HEADER TRANSFERASE 11-NOV-07 3BBY . COMPND 2 MOLECULE: UNCHARACTERIZED GST-LIKE PROTEIN YFCF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 191 # 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 X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 3 A K 0 0 148 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 111.8 -18.1 14.4 46.0 -18.9 15.4 45.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5940 0.7526 0.2840 0.7827 -0.6223 0.0123 0.1860 0.2150 -0.9587 2 4 A P - 0 0 43 0, 0.0 2,-0.6 0, 0.0 28,-0.1 0.000 360.0-108.0 -70.9 151.5 -15.5 16.0 48.3 -14.1 15.4 48.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2698 0.9436 0.1917 -0.8800 0.1608 0.4470 0.3910 -0.2893 0.8738 3 5 A A - 0 0 63 -2,-0.1 43,-2.5 28,-0.0 2,-0.5 0.000 42.2-170.4 -77.5 120.5 -15.4 19.8 48.4 -15.8 20.6 49.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6856 0.6902 -0.2314 -0.1264 -0.2002 -0.9716 -0.7169 0.6954 -0.0501 4 6 A I E +A 45 0A 8 -2,-0.6 28,-2.3 26,-0.2 2,-0.4 0.000 11.2 178.4-120.2 128.8 -12.1 20.8 46.7 -11.6 19.9 45.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6323 0.7246 -0.2741 0.1363 0.2442 0.9601 0.7626 -0.6444 0.0556 5 7 A T E -Ab 44 32A 23 39,-2.8 39,-3.1 -2,-0.5 2,-0.5 0.000 10.1-163.8-123.7 134.0 -10.6 24.3 46.6 -10.9 25.3 47.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7791 0.5710 -0.2587 -0.1680 -0.2074 -0.9637 -0.6040 0.7943 -0.0656 6 8 A L E -Ab 43 33A 0 26,-2.7 28,-2.5 -2,-0.4 2,-0.5 0.000 14.1-146.6-111.8 127.1 -7.3 25.3 45.0 -7.0 24.9 43.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6490 0.7570 -0.0753 0.2307 -0.1015 0.9677 0.7249 -0.6454 -0.2406 7 9 A W E +Ab 42 34A 54 35,-2.5 35,-0.8 -2,-0.5 2,-0.3 0.000 22.7 178.9 -94.3 128.2 -5.9 28.7 46.0 -5.5 28.9 47.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6068 0.7263 -0.3229 -0.6544 0.2259 -0.7216 -0.4511 0.6492 0.6124 8 10 A S E - b 0 35A 0 26,-2.9 28,-2.1 -2,-0.5 2,-0.1 0.000 35.8 -92.6-119.4 162.2 -4.0 30.6 43.3 -4.6 30.6 42.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5539 0.7910 -0.2599 0.7605 -0.3537 0.5446 0.3388 -0.4993 -0.7975 9 11 A D E > - b 0 36A 30 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0.8815 -0.4702 0.0439 -0.3494 -0.7120 -0.6091 0.3176 0.5216 -0.7919 14 16 A S > - 0 0 16 1,-0.2 4,-2.5 2,-0.1 5,-0.1 0.000 53.1-154.3 -60.9 128.8 2.3 30.8 39.6 1.8 30.5 40.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4283 -0.9027 -0.0404 0.7747 0.3899 -0.4977 0.4651 0.1819 0.8664 15 17 A P H > S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.000 98.0 53.6 -74.5 -19.2 4.0 27.9 37.9 5.4 27.9 37.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0490 -0.9954 0.0829 -0.9349 0.0165 -0.3545 0.3514 -0.0949 -0.9314 16 18 A Y H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.000 107.1 49.4 -81.3 -34.0 3.3 25.9 41.0 3.9 26.1 42.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7541 -0.4967 0.4296 -0.0113 -0.6443 -0.7647 0.6567 -0.5815 0.4802 17 19 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.000 110.1 53.2 -66.5 -41.9 -0.4 26.7 40.9 -1.1 28.1 41.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7525 -0.3205 -0.5754 0.0427 -0.8955 0.4430 -0.6573 0.3088 0.6875 18 20 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.000 108.0 50.7 -53.1 -47.3 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23 25 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.000 113.6 44.1 -56.5 -48.5 -2.8 17.5 38.6 -2.1 17.5 39.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7101 -0.5911 0.3825 -0.0735 -0.4781 -0.8752 0.7002 -0.6496 0.2961 24 26 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.6 0.000 116.6 45.4 -60.1 -48.0 -6.5 18.3 39.5 -7.0 19.5 40.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8955 -0.1449 -0.4209 0.0944 -0.9858 0.1386 -0.4350 0.0843 0.8965 25 27 A Q H ><5S+ 0 0 52 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.000 111.1 51.7 -65.5 -38.8 -7.7 18.6 35.9 -7.2 19.7 34.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1777 -0.6041 -0.7769 -0.7910 -0.3819 0.4779 -0.5854 0.6994 -0.4100 26 28 A E H 3<5S+ 0 0 37 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.000 108.4 51.9 -77.4 -22.9 -5.8 15.5 34.7 -4.3 15.3 34.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0927 -0.9948 0.0431 -0.8607 0.0583 -0.5058 0.5007 -0.0840 -0.8615 27 29 A K H 3<5S- 0 0 5 -4,-1.5 43,-0.4 -5,-0.3 -1,-0.3 0.000 112.3-126.1 -74.5 -17.3 -7.5 13.5 37.5 -7.3 13.7 39.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9119 -0.3690 0.1799 0.1202 -0.6591 -0.7424 0.3925 -0.6553 0.6454 28 30 A G T <<5 + 0 0 65 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.000 52.1 163.0 73.6 30.9 -10.8 14.9 36.3 -11.3 13.6 35.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8952 0.2367 0.3776 0.1952 0.9699 -0.1453 -0.4006 -0.0563 -0.9145 29 31 A L < - 0 0 22 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 0.000 39.7-124.1 -86.8 145.6 -11.6 16.2 39.7 -10.7 16.3 40.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5721 0.6790 0.4600 -0.8196 -0.4533 -0.3502 -0.0293 -0.5774 0.8159 30 32 A S + 0 0 103 -2,-0.2 2,-0.3 -28,-0.1 -26,-0.2 0.000 47.7 146.7 -86.1 129.3 -14.3 18.8 40.4 -15.7 18.4 40.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1102 0.8579 0.5019 0.6328 0.4500 -0.6301 -0.7664 0.2481 -0.5925 31 33 A F - 0 0 34 -2,-0.5 2,-0.4 -28,-0.1 -26,-0.2 0.000 43.1-121.8-156.8 163.1 -12.9 21.9 42.2 -11.4 21.6 42.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0940 0.9606 0.2615 -0.8753 -0.0454 0.4814 0.4743 -0.2742 0.8365 32 34 A H E -b 5 0A 138 -28,-2.3 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-1,-0.2 0.000 110.3 45.6 -63.4 -47.5 -0.3 18.0 46.1 -0.8 19.4 45.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6795 -0.4227 -0.5996 -0.1673 -0.7065 0.6877 -0.7143 0.5676 0.4093 56 76 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.000 112.8 51.4 -61.4 -44.2 0.0 15.9 42.9 1.1 16.2 41.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0309 -0.9731 -0.2283 -0.9782 -0.0175 0.2068 -0.2052 0.2297 -0.9514 57 77 A E H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.000 109.5 49.6 -59.5 -42.7 1.4 13.0 44.8 2.6 13.0 45.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3730 -0.7199 0.5853 -0.4135 -0.4357 -0.7995 0.8306 -0.5402 -0.1352 58 78 A Y H X S+ 0 0 57 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.000 109.8 51.2 -61.9 -44.1 -1.5 13.1 47.3 -1.9 14.3 48.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9588 -0.2820 -0.0348 0.2811 -0.9592 0.0304 -0.0420 0.0193 0.9989 59 79 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.000 111.4 47.9 -63.6 -40.2 -4.0 13.2 44.4 -4.2 14.3 43.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3898 -0.6736 -0.6279 -0.4797 -0.4335 0.7629 -0.7861 0.5985 -0.1542 60 80 A E H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.000 115.9 44.3 -67.8 -37.9 -2.4 10.2 42.8 -0.9 10.1 42.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0388 -0.9845 0.1711 -0.9686 -0.0792 -0.2356 0.2455 -0.1566 -0.9567 61 81 A D H < S+ 0 0 119 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.000 122.3 36.1 -68.5 -47.8 -2.3 8.3 46.1 -1.7 8.7 47.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6762 -0.4811 0.5580 -0.0736 -0.7095 -0.7009 0.7331 -0.5150 0.4443 62 82 A R H < S+ 0 0 97 -4,-3.2 2,-1.0 1,-0.3 -3,-0.2 0.000 123.4 40.1 -76.7 -44.1 -5.9 9.2 47.1 -6.3 10.5 47.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9526 -0.1636 -0.2565 0.1178 -0.9757 0.1849 -0.2805 0.1459 0.9487 63 83 A F S < S- 0 0 14 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 0.000 97.9-166.4-103.1 70.2 -7.6 9.1 43.7 -8.0 10.4 43.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0299 -0.4957 -0.8680 -0.3469 -0.8093 0.4741 -0.9374 0.3153 -0.1478 64 84 A A >> - 0 0 41 -2,-1.0 4,-1.5 -3,-0.4 3,-0.8 0.000 13.9 -85.2 -72.5 140.1 -5.6 6.1 42.7 -5.4 4.9 43.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2432 -0.5795 -0.7778 0.4381 0.7811 -0.4449 0.8654 -0.2326 0.4439 65 85 A P T 34 S+ 0 0 26 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.000 103.6 36.8 -61.5 153.7 -5.2 4.6 39.2 -3.9 4.7 38.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1894 -0.9276 -0.3222 -0.9795 0.2014 -0.0041 0.0687 0.3148 -0.9467 66 86 A P T 34 S+ 0 0 130 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.000 121.4 48.8 -85.4 -2.5 -6.8 2.7 37.5 -6.9 1.4 36.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7774 0.3867 -0.4961 0.4339 0.9007 0.0223 0.4555 -0.1979 -0.8680 67 87 A T T <4 S+ 0 0 113 -3,-0.8 2,-0.3 2,-0.1 -3,-0.1 0.000 123.5 30.7 -60.9 -48.1 -10.1 4.2 38.8 -10.6 4.2 40.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5226 0.8370 -0.1621 -0.2190 -0.3155 -0.9233 -0.8240 -0.4470 0.3482 68 88 A W S < S- 0 0 99 -4,-1.5 -41,-0.1 -8,-0.1 -42,-0.1 0.000 108.1 -84.3-107.2 155.7 -8.9 7.7 38.2 -8.7 8.8 39.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5973 0.5407 -0.5924 -0.5581 -0.2503 -0.7912 -0.5760 0.8032 0.1522 69 89 A E - 0 0 143 -43,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.000 47.3-112.2 -60.2 148.7 -6.5 8.7 35.5 -6.8 9.8 34.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9885 0.1247 -0.0853 0.1325 -0.9868 0.0934 -0.0725 -0.1036 -0.9920 70 90 A R + 0 0 78 1,-0.1 -1,-0.1 -4,-0.1 4,-0.1 0.000 32.9 174.3 -89.9 134.2 -2.8 8.4 36.1 -2.1 7.1 35.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8667 0.4911 0.0874 -0.3368 0.4468 0.8288 0.3680 -0.7478 0.5526 71 91 A I + 0 0 0 -2,-0.3 75,-3.0 -15,-0.1 76,-0.3 0.000 69.7 57.1-116.7 -9.5 -0.5 11.4 36.5 -1.0 12.8 37.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9208 0.3899 0.0102 0.1635 -0.3620 -0.9177 -0.3541 0.8467 -0.3971 72 92 A Y S S- 0 0 3 73,-0.2 7,-0.1 74,-0.1 -1,-0.1 0.000 97.5 -95.8-114.5 145.8 2.7 9.6 37.5 3.1 9.4 39.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6337 -0.7279 -0.2621 0.2401 0.5071 -0.8278 0.7354 0.4616 0.4960 73 93 A P - 0 0 16 0, 0.0 -2,-0.1 0, 0.0 6,-0.1 0.000 21.7-139.4 -58.3 145.3 4.4 6.8 35.4 5.8 7.0 35.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0353 -0.9983 0.0465 -0.9501 -0.0479 -0.3083 0.3100 -0.0333 -0.9501 74 94 A L S S+ 0 0 118 4,-0.1 2,-0.1 -4,-0.1 5,-0.0 0.000 82.5 83.6 -71.2 -43.4 3.5 3.2 36.3 2.7 2.3 35.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4633 -0.7935 0.3946 0.0436 0.4651 0.8842 -0.8851 -0.3924 0.2500 75 95 A D S > S- 0 0 74 1,-0.1 4,-2.6 2,-0.0 5,-0.2 0.000 80.6-136.1 -64.1 136.6 7.1 2.0 35.9 7.9 2.0 34.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8509 0.0428 0.5236 -0.3890 -0.6185 0.6827 0.3531 -0.7846 -0.5096 76 96 A L H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.000 101.9 47.9 -72.7 -29.7 9.1 2.6 39.0 9.4 1.6 40.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6950 0.6187 0.3662 -0.5923 0.7815 -0.1962 -0.4076 -0.0805 0.9096 77 97 A E H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.000 113.9 46.7 -75.3 -39.7 12.2 3.9 37.3 13.2 3.0 36.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2984 0.8354 -0.4615 -0.0851 0.5049 0.8590 0.9506 -0.2170 0.2217 78 98 A N H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.000 112.5 52.1 -63.7 -39.8 10.2 6.3 35.1 9.1 5.9 34.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4855 0.8576 0.1697 0.8740 0.4719 0.1159 0.0193 0.2046 -0.9787 79 99 A R H X S+ 0 0 56 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.000 108.7 50.1 -61.6 -41.9 8.3 7.3 38.2 7.4 6.4 39.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1838 0.6173 0.7650 -0.0774 0.7849 -0.6148 -0.9799 0.0538 0.1920 80 100 A A H X S+ 0 0 53 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.000 110.3 49.1 -65.0 -42.2 11.6 8.0 40.0 12.6 7.0 40.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6866 0.7270 -0.0024 -0.6568 0.6217 0.4267 0.3117 -0.2914 0.9044 81 101 A R H X S+ 0 0 109 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.000 107.7 55.2 -66.5 -37.7 12.8 10.1 37.1 13.2 9.6 35.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2050 0.9051 -0.3725 0.3990 0.4248 0.8126 0.8938 0.0180 -0.4482 82 102 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.000 111.7 44.0 -56.2 -45.5 9.5 12.1 37.0 8.1 11.5 37.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3250 0.7681 0.5518 0.6324 0.6103 -0.4770 -0.7032 0.1939 -0.6841 83 103 A R H X S+ 0 0 103 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.000 111.0 54.7 -69.4 -37.0 10.1 12.9 40.7 10.0 11.9 41.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6088 0.5861 0.5346 -0.4430 0.8102 -0.3838 -0.6581 -0.0032 0.7529 84 104 A Q H X S+ 0 0 90 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.000 109.7 47.3 -60.5 -45.4 13.7 13.7 40.0 14.7 12.8 39.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4857 0.8013 -0.3495 -0.1811 0.4833 0.8565 0.8552 -0.3527 0.3798 85 105 A I H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.000 112.3 48.3 -62.3 -48.3 12.6 16.2 37.4 11.9 15.8 36.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3993 0.9168 -0.0089 0.8484 0.3731 0.3755 0.3476 0.1424 -0.9268 86 106 A Q H X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.000 115.4 45.2 -56.6 -44.6 10.0 17.8 39.6 8.8 17.1 40.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0463 0.6540 0.7551 0.2687 0.7199 -0.6399 -0.9621 0.2326 -0.1424 87 107 A A H X S+ 0 0 58 -4,-2.6 4,-0.8 1,-0.2 3,-0.2 0.000 112.2 50.9 -68.6 -41.4 12.5 18.1 42.5 13.0 16.9 43.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7922 0.5589 0.2451 -0.5894 0.8048 0.0699 -0.1582 -0.1998 0.9670 88 108 A W H >X S+ 0 0 45 -4,-2.8 4,-1.8 1,-0.2 3,-1.1 0.000 107.8 51.8 -62.7 -46.9 15.3 19.4 40.3 15.9 18.7 39.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2564 0.8737 -0.4134 0.2246 0.3622 0.9046 0.9401 -0.3248 -0.1034 89 109 A L H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.000 112.8 46.6 -62.5 -27.1 13.2 22.2 38.6 11.9 21.9 37.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3535 0.9011 0.2512 0.9301 0.3672 -0.0084 -0.0998 0.2306 -0.9679 90 110 A R H 3< S+ 0 0 52 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.000 121.1 36.1 -90.0 -12.2 12.1 23.4 42.1 11.1 22.6 43.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3192 0.4814 0.8163 0.1380 0.8285 -0.5427 -0.9376 0.2859 0.1980 91 111 A S H << S+ 0 0 99 -3,-1.1 2,-0.2 -4,-0.8 -2,-0.2 0.000 117.6 39.9-118.2 -12.8 15.7 23.4 43.6 16.1 22.0 44.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9513 0.3080 0.0148 -0.3026 0.9232 0.2370 0.0593 -0.2300 0.9714 92 112 A D S < S+ 0 0 49 -4,-1.8 5,-0.1 -5,-0.1 29,-0.0 0.000 84.1 53.8-130.5-176.8 17.9 24.4 40.7 18.5 23.2 40.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2578 0.6138 -0.7462 0.1745 0.7300 0.6608 0.9503 -0.3006 0.0811 93 113 A L >> + 0 0 0 -2,-0.2 4,-2.0 1,-0.1 3,-0.5 0.000 55.4 159.1 59.2 33.8 18.0 26.9 37.7 17.0 26.2 36.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3592 0.9054 -0.2263 0.9153 0.3892 0.1042 0.1825 -0.1697 -0.9685 94 114 A X H 3> + 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.000 67.5 58.7 -57.8 -39.9 17.3 29.9 40.0 17.9 30.2 41.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1567 0.9788 -0.1320 -0.8789 -0.1992 -0.4334 -0.4505 0.0481 0.8915 95 115 A P H 3> S+ 0 0 32 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.000 106.8 46.6 -57.3 -41.4 18.7 32.3 37.5 20.1 32.1 36.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3662 0.4765 -0.7993 -0.5526 0.5797 0.5988 0.7486 0.6610 0.0510 96 116 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.000 114.0 49.6 -63.5 -45.5 16.2 31.3 34.8 16.0 29.9 34.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9752 0.1769 -0.1329 0.2016 0.9579 -0.2046 0.0911 -0.2263 -0.9698 97 117 A R H < S+ 0 0 37 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