==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-APR-05 1Z9A . COMPND 2 MOLECULE: NAD(P)H-DEPENDENT D-XYLOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA TENUIS; . AUTHOR R.KRATZER,S.LEITGEB,D.K.WILSON,B.NIDETZKY . 1276 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 889 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 2.5 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 . 4 0.3 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 . 1 0.1 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 . 88 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 181 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.7 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 9 3 4 1 3 6 10 0 0 11 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 8 4 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 . 8 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 4 A S 0 0 155 0, 0.0 284,-0.0 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 142.6 104.3 14.7 -11.1 2 5 A I - 0 0 27 37,-0.1 13,-0.1 14,-0.1 14,-0.1 -0.758 360.0-134.1 -86.8 103.8 106.1 16.5 -8.2 3 6 A P - 0 0 68 0, 0.0 12,-2.3 0, 0.0 2,-0.2 -0.211 18.0-127.4 -58.3 150.0 104.5 20.0 -8.2 4 7 A D E -A 14 0A 91 10,-0.2 2,-0.5 11,-0.1 8,-0.0 -0.664 7.1-139.8 -99.5 156.4 106.9 22.9 -7.9 5 8 A I E -A 13 0A 35 8,-2.9 8,-2.0 -2,-0.2 2,-0.8 -0.965 16.6-133.9-115.6 122.3 106.8 25.8 -5.5 6 9 A K E -A 12 0A 156 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.665 27.2-145.3 -77.5 111.2 107.7 29.3 -6.8 7 10 A L > - 0 0 3 4,-2.8 3,-2.0 -2,-0.8 202,-0.1 -0.285 23.1-110.7 -71.5 161.7 110.1 30.7 -4.2 8 11 A S T 3 S+ 0 0 70 200,-0.3 -1,-0.1 177,-0.3 175,-0.1 0.680 118.4 67.2 -66.3 -16.6 110.1 34.4 -3.3 9 12 A S T 3 S- 0 0 43 2,-0.2 -1,-0.3 154,-0.1 3,-0.1 0.586 118.9-112.9 -78.0 -9.9 113.5 34.5 -5.1 10 13 A G S < S+ 0 0 43 -3,-2.0 2,-0.2 1,-0.4 -2,-0.1 0.144 80.9 117.4 99.4 -19.2 111.6 33.8 -8.3 11 14 A H - 0 0 75 150,-0.1 -4,-2.8 -5,-0.1 -1,-0.4 -0.527 65.5-117.8 -84.0 149.4 113.1 30.3 -8.8 12 15 A L E -A 6 0A 102 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.609 25.6-161.8 -84.8 145.0 111.0 27.2 -8.8 13 16 A M E -A 5 0A 1 -8,-2.0 -8,-2.9 -2,-0.3 29,-0.0 -0.986 24.9-113.8-132.2 127.1 111.6 24.5 -6.1 14 17 A P E -A 4 0A 15 0, 0.0 -10,-0.2 0, 0.0 26,-0.0 -0.320 20.7-141.5 -54.9 131.0 110.5 20.8 -6.3 15 18 A S S S+ 0 0 12 -12,-2.3 253,-2.4 1,-0.1 2,-0.4 0.575 87.6 46.6 -73.7 -7.8 107.9 20.3 -3.6 16 19 A I B S+b 268 0B 1 251,-0.2 26,-0.5 -13,-0.2 25,-0.5 -0.996 73.5 171.3-136.8 129.7 109.4 16.9 -2.8 17 20 A G E -c 42 0B 0 251,-2.9 2,-0.7 -2,-0.4 26,-0.2 -0.744 35.8 -99.5-133.8-179.1 113.0 16.0 -2.4 18 21 A F E -c 43 0B 2 24,-2.6 26,-1.1 -2,-0.2 253,-0.2 -0.880 34.9-136.3-106.4 111.5 115.6 13.5 -1.5 19 22 A G E -c 44 0B 7 251,-2.4 253,-0.2 -2,-0.7 26,-0.1 -0.378 16.0-170.8 -64.8 139.1 117.0 13.8 2.0 20 23 A C > + 0 0 0 24,-1.8 3,-1.4 251,-0.1 2,-0.2 0.364 42.6 122.0-112.6 4.9 120.8 13.4 2.1 21 24 A W T 3 S+ 0 0 69 1,-0.3 3,-0.1 23,-0.2 28,-0.0 -0.469 86.0 3.2 -71.2 137.2 121.3 13.3 5.9 22 25 A K T 3 S+ 0 0 67 1,-0.3 2,-0.7 -2,-0.2 -1,-0.3 0.629 87.9 150.5 64.3 13.5 123.0 10.1 7.2 23 26 A L < - 0 0 4 -3,-1.4 -1,-0.3 1,-0.1 5,-0.1 -0.706 52.9-115.9 -77.2 113.9 123.3 9.0 3.6 24 27 A A >> - 0 0 54 -2,-0.7 4,-1.9 -3,-0.1 3,-0.7 -0.210 10.2-131.3 -57.1 138.9 126.5 6.8 3.8 25 28 A N H 3> S+ 0 0 78 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.831 103.0 59.1 -58.6 -38.1 129.6 8.0 1.9 26 29 A A H 34 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.841 123.6 20.1 -63.8 -33.6 130.3 4.6 0.3 27 30 A T H <> S+ 0 0 65 -3,-0.7 4,-2.6 2,-0.1 5,-0.2 0.418 92.7 101.7-116.5 -1.5 126.9 4.5 -1.4 28 31 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.897 83.1 52.8 -50.6 -46.4 125.8 8.1 -1.5 29 32 A G H X S+ 0 0 14 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.969 111.7 42.7 -54.2 -59.9 126.7 8.4 -5.1 30 33 A E H > S+ 0 0 91 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 112.9 53.7 -53.6 -49.1 124.7 5.4 -6.3 31 34 A Q H X S+ 0 0 48 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.885 111.4 44.4 -56.2 -43.2 121.7 6.3 -4.2 32 35 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.930 111.7 53.7 -68.0 -43.6 121.5 9.8 -5.6 33 36 A Y H X S+ 0 0 11 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.921 112.0 45.5 -55.2 -45.0 122.0 8.5 -9.1 34 37 A Q H X S+ 0 0 77 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.901 109.0 54.0 -66.6 -42.7 119.1 6.1 -8.6 35 38 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.3 0.899 109.0 50.8 -58.4 -39.9 116.8 8.8 -7.0 36 39 A I H ><5S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.954 109.1 50.1 -62.7 -47.5 117.5 10.9 -10.1 37 40 A K H 3<5S+ 0 0 118 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.890 108.8 53.3 -57.4 -38.5 116.5 7.9 -12.2 38 41 A A T 3<5S- 0 0 33 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.413 129.8 -93.1 -77.7 0.8 113.3 7.5 -10.2 39 42 A G T < 5S+ 0 0 20 -3,-1.9 -3,-0.2 1,-0.3 -37,-0.1 0.237 76.4 140.9 110.7 -16.6 112.4 11.1 -10.8 40 43 A Y < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -23,-0.1 -0.339 15.3 167.9 -62.7 142.5 113.8 13.1 -7.8 41 44 A R + 0 0 72 -25,-0.5 33,-2.7 1,-0.1 2,-0.4 0.613 53.9 71.0-127.0 -26.9 115.2 16.4 -8.6 42 45 A L E -cd 17 74B 5 -26,-0.5 -24,-2.6 31,-0.2 2,-0.5 -0.809 58.5-168.5 -96.4 135.2 115.8 18.3 -5.3 43 46 A F E -cd 18 75B 2 31,-2.4 33,-1.9 -2,-0.4 2,-1.0 -0.906 10.6-152.1-128.4 105.0 118.6 17.0 -3.1 44 47 A D E +cd 19 76B 5 -26,-1.1 -24,-1.8 -2,-0.5 -23,-0.2 -0.639 33.8 157.8 -79.1 103.4 118.7 18.4 0.4 45 48 A G - 0 0 5 31,-2.3 2,-0.3 -2,-1.0 -24,-0.1 -0.419 22.9-159.9-113.6-170.8 122.4 18.2 1.5 46 49 A A > - 0 0 0 31,-0.2 3,-2.5 -2,-0.1 5,-0.5 -0.855 32.1-124.9-173.9 137.7 124.6 19.9 4.0 47 50 A E G > S+ 0 0 2 31,-1.2 3,-1.7 1,-0.3 5,-0.2 0.899 115.7 58.6 -52.2 -39.7 128.3 20.5 4.6 48 51 A D G 3 S+ 0 0 39 30,-0.3 -1,-0.3 1,-0.3 31,-0.0 0.660 89.9 70.6 -65.8 -15.8 127.7 18.9 8.0 49 52 A Y G < S- 0 0 35 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.646 92.4-145.3 -76.2 -12.4 126.5 15.7 6.3 50 53 A G S < S+ 0 0 27 -3,-1.7 -3,-0.1 -4,-0.5 -2,-0.1 0.614 76.6 88.0 60.0 17.1 130.0 15.1 5.2 51 54 A N > + 0 0 1 -5,-0.5 4,-2.4 2,-0.1 5,-0.2 0.104 40.6 113.6-132.4 24.2 128.9 13.5 2.0 52 55 A E H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.822 77.0 58.4 -66.6 -29.7 128.6 16.4 -0.5 53 56 A K H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.953 111.3 42.4 -64.8 -44.3 131.5 15.1 -2.5 54 57 A E H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.889 108.4 57.1 -68.9 -40.1 129.6 11.8 -3.0 55 58 A V H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.892 108.3 51.0 -57.8 -35.3 126.3 13.5 -3.7 56 59 A G H X S+ 0 0 2 -4,-1.8 4,-3.4 43,-0.2 5,-0.3 0.933 102.9 56.6 -66.7 -46.3 128.1 15.3 -6.5 57 60 A D H X S+ 0 0 68 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.909 107.4 51.4 -52.1 -42.5 129.4 12.1 -7.9 58 61 A G H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.925 114.0 40.7 -61.0 -47.4 125.8 10.9 -8.2 59 62 A V H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.911 112.8 54.2 -69.2 -43.2 124.6 14.0 -10.0 60 63 A K H X S+ 0 0 103 -4,-3.4 4,-3.3 1,-0.2 5,-0.2 0.935 109.6 48.7 -56.2 -46.9 127.7 14.3 -12.2 61 64 A R H X S+ 0 0 96 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.882 109.8 51.8 -61.2 -38.4 127.1 10.7 -13.4 62 65 A A H <>S+ 0 0 0 -4,-1.6 5,-2.6 -5,-0.2 6,-0.8 0.904 113.5 44.4 -65.5 -38.8 123.5 11.4 -14.0 63 66 A I H ><5S+ 0 0 55 -4,-2.6 3,-1.8 3,-0.2 -2,-0.2 0.923 110.4 53.9 -70.6 -44.4 124.5 14.4 -16.2 64 67 A D H 3<5S+ 0 0 107 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.9 50.1 -60.7 -32.6 127.2 12.5 -18.0 65 68 A E T 3<5S- 0 0 93 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.434 117.4-117.3 -84.7 2.2 124.8 9.8 -19.0 66 69 A G T < 5S+ 0 0 60 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.726 76.1 131.6 70.9 22.5 122.5 12.5 -20.2 67 70 A L S > - 0 0 135 -2,-0.3 3,-1.1 -3,-0.1 4,-0.6 -0.719 36.2-105.3-111.1 165.0 121.1 18.7 -17.2 70 73 A R G >4 S+ 0 0 31 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.901 119.5 62.7 -55.6 -40.9 122.5 20.9 -14.4 71 74 A E G 34 S+ 0 0 135 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.806 100.5 53.3 -53.4 -34.1 119.5 23.2 -14.9 72 75 A E G <4 S+ 0 0 96 -3,-1.1 2,-0.4 2,-0.0 -1,-0.3 0.614 93.3 82.6 -82.1 -13.5 117.1 20.4 -14.0 73 76 A I << - 0 0 2 -3,-1.5 2,-0.7 -4,-0.6 -31,-0.2 -0.776 63.5-153.6 -97.1 134.7 118.7 19.6 -10.6 74 77 A F E -d 42 0B 9 -33,-2.7 -31,-2.4 -2,-0.4 2,-0.6 -0.911 14.6-168.6-107.1 109.8 117.9 21.6 -7.5 75 78 A L E -d 43 0B 3 -2,-0.7 32,-1.8 -33,-0.2 31,-1.3 -0.884 2.2-168.7-105.6 120.7 120.8 21.4 -5.0 76 79 A T E +de 44 107B 4 -33,-1.9 -31,-2.3 -2,-0.6 2,-0.3 -0.869 10.1 173.2-105.0 135.9 120.3 22.6 -1.5 77 80 A S E - e 0 108B 0 30,-3.3 32,-2.0 -2,-0.4 2,-0.4 -0.855 19.0-138.5-133.1 172.1 123.2 23.1 0.9 78 81 A K E - e 0 109B 0 -2,-0.3 -31,-1.2 30,-0.2 2,-0.6 -0.997 15.6-125.9-139.8 133.7 123.6 24.5 4.4 79 82 A L E - e 0 110B 0 30,-2.9 32,-2.0 -2,-0.4 33,-0.5 -0.644 36.4-131.0 -76.4 115.6 126.2 26.7 6.0 80 83 A W > - 0 0 6 -2,-0.6 3,-2.3 31,-0.1 -1,-0.1 -0.274 21.5-102.5 -70.8 156.7 127.5 25.0 9.1 81 84 A N G > S+ 0 0 0 1,-0.3 35,-2.2 2,-0.1 3,-0.7 0.654 115.9 59.9 -50.2 -26.9 127.8 26.7 12.6 82 85 A N G 3 S+ 0 0 0 1,-0.2 -1,-0.3 33,-0.2 3,-0.2 0.603 100.6 59.5 -80.3 -9.8 131.6 27.2 12.5 83 86 A Y G < + 0 0 2 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.1 -0.111 67.8 105.3-110.8 35.6 131.3 29.3 9.3 84 87 A H < + 0 0 0 -3,-0.7 5,-0.2 32,-0.4 -1,-0.1 0.912 49.4 97.9 -80.2 -43.4 129.1 32.2 10.4 85 88 A D S >> S- 0 0 46 -3,-0.2 3,-2.8 1,-0.1 4,-0.6 -0.237 86.4-120.3 -47.3 120.7 131.8 34.9 10.6 86 89 A P H >> S+ 0 0 45 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.734 107.9 56.5 -33.8 -47.9 131.4 36.7 7.2 87 90 A K H 34 S+ 0 0 160 1,-0.3 4,-0.4 2,-0.2 -2,-0.1 0.686 107.5 50.1 -67.1 -17.9 135.0 36.1 6.0 88 91 A N H <> S+ 0 0 15 -3,-2.8 4,-2.0 2,-0.1 -1,-0.3 0.528 92.1 79.5 -96.0 -6.9 134.5 32.3 6.4 89 92 A V H S+ 0 0 67 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.927 112.3 45.9 -70.6 -41.7 135.3 29.8 1.8 92 95 A A H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.929 111.7 50.6 -65.2 -46.5 132.8 27.4 3.1 93 96 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.895 110.3 51.6 -59.0 -39.2 130.4 27.9 0.2 94 97 A N H X S+ 0 0 59 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.909 105.6 52.7 -65.4 -42.8 133.3 27.2 -2.1 95 98 A K H X S+ 0 0 64 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.866 110.7 50.3 -60.0 -33.1 134.3 24.0 -0.4 96 99 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.909 111.6 47.8 -70.3 -40.9 130.6 23.0 -0.9 97 100 A L H X>S+ 0 0 10 -4,-2.2 5,-1.8 2,-0.2 4,-1.2 0.941 113.2 45.3 -66.1 -48.6 130.8 23.9 -4.6 98 101 A A H <5S+ 0 0 72 -4,-3.3 -1,-0.2 3,-0.2 -2,-0.2 0.930 115.2 50.5 -60.4 -43.1 134.0 22.1 -5.3 99 102 A D H <5S+ 0 0 17 -4,-2.1 -43,-0.2 -5,-0.3 -2,-0.2 0.947 115.7 39.4 -59.0 -52.2 132.6 19.1 -3.3 100 103 A L H <5S- 0 0 9 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.603 107.5-131.6 -73.6 -11.0 129.3 19.0 -5.3 101 104 A K T <5 + 0 0 77 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.910 65.0 118.2 59.8 43.9 131.3 19.8 -8.4 102 105 A V < - 0 0 22 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.887 69.4-126.6-133.7 167.1 129.0 22.6 -9.4 103 106 A D S S+ 0 0 139 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.756 89.8 2.7 -85.7 -26.5 129.2 26.4 -10.0 104 107 A Y - 0 0 35 -7,-0.1 2,-0.4 56,-0.0 56,-0.2 -0.972 66.7-124.0-154.2 160.6 126.3 27.4 -7.7 105 108 A V E - f 0 160B 0 54,-1.6 56,-2.0 -2,-0.3 57,-0.3 -0.885 16.8-137.7-110.4 144.8 123.8 25.9 -5.3 106 109 A D E S+ 0 0 18 -31,-1.3 56,-1.0 -2,-0.4 2,-0.3 0.816 90.5 17.5 -69.7 -30.9 120.1 26.4 -5.9 107 110 A L E -ef 76 162B 1 -32,-1.8 -30,-3.3 54,-0.2 2,-0.5 -0.976 62.3-173.7-147.1 129.1 119.5 27.0 -2.2 108 111 A F E -ef 77 163B 0 54,-1.8 56,-1.8 -2,-0.3 2,-0.4 -0.990 14.3-168.3-123.8 124.3 121.9 27.8 0.7 109 112 A L E -ef 78 164B 0 -32,-2.0 -30,-2.9 -2,-0.5 2,-0.7 -0.879 32.0-118.9-117.3 144.2 120.6 27.9 4.3 110 113 A I E -ef 79 165B 0 54,-2.1 56,-1.6 -2,-0.4 -30,-0.1 -0.708 34.6-150.3 -72.9 118.1 122.1 29.1 7.5 111 114 A H - 0 0 13 -32,-2.0 -1,-0.2 -2,-0.7 -31,-0.1 0.928 68.2 -1.3 -62.0 -46.5 122.0 25.6 9.1 112 115 A F - 0 0 4 -33,-0.5 2,-2.3 2,-0.2 -1,-0.2 -0.992 67.2-117.1-144.9 148.3 121.5 26.9 12.7 113 116 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 31,-0.1 -0.301 87.4 105.2 -81.3 56.2 121.2 30.3 14.4 114 117 A I - 0 0 1 -2,-2.3 2,-0.8 30,-0.0 -2,-0.2 -0.994 60.1-153.0-139.2 127.5 124.4 29.2 16.2 115 118 A A - 0 0 2 -2,-0.4 25,-2.7 25,-0.2 -33,-0.2 -0.827 13.9-167.4-108.9 97.2 127.9 30.5 15.5 116 119 A F B -J 139 0C 0 -35,-2.2 -32,-0.4 -2,-0.8 23,-0.3 -0.452 39.1 -88.6 -76.4 152.4 130.6 28.0 16.5 117 120 A K - 0 0 100 21,-2.5 -1,-0.1 -2,-0.1 21,-0.1 -0.410 57.2 -96.8 -60.6 132.5 134.3 29.2 16.6 118 121 A F - 0 0 59 -2,-0.1 -1,-0.1 -3,-0.1 -35,-0.1 -0.214 39.4-167.8 -55.2 137.8 135.8 28.7 13.2 119 122 A V - 0 0 0 -37,-0.1 5,-0.1 -3,-0.1 -37,-0.1 -0.994 28.7-111.8-129.3 120.7 137.8 25.5 12.7 120 123 A P >> - 0 0 57 0, 0.0 3,-1.6 0, 0.0 4,-1.4 -0.193 21.0-124.8 -54.0 141.1 140.0 25.3 9.5 121 124 A I G >4 S+ 0 0 60 1,-0.3 3,-0.7 2,-0.2 -29,-0.0 0.932 111.2 54.8 -51.0 -51.5 138.8 22.8 6.9 122 125 A E G 34 S+ 0 0 181 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.621 103.4 56.1 -61.7 -14.1 142.2 21.0 7.0 123 126 A E G <4 S- 0 0 100 -3,-1.6 -1,-0.2 1,-0.3 2,-0.2 0.840 132.6 -22.0 -86.3 -33.3 142.0 20.6 10.8 124 127 A K << - 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0 0 10 -4,-1.1 3,-0.2 -5,-0.2 -31,-0.0 -0.572 39.1-176.6 -84.2 135.4 126.1 44.0 22.3 501 184 B T S S+ 0 0 124 1,-0.3 2,-0.6 -2,-0.3 -1,-0.2 0.886 90.4 40.1 -89.0 -50.0 128.9 46.1 23.8 502 185 B I S S- 0 0 55 -20,-0.0 -1,-0.3 -33,-0.0 3,-0.1 -0.882 99.0-129.9 -95.0 120.0 126.9 46.7 27.0 503 186 B K - 0 0 86 -2,-0.6 -20,-0.2 -3,-0.2 2,-0.1 -0.485 31.9 -94.5 -71.8 136.8 125.2 43.4 27.8 504 187 B P - 0 0 0 0, 0.0 -20,-0.3 0, 0.0 -1,-0.1 -0.344 36.4-158.1 -52.7 118.0 121.5 43.7 28.5 505 188 B A + 0 0 1 -22,-2.7 25,-2.2 24,-0.1 -177,-0.4 0.743 69.9 32.2 -71.2 -25.2 121.5 43.9 32.2 506 189 B V E - s 0 530F 0 -23,-0.4 -21,-2.9 23,-0.2 2,-0.5 -0.984 53.8-163.1-140.6 146.7 117.9 42.8 32.5 507 190 B L E -rs 485 531F 0 23,-2.9 25,-2.2 -2,-0.3 2,-0.7 -0.991 17.0-165.2-124.8 114.4 115.4 40.5 30.8 508 191 B Q E +rs 486 532F 3 -23,-2.4 -21,-2.1 -2,-0.5 2,-0.3 -0.913 22.1 156.7-107.3 111.6 111.8 41.2 31.9 509 192 B V E - s 0 533F 5 23,-1.5 25,-1.9 -2,-0.7 2,-0.3 -0.900 51.4 -87.3-133.0 162.1 109.3 38.5 31.0 510 193 B E E + s 0 534F 1 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.504 53.9 176.4 -64.3 124.0 106.0 37.1 32.0 511 194 B H + 0 0 1 23,-1.9 27,-0.2 -2,-0.3 5,-0.2 -0.942 15.4 123.4-142.8 119.1 106.7 34.6 34.7 512 195 B H B > S-V 515 0H 0 3,-1.1 3,-3.2 -2,-0.4 25,-0.1 -0.958 72.6 -82.1-164.2 158.2 104.3 32.6 36.8 513 196 B P T 3 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 110,-0.1 0.660 127.6 52.1 -40.0 -26.9 103.5 29.0 37.7 514 197 B Y T 3 S+ 0 0 13 1,-0.3 110,-2.1 107,-0.2 108,-1.7 0.687 120.0 33.0 -86.9 -18.3 101.6 28.6 34.4 515 198 B L B < +V 512 0H 3 -3,-3.2 -3,-1.1 108,-0.3 -1,-0.3 -0.698 69.4 151.5-137.6 80.1 104.4 29.9 32.3 516 199 B Q - 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0 0 4 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.3 -0.776 51.3-127.4 -90.7 126.1 121.4 38.7 32.9 530 213 B T E -s 506 0F 16 -25,-2.2 -23,-2.9 -2,-0.5 2,-0.4 -0.541 18.0-140.0 -78.0 136.7 119.0 39.6 35.7 531 214 B I E -s 507 0F 1 54,-0.4 56,-2.6 -2,-0.3 2,-0.5 -0.793 14.7-171.1 -95.8 134.5 115.4 38.3 35.4 532 215 B T E -st 508 587F 4 -25,-2.2 -23,-1.5 -2,-0.4 2,-0.3 -0.998 17.7-143.7-123.2 123.3 112.5 40.5 36.4 533 216 B A E -st 509 588F 0 54,-3.0 56,-0.6 -2,-0.5 2,-0.3 -0.685 12.7-163.5 -89.3 140.8 109.1 38.7 36.4 534 217 B Y E S+s 510 0F 20 -25,-1.9 -23,-1.9 -2,-0.3 4,-0.1 -0.933 70.4 19.6-121.8 149.9 105.9 40.5 35.3 535 218 B S > + 0 0 23 -2,-0.3 3,-1.8 54,-0.2 -1,-0.2 0.956 68.7 173.9 58.8 51.9 102.4 39.3 36.0 536 219 B S T 3 S+ 0 0 8 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.678 73.9 58.5 -63.0 -19.2 103.6 37.1 38.9 537 220 B F T > S- 0 0 29 1,-0.3 3,-1.5 -25,-0.1 19,-0.4 0.107 98.9-147.2 -98.4 21.0 99.9 36.4 39.7 538 221 B G T X S+ 0 0 0 -3,-1.8 3,-0.8 1,-0.2 4,-0.4 -0.239 70.3 10.1 58.0-129.3 99.3 35.0 36.3 539 222 B P T >> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.703 107.6 86.7 -56.2 -26.1 95.8 35.5 34.8 540 223 B Q H X> S+ 0 0 55 -3,-1.5 4,-1.8 1,-0.2 3,-0.7 0.884 86.7 49.5 -43.5 -56.5 94.7 37.9 37.5 541 224 B S H <4 S+ 0 0 21 -3,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.851 115.5 43.1 -55.5 -38.8 96.0 41.0 35.8 542 225 B F H X4>S+ 0 0 4 -3,-0.7 5,-2.7 -4,-0.4 3,-0.6 0.656 104.6 63.7 -83.8 -16.0 94.4 40.1 32.5 543 226 B V H X<5S+ 0 0 44 -4,-1.9 3,-2.2 -3,-0.7 -2,-0.2 0.897 98.8 56.8 -69.1 -38.8 91.1 39.1 34.2 544 227 B E T 3<5S+ 0 0 102 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.586 105.9 50.3 -67.9 -9.6 91.0 42.7 35.3 545 228 B M T < 5S- 0 0 84 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.222 118.3-114.3-108.6 6.4 91.2 43.6 31.6 546 229 B N T < 5 + 0 0 131 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.839 52.8 171.3 64.2 35.2 88.3 41.2 30.8 547 230 B Q >< - 0 0 37 -5,-2.7 4,-2.5 -8,-0.2 -1,-0.2 -0.661 30.8-143.9 -80.0 126.6 90.6 38.9 28.8 548 231 B G H > S+ 0 0 39 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.926 96.3 52.9 -54.0 -51.4 88.8 35.7 27.8 549 232 B R H 4 S+ 0 0 77 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.934 112.8 43.9 -53.1 -51.2 91.8 33.4 28.1 550 233 B A H >4 S+ 0 0 0 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.926 110.2 56.1 -61.3 -44.3 92.6 34.6 31.6 551 234 B L H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.3 52.1 -56.1 -37.8 88.9 34.4 32.7 552 235 B N T 3< S+ 0 0 138 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.443 95.3 94.1 -78.7 1.1 88.8 30.8 31.7 553 236 B T S < S- 0 0 18 -3,-2.1 2,-0.2 -4,-0.2 3,-0.1 -0.834 82.4-117.3-103.3 127.8 91.9 30.0 33.8 554 237 B P - 0 0 94 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.388 42.7-110.4 -59.3 123.5 91.7 28.8 37.4 555 238 B T - 0 0 55 -2,-0.2 3,-0.2 1,-0.1 -17,-0.1 -0.091 10.0-133.3 -54.2 151.7 93.3 31.5 39.6 556 239 B L S > S+ 0 0 0 -19,-0.4 3,-0.7 1,-0.2 6,-0.1 0.732 104.7 65.8 -78.7 -22.1 96.7 30.7 41.2 557 240 B F T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -20,-0.2 17,-0.1 0.815 109.9 35.4 -68.7 -30.0 95.3 32.1 44.5 558 241 B A T 3 S+ 0 0 59 -3,-0.2 2,-0.2 15,-0.1 -1,-0.2 0.245 87.3 126.3-108.1 13.4 92.8 29.3 44.7 559 242 B H <> - 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0 0 42 -5,-2.3 4,-2.6 1,-0.1 -1,-0.2 -0.501 32.9-142.8 -68.2 125.8 78.8 92.5 42.6 1188 231 D G H > S+ 0 0 40 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.886 97.2 54.1 -55.4 -45.4 77.6 95.8 41.0 1189 232 D R H 4 S+ 0 0 79 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.958 113.0 42.6 -56.2 -52.1 78.4 98.0 43.9 1190 233 D A H >4 S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.924 110.9 54.9 -61.2 -46.9 82.1 96.8 44.1 1191 234 D L H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 107.5 51.9 -54.9 -37.8 82.5 96.9 40.3 1192 235 D N T 3< S+ 0 0 140 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.521 94.6 90.6 -77.1 -5.1 81.4 100.5 40.3 1193 236 D T S < S- 0 0 18 -3,-1.9 3,-0.1 -4,-0.4 -10,-0.0 -0.808 84.0-116.1-100.5 126.1 84.0 101.4 43.0 1194 237 D P - 0 0 93 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.277 42.7-106.2 -53.8 138.3 87.5 102.6 42.1 1195 238 D T - 0 0 54 1,-0.1 3,-0.4 -4,-0.1 -17,-0.1 -0.296 10.0-137.1 -68.5 151.5 90.0 100.0 43.4 1196 239 D L S > S+ 0 0 1 -19,-0.4 3,-0.7 1,-0.2 6,-0.1 0.750 102.0 67.7 -77.8 -22.2 92.2 100.8 46.5 1197 240 D F T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -20,-0.2 17,-0.1 0.755 109.6 32.8 -67.5 -27.8 95.1 99.3 44.6 1198 241 D A T 3 S+ 0 0 57 -3,-0.4 2,-0.3 15,-0.1 -1,-0.2 0.223 87.6 128.8-114.9 14.8 95.1 102.1 42.1 1199 242 D H <> - 0 0 45 -3,-0.7 4,-3.0 1,-0.1 5,-0.2 -0.554 60.4-134.1 -73.9 128.3 94.0 104.9 44.4 1200 243 D D H > S+ 0 0 124 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.860 104.1 50.7 -49.0 -45.2 96.3 107.9 44.3 1201 244 D T H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.946 114.1 43.5 -61.1 -48.5 96.4 108.3 48.1 1202 245 D I H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.888 116.3 48.6 -65.2 -39.1 97.3 104.6 48.6 1203 246 D K H X S+ 0 0 96 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.908 106.7 53.1 -69.0 -43.9 99.9 104.7 45.7 1204 247 D A H X S+ 0 0 66 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.921 113.5 45.0 -58.5 -42.8 101.7 107.9 46.8 1205 248 D I H X S+ 0 0 8 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.948 113.1 50.9 -66.2 -45.7 102.2 106.3 50.2 1206 249 D A H ><>S+ 0 0 2 -4,-2.3 5,-3.1 1,-0.2 3,-0.6 0.899 111.5 47.1 -58.5 -42.8 103.3 103.0 48.7 1207 250 D A H ><5S+ 0 0 75 -4,-3.2 3,-0.7 1,-0.2 -1,-0.2 0.855 102.9 63.6 -68.3 -34.9 105.8 104.6 46.4 1208 251 D K H 3<5S+ 0 0 116 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.758 115.2 31.4 -60.3 -26.9 107.2 106.7 49.2 1209 252 D Y T <<5S- 0 0 57 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.340 110.4-116.7-111.7 2.7 108.4 103.5 51.0 1210 253 D N T < 5S+ 0 0 148 -3,-0.7 -3,-0.2 -4,-0.5 2,-0.2 0.889 76.5 125.8 61.2 38.5 109.0 101.5 47.8 1211 254 D K < - 0 0 58 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.639 64.5 -99.5-115.1 176.6 106.2 99.1 49.0 1212 255 D T >> - 0 0 47 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.744 27.0-116.5-100.3 151.0 103.1 98.0 47.1 1213 256 D P H 3> S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.905 116.8 58.8 -47.2 -46.1 99.6 99.5 47.6 1214 257 D A H 3> S+ 0 0 14 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.870 105.3 48.4 -52.5 -42.4 98.5 96.0 48.9 1215 258 D E H <> S+ 0 0 28 -3,-0.9 4,-3.3 2,-0.2 5,-0.3 0.882 109.1 52.3 -68.1 -38.2 101.2 96.2 51.6 1216 259 D V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 109.3 51.9 -63.5 -37.8 100.1 99.7 52.6 1217 260 D L H X S+ 0 0 2 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.864 115.1 39.6 -68.2 -37.0 96.5 98.4 52.8 1218 261 D L H >X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 3,-1.2 0.939 116.4 50.1 -77.1 -46.8 97.5 95.4 55.1 1219 262 D R H 3X S+ 0 0 35 -4,-3.3 4,-2.8 1,-0.3 5,-0.3 0.864 99.3 67.4 -58.2 -36.7 100.0 97.5 57.1 1220 263 D W H 3< S+ 0 0 7 -4,-2.3 -1,-0.3 -5,-0.3 4,-0.2 0.843 111.6 33.6 -53.5 -34.9 97.3 100.2 57.6 1221 264 D A H X<>S+ 0 0 1 -3,-1.2 5,-2.1 -4,-0.6 3,-0.8 0.866 116.4 54.6 -88.7 -40.7 95.4 97.8 59.8 1222 265 D A H ><5S+ 0 0 21 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.932 101.4 57.7 -59.2 -48.7 98.3 95.9 61.3 1223 266 D Q T 3<5S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.737 105.2 53.4 -55.2 -25.1 100.0 99.0 62.7 1224 267 D R T < 5S- 0 0 68 -3,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.173 125.6 -97.8 -98.1 17.1 96.8 99.8 64.6 1225 268 D G T < 5S+ 0 0 42 -3,-2.5 2,-0.5 1,-0.2 -54,-0.4 0.718 77.6 141.1 78.2 21.3 96.6 96.4 66.3 1226 269 D I < - 0 0 3 -5,-2.1 -1,-0.2 -56,-0.1 -54,-0.2 -0.845 48.4-129.4-102.9 128.0 94.1 94.9 63.9 1227 270 D A E - p 01172N 2 -56,-2.9 -54,-2.8 -2,-0.5 2,-0.3 -0.381 22.3-154.8 -71.1 150.0 94.3 91.3 62.8 1228 271 D V E -ip 9761173N 1 -253,-2.9 -251,-2.5 -56,-0.2 -54,-0.1 -0.942 20.6-178.5-127.4 150.1 94.2 90.6 59.0 1229 272 D I - 0 0 17 -56,-0.5 -54,-0.2 -2,-0.3 -251,-0.1 -0.423 22.3-174.3-143.3 58.5 93.2 87.4 57.2 1230 273 D P - 0 0 7 0, 0.0 -251,-1.7 0, 0.0 2,-0.9 -0.188 31.3-113.6 -60.9 148.7 93.8 88.3 53.5 1231 274 D K - 0 0 58 -253,-0.2 2,-0.9 2,-0.0 -251,-0.1 -0.763 31.9-166.6 -83.2 105.9 92.8 85.9 50.7 1232 275 D S + 0 0 3 -2,-0.9 6,-0.1 -253,-0.2 -237,-0.0 -0.811 17.6 165.3 -99.7 97.7 96.1 84.8 49.2 1233 276 D N + 0 0 51 -2,-0.9 -1,-0.1 4,-0.0 3,-0.1 -0.051 57.2 50.7-103.9 31.4 95.2 83.2 45.9 1234 277 D L S >> S- 0 0 85 1,-0.1 4,-2.3 0, 0.0 3,-0.5 -0.936 84.4-115.2-163.0 141.1 98.6 83.1 44.2 1235 278 D P H 3> S+ 0 0 108 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.856 119.5 51.5 -46.8 -39.5 102.1 81.8 45.3 1236 279 D E H 3> S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 107.5 50.4 -68.2 -40.1 103.2 85.4 45.1 1237 280 D R H <> S+ 0 0 100 -3,-0.5 4,-3.3 1,-0.2 -1,-0.2 0.883 100.7 64.1 -67.5 -35.3 100.4 86.8 47.2 1238 281 D L H < S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.923 112.3 36.3 -50.4 -47.7 101.0 84.2 49.9 1239 282 D V H >< S+ 0 0 85 -4,-1.2 3,-1.3 -5,-0.2 4,-0.4 0.917 117.7 48.7 -75.0 -45.3 104.4 85.8 50.5 1240 283 D Q H >< S+ 0 0 60 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.896 108.2 57.2 -60.6 -41.9 103.5 89.5 49.9 1241 284 D N T 3< S+ 0 0 6 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.325 112.7 37.4 -75.5 6.9 100.5 89.2 52.2 1242 285 D R T < S+ 0 0 59 -3,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.259 111.9 56.1-137.5 9.2 102.5 88.0 55.3 1243 286 D S < + 0 0 54 -3,-1.0 -2,-0.1 -4,-0.4 -3,-0.1 0.030 68.9 107.0-130.2 26.1 105.7 90.1 54.9 1244 287 D F + 0 0 0 1,-0.2 2,-2.4 -4,-0.1 3,-0.4 0.600 49.1 96.0 -83.3 -11.5 104.2 93.7 54.8 1245 288 D N + 0 0 55 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.352 52.6 104.7 -78.0 63.7 105.4 94.7 58.3 1246 289 D T S S+ 0 0 80 -2,-2.4 2,-0.3 1,-0.1 -1,-0.2 0.294 75.7 32.4-125.9 8.8 108.5 96.4 57.0 1247 290 D F S S- 0 0 18 -3,-0.4 2,-0.4 -31,-0.0 -1,-0.1 -0.971 72.7-119.7-157.9 161.1 107.7 100.1 57.3 1248 291 D D - 0 0 108 -2,-0.3 2,-0.4 -3,-0.1 -28,-0.1 -0.922 18.3-132.2-114.9 133.8 105.7 102.4 59.5 1249 292 D L - 0 0 5 -2,-0.4 2,-0.0 -30,-0.1 -44,-0.0 -0.684 30.3-134.9 -79.6 128.7 102.9 104.6 58.4 1250 293 D T > - 0 0 54 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.205 24.8-101.3 -77.2 172.4 103.3 108.2 59.8 1251 294 D K H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.918 126.8 51.8 -58.0 -43.8 100.7 110.4 61.5 1252 295 D E H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 105.9 53.3 -58.2 -49.9 100.5 112.2 58.1 1253 296 D D H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 109.0 49.5 -54.1 -44.0 100.0 108.9 56.2 1254 297 D F H X S+ 0 0 52 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.908 108.4 53.4 -63.9 -40.0 97.1 108.0 58.5 1255 298 D E H X S+ 0 0 96 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.900 110.5 47.2 -60.9 -41.4 95.5 111.4 58.0 1256 299 D E H >< S+ 0 0 77 -4,-2.3 3,-1.0 1,-0.2 4,-0.2 0.942 115.3 43.9 -66.4 -46.6 95.6 111.0 54.3 1257 300 D I H >< S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.2 4,-0.3 0.851 104.2 65.3 -67.0 -33.4 94.2 107.5 54.3 1258 301 D A H >< S+ 0 0 50 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.731 90.9 68.2 -61.6 -20.3 91.5 108.6 56.9 1259 302 D K T << S+ 0 0 143 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.637 85.9 66.4 -75.6 -14.6 90.1 110.8 54.2 1260 303 D L T < S+ 0 0 18 -3,-2.0 2,-0.2 -4,-0.2 -1,-0.2 0.597 70.7 119.1 -84.2 -7.5 88.9 108.0 52.0 1261 304 D D < + 0 0 58 -3,-0.9 -107,-0.2 -4,-0.3 -106,-0.2 -0.377 20.8 149.8 -63.1 120.5 86.3 106.9 54.6 1262 305 D I - 0 0 115 -108,-1.6 -107,-0.2 -2,-0.2 -1,-0.2 0.370 63.0-111.1-130.4 -0.2 82.9 107.1 53.0 1263 306 D G + 0 0 46 -109,-1.2 2,-0.7 1,-0.2 -108,-0.2 0.834 56.5 165.1 72.1 30.7 81.0 104.4 54.8 1264 307 D L - 0 0 40 -110,-2.3 2,-0.5 2,-0.0 -1,-0.2 -0.748 16.8-166.5 -85.3 115.1 80.8 102.3 51.7 1265 308 D R + 0 0 35 -2,-0.7 3,-0.1 1,-0.1 -76,-0.0 -0.899 19.8 179.7-110.4 128.6 79.9 98.8 52.8 1266 309 D F S S+ 0 0 1 -2,-0.5 2,-1.0 1,-0.2 -1,-0.1 0.828 75.8 55.6 -94.2 -36.8 80.1 95.8 50.5 1267 310 D D S S+ 0 0 27 -92,-0.0 -1,-0.2 3,-0.0 -117,-0.2 -0.814 73.4 153.4-100.4 96.3 78.9 93.0 52.7 1268 311 D D >> - 0 0 15 -2,-1.0 3,-2.2 -3,-0.1 4,-0.6 -0.946 43.4-153.4-133.7 117.8 75.5 94.2 53.9 1269 312 D P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 6,-1.4 0.694 94.0 76.1 -58.7 -16.0 72.5 92.0 55.0 1270 313 D W H 3> S+ 0 0 22 4,-0.3 4,-2.3 1,-0.2 -3,-0.0 0.898 92.5 54.5 -62.1 -33.1 70.3 94.9 53.9 1271 314 D D H <4 S+ 0 0 77 -3,-2.2 -1,-0.2 2,-0.2 -4,-0.0 0.799 105.8 52.3 -68.3 -31.9 71.0 93.6 50.3 1272 315 D W H < S- 0 0 53 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.945 141.8 -25.7 -70.6 -51.8 69.9 90.1 51.1 1273 316 D D H < S- 0 0 54 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 -0.070 93.0 -86.7-160.1 43.5 66.5 90.8 52.6 1274 317 D N < + 0 0 67 -4,-2.3 -4,-0.3 1,-0.2 -3,-0.1 0.863 64.4 173.8 47.1 41.5 66.5 94.4 54.0 1275 318 D I - 0 0 8 -6,-1.4 2,-1.1 1,-0.1 3,-0.5 -0.707 31.3-136.2 -78.3 121.3 67.8 93.0 57.3 1276 319 D P > + 0 0 2 0, 0.0 3,-1.0 0, 0.0 -465,-0.2 -0.033 61.8 127.9 -73.7 35.8 68.5 96.2 59.4 1277 320 D I T 3 S+ 0 0 2 -2,-1.1 -466,-0.5 1,-0.2 -465,-0.1 0.934 82.2 28.2 -58.1 -45.7 71.9 95.0 60.8 1278 321 D F T 3 0 0 37 -3,-0.5 -1,-0.2 1,-0.2 -438,-0.1 0.079 360.0 360.0-107.2 27.3 73.7 98.2 59.7 1279 322 D V < 0 0 32 -3,-1.0 -439,-0.2 -440,-0.1 -1,-0.2 0.409 360.0 360.0-121.1 360.0 70.9 100.9 59.8