.9 54.7 -68.9 -44.2 77.1 54.6 60.2 22 23 A A H 3<5S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.1 47.6 -57.7 -35.8 78.0 53.0 63.5 23 24 A K T 3<5S- 0 0 111 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.351 108.3-127.5 -87.9 6.0 77.4 49.6 62.1 24 25 A E T < 5 + 0 0 101 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.827 56.0 151.5 50.4 38.4 79.5 50.4 58.9 25 26 A L < - 0 0 16 -5,-2.2 -23,-0.3 1,-0.2 2,-0.3 0.698 62.4 -59.1 -73.0 -18.7 76.6 49.3 56.7 26 27 A G S S- 0 0 2 -6,-0.4 -23,-0.2 -25,-0.1 -1,-0.2 -0.924 70.7 -47.4 159.7 175.6 77.6 51.7 53.9 27 28 A D E -a 3 0A 38 -25,-2.7 -23,-2.9 -2,-0.3 2,-0.4 -0.517 56.9-145.0 -72.1 142.0 78.2 55.3 52.8 28 29 A I E -ac 4 58A 1 29,-3.1 31,-2.5 -25,-0.2 2,-0.5 -0.928 14.9-167.5-117.5 133.9 75.3 57.5 54.0 29 30 A V E -ac 5 59A 9 -25,-2.6 -23,-3.2 -2,-0.4 2,-0.6 -0.975 6.9-161.6-120.1 117.9 73.9 60.5 52.2 30 31 A L E -ac 6 60A 0 29,-3.2 31,-2.7 -2,-0.5 2,-0.4 -0.889 13.2-172.8 -99.5 120.1 71.6 62.8 54.2 31 32 A L E +ac 7 61A 5 -25,-2.8 -23,-3.4 -2,-0.6 2,-0.3 -0.903 10.9 160.3-117.0 143.9 69.4 65.0 52.0 32 33 A D - 0 0 26 29,-1.8 4,-0.1 -2,-0.4 45,-0.0 -0.981 44.0-127.7-153.9 158.9 67.1 67.9 53.0 33 34 A I S S+ 0 0 156 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.775 90.4 84.2 -79.8 -27.8 65.4 70.9 51.5 34 35 A V S S- 0 0 76 1,-0.1 3,-0.3 -3,-0.1 2,-0.1 -0.646 84.7-125.2 -80.3 125.3 66.8 73.2 54.2 35 36 A E S S+ 0 0 164 -2,-0.5 2,-0.7 1,-0.2 -2,-0.1 -0.402 86.6 12.4 -70.3 144.2 70.4 74.3 53.4 36 37 A G S > S+ 0 0 45 1,-0.1 4,-2.8 -4,-0.1 5,-0.2 -0.162 104.3 89.0 86.5 -42.1 73.0 73.7 56.0 37 38 A V H > S+ 0 0 54 -2,-0.7 4,-2.6 -3,-0.3 5,-0.3 0.964 92.2 38.3 -55.3 -60.9 71.0 71.3 58.2 38 39 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.885 116.9 53.0 -61.1 -35.9 71.9 68.0 56.5 39 40 A Q H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.923 111.8 45.7 -63.6 -43.7 75.5 69.2 56.0 40 41 A G H X S+ 0 0 43 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.911 114.3 46.1 -66.8 -44.3 75.9 70.0 59.6 41 42 A K H X S+ 0 0 69 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.888 113.6 50.5 -66.8 -36.8 74.3 66.8 60.9 42 43 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.914 112.3 45.7 -66.4 -44.0 76.4 64.8 58.5 43 44 A L H X S+ 0 0 92 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.898 110.7 53.5 -66.8 -40.4 79.7 66.4 59.5 44 45 A D H < S+ 0 0 111 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.937 112.9 44.1 -59.4 -47.0 78.8 66.1 63.2 45 46 A L H >< S+ 0 0 24 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.912 111.6 53.6 -63.7 -43.6 78.2 62.4 62.7 46 47 A Y H >< S+ 0 0 100 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.884 102.8 57.4 -59.8 -40.1 81.3 62.0 60.6 47 48 A E T 3< S+ 0 0 126 -4,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.616 98.2 61.6 -69.8 -9.5 83.5 63.6 63.3 48 49 A A T X> S+ 0 0 23 -3,-1.4 4,-2.4 -4,-0.4 3,-0.8 0.606 81.1 90.7 -88.3 -11.0 82.3 60.9 65.8 49 50 A S H <>>S+ 0 0 15 -3,-1.7 4,-2.3 -4,-0.4 5,-0.9 0.812 79.2 53.0 -57.1 -38.0 83.9 58.2 63.5 50 51 A P H 345S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.838 114.3 45.5 -68.9 -26.3 87.4 58.1 65.1 51 52 A I H <45S+ 0 0 149 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.919 121.2 35.2 -78.4 -46.6 85.7 57.6 68.5 52 53 A E H <5S- 0 0 87 -4,-2.4 -3,-0.2 2,-0.1 -1,-0.1 0.691 105.9-127.9 -82.2 -20.4 83.2 54.9 67.4 53 54 A G T <5 + 0 0 55 -4,-2.3 2,-0.4 -5,-0.3 -4,-0.1 0.861 54.0 142.2 78.7 38.7 85.6 53.4 64.9 54 55 A F < - 0 0 5 -5,-0.9 2,-0.7 2,-0.1 -1,-0.2 -0.913 39.0-153.9-116.9 140.8 83.6 53.3 61.7 55 56 A D + 0 0 114 -2,-0.4 2,-0.3 -34,-0.1 -28,-0.0 -0.764 48.8 114.6-112.6 85.0 84.8 53.8 58.2 56 57 A V - 0 0 6 -2,-0.7 2,-0.3 -10,-0.1 -29,-0.1 -0.987 65.0-112.0-147.5 141.8 81.9 55.1 56.0 57 58 A R - 0 0 165 -2,-0.3 -29,-3.1 2,-0.0 2,-0.5 -0.605 28.4-169.3 -77.5 132.6 81.4 58.4 54.3 58 59 A V E +c 28 0A 3 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.963 14.9 170.7-124.7 110.8 78.6 60.5 55.8 59 60 A T E -c 29 0A 67 -31,-2.5 -29,-3.2 -2,-0.5 2,-0.4 -0.918 23.2-145.5-124.8 149.8 77.7 63.5 53.7 60 61 A G E +c 30 0A 19 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.871 26.4 166.0-111.8 146.1 74.8 66.0 53.8 61 62 A T E -c 31 0A 10 -31,-2.7 -29,-1.8 -2,-0.4 3,-0.0 -0.973 42.8-155.2-154.7 165.7 73.3 67.6 50.7 62 63 A N S S+ 0 0 51 -2,-0.3 2,-0.6 -31,-0.2 -31,-0.1 0.282 79.6 89.4-120.2 -0.6 70.4 69.6 49.2 63 64 A N > - 0 0 93 1,-0.1 3,-1.7 2,-0.0 4,-0.2 -0.892 64.2-154.3-107.6 118.6 71.0 68.1 45.7 64 65 A Y G > S+ 0 0 33 -2,-0.6 3,-1.9 1,-0.3 4,-0.2 0.703 89.3 77.1 -60.8 -20.1 69.3 64.9 44.7 65 66 A A G > S+ 0 0 57 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.832 85.8 62.2 -60.5 -30.1 72.1 64.2 42.2 66 67 A D G < S+ 0 0 82 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.540 94.5 62.3 -73.4 -6.1 74.2 63.1 45.2 67 68 A T G X S+ 0 0 0 -3,-1.9 3,-0.8 -4,-0.2 -1,-0.2 0.428 76.0 132.9 -97.1 -1.4 71.8 60.3 46.0 68 69 A A T < + 0 0 23 -3,-1.3 34,-0.2 -4,-0.2 33,-0.1 -0.135 67.5 14.3 -54.7 143.4 72.4 58.5 42.6 69 70 A N T 3 S+ 0 0 127 32,-2.5 -1,-0.2 1,-0.2 2,-0.2 0.815 83.8 165.8 61.8 36.2 73.0 54.8 42.6 70 71 A S < - 0 0 4 -3,-0.8 -1,-0.2 1,-0.1 34,-0.2 -0.542 36.0-150.3 -81.5 148.6 71.8 54.2 46.1 71 72 A D S S+ 0 0 61 -68,-2.9 35,-1.8 1,-0.3 2,-0.4 0.790 86.5 20.0 -85.5 -31.0 71.1 50.6 47.3 72 73 A V E -bd 4 106A 0 -69,-1.4 -67,-2.3 33,-0.3 2,-0.5 -0.998 65.0-160.1-140.3 139.6 68.4 51.8 49.7 73 74 A I E -bd 5 107A 1 33,-2.5 35,-3.1 -2,-0.4 2,-0.5 -0.989 9.6-164.3-121.3 120.0 66.4 55.1 49.9 74 75 A V E -bd 6 108A 0 -69,-3.0 -67,-3.3 -2,-0.5 2,-0.6 -0.907 5.6-155.0-104.8 130.9 64.9 55.9 53.3 75 76 A V E +bd 7 109A 0 33,-2.5 35,-2.0 -2,-0.5 36,-0.9 -0.915 32.1 148.8-112.9 110.3 62.2 58.6 53.3 76 77 A T + 0 0 18 -69,-2.9 -66,-0.6 -2,-0.6 -63,-0.4 -0.489 38.3 108.7-133.5 57.7 61.7 60.5 56.6 77 78 A S + 0 0 30 -68,-0.1 -69,-0.1 10,-0.1 -1,-0.1 0.386 42.2 125.9-115.9 -1.0 60.6 63.9 55.3 78 79 A G 0 0 29 1,-0.1 9,-0.0 -3,-0.1 10,-0.0 -0.087 360.0 360.0 -60.4 159.7 57.0 63.9 56.3 79 80 A A 0 0 81 33,-0.2 -1,-0.1 4,-0.2 8,-0.1 -0.733 360.0 360.0 -86.1 360.0 55.4 66.7 58.4 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 89 A E > 0 0 168 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.7 42.5 65.1 56.0 82 90 A D H > + 0 0 109 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.737 360.0 63.4 -85.9 -26.3 45.0 68.0 55.6 83 91 A L H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.885 100.4 51.9 -63.9 -40.0 47.8 65.7 56.8 84 92 A I H > S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 109.5 50.8 -63.7 -40.3 47.3 63.5 53.7 85 93 A K H X S+ 0 0 121 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.961 112.9 42.4 -62.3 -56.3 47.5 66.5 51.4 86 94 A V H X S+ 0 0 72 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.955 119.0 43.7 -56.6 -55.4 50.7 68.0 52.8 87 95 A N H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.792 108.3 60.1 -63.1 -29.6 52.5 64.6 53.1 88 96 A A H X S+ 0 0 9 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.919 107.6 44.0 -65.6 -43.8 51.3 63.5 49.7 89 97 A D H X S+ 0 0 110 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.907 113.6 50.8 -67.2 -42.1 53.0 66.4 47.9 90 98 A I H X S+ 0 0 48 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.934 112.5 47.1 -60.1 -47.1 56.2 66.0 49.9 91 99 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.917 110.9 49.9 -62.7 -46.0 56.3 62.3 49.1 92 100 A R H X S+ 0 0 115 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 112.9 48.7 -60.8 -39.6 55.7 62.8 45.4 93 101 A A H X S+ 0 0 42 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.928 113.7 45.1 -65.8 -46.2 58.4 65.4 45.3 94 102 A C H X S+ 0 0 10 -4,-2.5 4,-2.2 -5,-0.2 3,-0.2 0.942 118.8 40.8 -63.5 -50.1 61.0 63.2 47.1 95 103 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.907 109.8 56.4 -67.8 -44.6 60.3 60.0 45.1 96 104 A S H < S+ 0 0 55 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.790 117.0 37.9 -60.1 -26.4 59.9 61.6 41.7 97 105 A Q H < S+ 0 0 94 -4,-1.0 4,-0.4 -3,-0.2 -1,-0.2 0.824 123.9 38.3 -92.6 -36.2 63.4 63.1 42.1 98 106 A A H >X S+ 0 0 1 -4,-2.2 4,-0.9 -5,-0.2 3,-0.9 0.911 105.3 62.2 -82.1 -46.4 65.1 60.2 43.9 99 107 A A G >< S+ 0 0 4 -4,-2.5 3,-1.1 1,-0.2 6,-0.2 0.892 100.3 52.6 -48.9 -52.4 63.7 57.1 42.2 100 108 A P G 34 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.812 108.3 52.0 -56.6 -31.6 65.0 57.8 38.7 101 109 A L G <4 S+ 0 0 66 -3,-0.9 -32,-2.5 -4,-0.4 -2,-0.2 0.658 117.8 36.0 -80.9 -17.5 68.6 58.3 40.0 102 110 A S X< + 0 0 1 -3,-1.1 3,-1.8 -4,-0.9 -1,-0.3 -0.567 67.9 167.8-135.4 69.2 68.6 55.0 41.9 103 111 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.696 77.3 47.3 -56.6 -25.2 66.6 52.5 39.7 104 112 A N T 3 S+ 0 0 137 -34,-0.2 2,-0.1 23,-0.1 -5,-0.0 0.264 88.8 119.0-103.1 12.2 67.7 49.4 41.6 105 113 A A < - 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0 0 7 -5,-2.2 -1,-0.2 -6,-0.2 -217,-0.2 -0.856 69.0 -77.5-133.5 167.8 64.8 33.0 57.5 456 163 C S > - 0 0 9 -219,-2.0 3,-1.5 -2,-0.3 4,-0.2 -0.356 30.2-134.6 -64.9 141.2 67.3 34.8 59.7 457 164 C V G > S+ 0 0 81 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.705 104.0 70.6 -68.6 -17.7 68.6 32.8 62.7 458 165 C E G 3 S+ 0 0 92 1,-0.2 -1,-0.3 -8,-0.0 24,-0.1 0.691 98.2 48.8 -71.3 -17.9 68.0 35.9 64.7 459 166 C D G < S+ 0 0 7 -3,-1.5 23,-2.2 22,-0.1 2,-0.5 0.350 91.5 88.6-104.8 5.5 64.3 35.4 64.4 460 167 C V E < +V 481 0E 0 -3,-0.9 2,-0.3 21,-0.2 21,-0.2 -0.912 50.3 173.5-108.4 125.1 64.1 31.7 65.4 461 168 C Q E +V 480 0E 8 19,-2.7 19,-2.1 -2,-0.5 2,-0.3 -0.938 2.9 174.3-127.7 151.9 63.7 30.8 69.1 462 169 C A E -V 479 0E 9 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.994 19.5-149.0-159.1 150.8 63.1 27.4 70.7 463 170 C M + 0 0 4 15,-2.0 12,-0.5 12,-0.4 2,-0.3 -0.910 22.5 159.9-121.4 146.9 62.8 25.6 74.0 464 171 C L - 0 0 6 -2,-0.3 2,-0.2 10,-0.1 -22,-0.1 -0.958 16.6-151.0-155.7 168.3 63.6 22.0 74.8 465 172 C M E +R 473 0D 4 8,-2.4 8,-3.3 -2,-0.3 2,-0.6 -0.731 47.2 41.6-136.9-176.9 64.4 19.9 77.9 466 173 C G E S-RS 472 559D 2 93,-2.0 93,-2.0 6,-0.2 6,-0.3 -0.680 86.9 -58.6 88.3-118.5 66.3 16.9 79.3 467 174 C G - 0 0 4 4,-1.1 6,-0.2 -2,-0.6 2,-0.1 -0.688 67.0 -53.4-146.9-159.7 69.8 16.1 78.2 468 175 C H S > S- 0 0 52 -2,-0.2 3,-2.2 3,-0.1 4,-0.2 -0.453 95.0 -13.7 -87.8 163.5 71.8 15.4 75.1 469 176 C G G > S+ 0 0 22 34,-0.4 3,-1.8 33,-0.3 -2,-0.1 -0.210 136.8 7.0 53.5-124.6 71.0 12.7 72.5 470 177 C D G 3 S+ 0 0 153 1,-0.3 -1,-0.3 3,-0.0 121,-0.1 0.692 131.2 58.2 -63.7 -18.8 68.5 10.1 73.6 471 178 C E G < S+ 0 0 31 -3,-2.2 -4,-1.1 32,-0.1 -1,-0.3 0.530 81.2 113.3 -88.4 -6.6 67.9 12.2 76.8 472 179 C M E < -R 466 0D 3 -3,-1.8 -6,-0.2 -6,-0.3 -4,-0.1 -0.445 55.4-154.0 -70.1 135.7 66.8 15.2 74.8 473 180 C V E -R 465 0D 0 -8,-3.3 -8,-2.4 -6,-0.2 2,-0.1 -0.880 14.6-153.8-110.8 96.6 63.2 16.2 75.1 474 181 C P - 0 0 14 0, 0.0 -10,-0.1 0, 0.0 3,-0.1 -0.443 13.0-173.9 -70.8 145.1 62.3 18.1 71.9 475 182 C L > + 0 0 5 -12,-0.5 3,-2.2 -2,-0.1 -12,-0.4 -0.492 15.3 164.0-139.2 66.8 59.4 20.6 72.1 476 183 C P G > S+ 0 0 34 0, 0.0 3,-0.9 0, 0.0 10,-0.4 0.798 76.1 67.5 -54.0 -31.3 58.7 21.9 68.6 477 184 C R G 3 S+ 0 0 119 1,-0.3 2,-0.4 -3,-0.1 9,-0.1 0.812 98.1 55.2 -60.3 -27.6 55.4 23.2 69.9 478 185 C F G < S+ 0 0 1 -3,-2.2 -15,-2.0 -15,-0.3 2,-0.3 -0.399 90.1 91.7-103.9 53.4 57.5 25.6 71.9 479 186 C S E < -V 462 0E 1 -3,-0.9 7,-1.7 -2,-0.4 8,-0.3 -0.988 50.0-179.9-142.6 143.2 59.5 27.2 69.1 480 187 C a E -VW 461 485E 5 -19,-2.1 -19,-2.7 -2,-0.3 2,-0.5 -0.952 28.1-138.7-143.1 160.6 58.6 30.3 67.1 481 188 C I E > S-VW 460 484E 0 3,-2.7 3,-2.1 -2,-0.3 -21,-0.2 -0.959 94.6 -28.3-122.0 106.5 59.8 32.5 64.2 482 189 C S T 3 S- 0 0 8 -23,-2.2 -1,-0.1 -2,-0.5 -22,-0.1 0.890 129.7 -45.7 50.9 42.9 59.3 36.1 65.2 483 190 C G T 3 S+ 0 0 1 1,-0.2 -1,-0.3 -24,-0.2 -321,-0.2 0.307 115.7 116.8 87.3 -9.9 56.3 35.0 67.3 484 191 C I E < S-W 481 0E 0 -3,-2.1 -3,-2.7 -307,-0.1 -1,-0.2 -0.792 75.6-101.7 -95.9 131.4 54.8 32.7 64.7 485 192 C P E > -W 480 0E 41 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.193 20.7-136.2 -51.4 134.5 54.6 28.9 65.4 486 193 C V G >> S+ 0 0 1 -7,-1.7 3,-2.3 -10,-0.4 4,-2.0 0.838 101.6 70.6 -60.9 -32.5 57.4 26.9 63.7 487 194 C S G 34 S+ 0 0 81 -8,-0.3 -1,-0.3 1,-0.3 8,-0.1 0.693 90.5 61.1 -58.7 -19.4 54.8 24.3 62.7 488 195 C E G <4 S+ 0 0 75 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.660 111.4 38.0 -81.7 -15.9 53.4 26.9 60.3 489 196 C F T <4 S+ 0 0 49 -3,-2.3 2,-0.5 -4,-0.3 -2,-0.2 0.757 113.3 53.5-102.1 -34.5 56.7 27.0 58.4 490 197 C I S < S- 0 0 7 -4,-2.0 -1,-0.2 2,-0.0 -37,-0.0 -0.919 79.4-124.4-114.5 128.7 57.8 23.3 58.4 491 198 C A > - 0 0 52 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.286 31.4-111.2 -62.8 148.7 55.8 20.3 57.3 492 199 C P H > S+ 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.880 115.8 48.4 -48.7 -49.4 55.4 17.5 60.0 493 200 C D H > S+ 0 0 103 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.907 114.8 45.4 -61.9 -41.9 57.7 15.0 58.2 494 201 C R H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.864 111.6 53.1 -69.0 -36.8 60.4 17.5 57.7 495 202 C L H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 105.7 53.2 -65.0 -42.4 60.1 18.8 61.2 496 203 C A H X S+ 0 0 61 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.871 108.2 51.9 -60.3 -36.4 60.5 15.2 62.6 497 204 C Q H X S+ 0 0 102 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.895 109.3 48.9 -66.2 -41.1 63.7 15.0 60.5 498 205 C I H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.875 109.3 52.3 -67.1 -37.4 65.0 18.2 62.0 499 206 C V H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.924 110.5 48.5 -64.0 -42.7 64.2 17.0 65.5 500 207 C E H X S+ 0 0 85 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.918 109.3 52.0 -63.5 -43.1 66.1 13.8 64.8 501 208 C R H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.4 52.8 -61.6 -34.6 69.1 15.7 63.4 502 209 C T H >< S+ 0 0 3 -4,-1.9 3,-1.3 2,-0.2 4,-0.3 0.925 106.4 52.2 -66.9 -43.8 69.1 17.8 66.6 503 210 C R H 3< S+ 0 0 45 -4,-2.1 -34,-0.4 1,-0.3 3,-0.3 0.886 118.6 36.7 -58.2 -40.4 69.2 14.6 68.8 504 211 C K T 3X S+ 0 0 134 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.239 85.9 114.3 -97.2 12.9 72.2 13.4 66.9 505 212 C G H <> S+ 0 0 1 -3,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.839 75.6 46.7 -52.1 -44.1 73.7 16.8 66.5 506 213 C G H > S+ 0 0 29 -4,-0.3 4,-1.9 -3,-0.3 3,-0.3 0.921 113.5 48.3 -67.4 -43.7 76.8 16.2 68.6 507 214 C G H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.828 102.3 63.6 -65.7 -32.7 77.5 12.9 67.0 508 215 C E H X S+ 0 0 61 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.896 107.5 43.0 -58.6 -40.3 77.1 14.4 63.5 509 216 C I H X S+ 0 0 52 -4,-1.1 4,-2.7 -3,-0.3 3,-0.4 0.907 110.8 54.6 -72.6 -42.9 80.1 16.6 64.2 510 217 C V H X S+ 0 0 60 -4,-1.9 4,-2.8 1,-0.2 6,-0.4 0.914 107.4 51.1 -57.0 -43.5 82.2 13.9 65.8 511 218 C N H < S+ 0 0 124 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.798 112.2 46.8 -65.7 -29.2 81.7 11.7 62.7 512 219 C L H < S+ 0 0 125 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.931 118.3 38.7 -77.7 -47.6 82.9 14.5 60.4 513 220 C L H < S- 0 0 83 -4,-2.7 2,-1.6 3,-0.2 -2,-0.2 0.851 85.2-168.0 -69.9 -35.5 86.0 15.5 62.5 514 221 C K S < S+ 0 0 178 -4,-2.8 -1,-0.2 -5,-0.3 -4,-0.1 -0.162 79.2 43.7 75.1 -42.4 86.7 11.8 63.3 515 222 C T S S+ 0 0 143 -2,-1.6 2,-0.3 -3,-0.1 -1,-0.2 0.132 117.6 30.7-119.2 19.9 89.3 12.7 65.9 516 223 C G - 0 0 30 -6,-0.4 2,-0.3 -7,-0.1 -2,-0.3 -0.901 66.6-122.2-157.7-174.9 87.5 15.5 67.8 517 224 C S - 0 0 71 -2,-0.3 -10,-0.1 -4,-0.1 -11,-0.0 -0.868 42.6 -73.2-135.5 168.9 84.2 17.0 68.9 518 225 C A + 0 0 22 -12,-0.3 -206,-0.1 -2,-0.3 -1,-0.1 -0.208 48.3 154.9 -62.1 151.5 82.3 20.2 68.5 519 226 C Y > + 0 0 56 -208,-0.1 4,-2.0 3,-0.1 5,-0.2 0.456 58.2 69.2-150.0 -23.8 83.4 23.3 70.4 520 227 C Y H > S+ 0 0 161 2,-0.2 4,-2.2 3,-0.2 5,-0.1 0.978 109.9 35.0 -67.1 -55.6 82.4 26.5 68.6 521 228 C A H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.917 118.7 52.5 -65.3 -43.4 78.6 26.1 69.2 522 229 C P H > S+ 0 0 12 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.914 112.0 46.5 -59.2 -40.4 79.2 24.6 72.7 523 230 C A H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.887 110.6 52.2 -68.7 -38.8 81.5 27.5 73.6 524 231 C A H X S+ 0 0 56 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.921 110.8 48.4 -62.5 -43.4 79.0 30.0 72.3 525 232 C A H X S+ 0 0 5 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.923 113.5 46.6 -62.1 -46.7 76.2 28.5 74.4 526 233 C T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.931 112.3 50.3 -62.1 -46.1 78.4 28.5 77.5 527 234 C A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.868 106.6 54.7 -61.8 -37.9 79.5 32.1 76.9 528 235 C Q H X S+ 0 0 51 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.883 108.9 48.8 -64.7 -36.6 75.9 33.2 76.5 529 236 C M H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.900 110.1 50.7 -69.1 -40.3 75.0 31.7 79.9 530 237 C V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.920 110.5 50.0 -62.1 -42.6 78.0 33.4 81.5 531 238 C E H X S+ 0 0 34 -4,-2.5 4,-2.7 1,-0.2 6,-0.3 0.894 104.5 58.7 -62.7 -40.3 76.9 36.7 80.0 532 239 C A H <>S+ 0 0 0 -4,-2.0 5,-1.6 1,-0.2 6,-0.6 0.886 112.7 39.8 -55.9 -41.3 73.4 36.2 81.3 533 240 C V H ><5S+ 0 0 10 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.961 116.6 46.6 -73.6 -55.4 74.8 36.0 84.9 534 241 C L H 3<5S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.854 122.7 35.5 -57.7 -39.4 77.4 38.7 84.7 535 242 C K T 3<5S- 0 0 128 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.354 102.1-130.8 -97.9 6.3 75.1 41.2 83.1 536 243 C D T < 5 + 0 0 66 -3,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.906 47.4 160.6 44.2 54.3 72.0 40.0 85.0 537 244 C K < - 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0 0 17 -3,-2.1 -4,-2.5 -4,-0.1 2,-0.4 -0.828 35.3-172.6-104.1 134.9 60.9 15.1 89.0 554 261 C N E + T 0 548D 91 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.964 59.9 3.0-129.0 143.4 62.6 15.2 92.4 555 262 C D E S+ 0 0 49 -8,-1.6 2,-0.3 -2,-0.4 -1,-0.2 0.971 100.3 102.6 49.5 69.6 66.3 15.3 93.5 556 263 C I E S- T 0 547D 1 -9,-0.6 -9,-2.8 -3,-0.2 2,-0.5 -0.944 70.2-119.9-172.0 149.1 67.8 15.4 90.0 557 264 C Y E + T 0 546D 2 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.880 43.4 163.1 -98.5 132.9 69.4 17.8 87.5 558 265 C F E - T 0 545D 0 -13,-2.1 -13,-2.2 -2,-0.5 2,-0.5 -0.992 45.7 -95.9-151.1 147.0 67.4 18.0 84.3 559 266 C G E +ST 466 544D 5 -93,-2.0 -93,-2.0 -2,-0.3 -15,-0.3 -0.523 58.2 156.6 -69.2 118.5 67.3 20.4 81.4 560 267 C V E - T 0 543D 0 -17,-2.5 -17,-2.2 -2,-0.5 2,-0.3 -0.958 48.5 -90.3-142.1 159.0 64.4 22.8 82.0 561 268 C P E + T 0 542D 0 0, 0.0 12,-2.5 0, 0.0 2,-0.3 -0.533 55.5 166.5 -70.5 132.0 63.3 26.4 81.0 562 269 C V E -UT 572 541D 0 -21,-2.3 -21,-2.1 -2,-0.3 2,-0.6 -0.915 43.3-119.2-141.2 166.8 64.6 29.0 83.5 563 270 C I E -UT 571 540D 15 8,-1.9 7,-2.7 -2,-0.3 8,-0.8 -0.964 38.6-158.4-104.7 119.2 65.1 32.7 83.9 564 271 C L E +UT 569 539D 0 -25,-3.0 -25,-1.8 -2,-0.6 -26,-0.7 -0.898 30.0 121.9-108.3 127.8 68.9 33.1 84.2 565 272 C G E > S-U 568 0D 0 3,-2.3 3,-2.2 -2,-0.5 -32,-0.1 -0.684 71.3 -36.3-152.8-153.6 70.5 36.1 85.9 566 273 C A T 3 S+ 0 0 57 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.796 131.0 47.4 -53.2 -35.5 72.7 37.4 88.6 567 274 C G T 3 S- 0 0 36 1,-0.4 2,-0.5 -160,-0.0 -1,-0.3 0.312 111.2-120.9 -92.6 13.5 71.6 34.9 91.2 568 275 C G E < S+U 565 0D 0 -3,-2.2 -3,-2.3 -136,-0.1 2,-0.6 -0.762 90.0 20.8 85.4-130.9 71.9 32.0 88.7 569 276 C V E +U 564 0D 12 -138,-2.7 -5,-0.2 -2,-0.5 3,-0.1 -0.613 65.8 173.4 -73.5 114.9 68.6 30.3 88.3 570 277 C E E + 0 0 79 -7,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.590 68.5 3.6 -97.8 -13.2 66.0 32.9 89.4 571 278 C K E -U 563 0D 121 -8,-0.8 -8,-1.9 -3,-0.1 2,-0.7 -0.885 58.1-141.9-171.4 137.2 63.0 30.8 88.4 572 279 C I E -U 562 0D 29 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.931 29.5-139.6-104.6 115.6 62.3 27.4 86.9 573 280 C L - 0 0 12 -12,-2.5 2,-0.7 -2,-0.7 -2,-0.0 -0.555 5.5-149.8 -78.3 138.3 59.4 27.6 84.5 574 281 C E - 0 0 137 -2,-0.2 -1,-0.0 -14,-0.1 -12,-0.0 -0.849 15.3-159.5-112.6 95.3 56.8 24.9 84.5 575 282 C L - 0 0 12 -2,-0.7 2,-1.4 1,-0.1 -24,-0.1 -0.435 24.6-115.5 -73.8 144.5 55.4 24.5 81.0 576 283 C P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.638 41.4-166.1 -82.3 90.5 52.0 22.8 80.5 577 284 C L - 0 0 18 -2,-1.4 2,-0.0 1,-0.1 -26,-0.0 -0.550 11.7-131.4 -81.6 142.5 53.1 19.8 78.5 578 285 C N > - 0 0 57 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.207 36.7 -89.0 -80.9 178.9 50.6 17.6 76.7 579 286 C E H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.879 125.3 48.9 -58.4 -42.8 50.4 13.8 76.9 580 287 C E H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 112.2 48.0 -65.7 -42.2 52.9 13.1 74.1 581 288 C E H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 110.1 52.9 -66.9 -36.3 55.4 15.6 75.4 582 289 C M H X S+ 0 0 97 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.884 105.1 55.0 -65.7 -38.0 55.1 14.1 78.9 583 290 C A H X S+ 0 0 60 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.922 110.2 46.5 -60.6 -42.8 55.8 10.6 77.5 584 291 C L H X S+ 0 0 72 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.929 113.4 48.8 -64.4 -45.2 59.0 12.0 76.0 585 292 C L H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.904 110.3 49.9 -62.7 -43.9 60.0 13.7 79.2 586 293 C N H X S+ 0 0 94 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.900 110.0 50.2 -64.6 -39.2 59.4 10.7 81.4 587 294 C A H X S+ 0 0 67 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.895 113.5 47.7 -64.3 -38.6 61.4 8.4 79.2 588 295 C S H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.923 108.0 52.8 -66.8 -47.2 64.2 11.0 79.3 589 296 C A H X S+ 0 0 9 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.828 105.3 57.5 -58.9 -31.8 64.1 11.4 83.1 590 297 C K H X S+ 0 0 167 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.900 108.5 45.3 -65.5 -41.0 64.4 7.6 83.3 591 298 C A H X S+ 0 0 37 -4,-1.3 4,-1.8 -3,-0.3 -2,-0.2 0.905 114.8 47.1 -69.0 -42.9 67.7 7.8 81.4 592 299 C V H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 110.8 52.8 -64.8 -42.4 69.0 10.7 83.4 593 300 C R H X S+ 0 0 69 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.908 106.3 53.7 -58.8 -43.9 68.0 9.0 86.7 594 301 C A H X S+ 0 0 53 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.916 109.7 46.7 -58.2 -45.6 69.9 5.9 85.6 595 302 C T H X S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.910 112.1 51.6 -63.2 -41.8 73.1 7.9 85.0 596 303 C L H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 109.0 50.4 -62.8 -39.9 72.6 9.6 88.4 597 304 C D H X S+ 0 0 78 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.873 108.5 51.4 -67.9 -36.8 72.2 6.3 90.2 598 305 C T H >< S+ 0 0 48 -4,-2.0 3,-0.5 2,-0.2 -2,-0.2 0.939 110.2 50.4 -63.5 -45.0 75.4 4.9 88.6 599 306 C L H 3< S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.914 109.3 50.1 -57.7 -46.3 77.2 8.1 89.8 600 307 C K H 3< 0 0 98 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.731 360.0 360.0 -66.1 -21.6 75.8 7.6 93.3 601 308 C S << 0 0 127 -4,-1.2 -3,-0.0 -3,-0.5 0, 0.0 -0.175 360.0 360.0 -75.6 360.0 77.0 4.0 93.2