HEADER TRANSFERASE 20-OCT-05 2C4J . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE MU 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TARS,M.ANDERSSON,Y.IVARSSON,B.OLIN,B.MANNERVIK . 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 . 868 # 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 2 A P 0 0 104 0, 0.0 26,-0.3 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 166.1 25.7 4.0 90.9 25.8 2.6 90.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9578 -0.1252 0.2585 -0.1771 0.9660 -0.1882 -0.2262 -0.2261 -0.9475 2 3 A M E -a 27 0A 9 24,-2.5 26,-2.9 62,-0.1 2,-0.5 0.000 360.0-132.1 -65.9 156.8 22.3 3.9 92.6 21.0 4.1 91.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4563 -0.6083 0.6494 0.5863 0.3434 0.7337 -0.6694 0.7155 0.1999 3 4 A T E -aB 28 63A 44 60,-2.4 60,-2.6 24,-0.2 2,-0.6 0.000 15.1-167.0-116.8 124.3 21.5 1.2 95.0 22.1 1.1 96.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6852 -0.6553 0.3180 -0.0022 -0.4348 -0.9005 0.7284 -0.6177 0.2965 4 5 A L E -aB 29 62A 0 24,-2.6 26,-2.2 -2,-0.5 2,-0.5 0.000 10.8-164.0-106.6 115.1 18.2 -0.8 94.8 17.6 -1.2 93.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5576 -0.6783 0.4785 -0.1032 0.6286 0.7708 -0.8237 0.3805 -0.4205 5 6 A G E +aB 30 61A 0 56,-2.6 56,-1.9 -2,-0.6 2,-0.3 0.000 27.8 124.9-102.7 131.0 17.6 -2.8 98.0 17.8 -2.2 99.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5702 -0.7122 0.4094 0.3227 -0.6525 -0.6856 0.7555 -0.2588 0.6019 6 7 A Y E -a 31 0A 18 24,-2.0 26,-2.3 -2,-0.5 -2,-0.0 0.000 61.6 -72.9-165.3 165.4 15.0 -5.6 98.0 14.2 -5.5 96.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3699 -0.9176 0.1456 -0.0465 0.1748 0.9835 -0.9279 0.3570 -0.1073 7 8 A W E -a 32 0A 21 -2,-0.3 2,-2.1 24,-0.2 26,-0.2 0.000 58.0-100.6 -56.3 156.0 14.4 -9.3 98.7 13.1 -9.9 99.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2278 -0.8148 -0.5331 0.9616 0.1022 0.2548 -0.1531 -0.5707 0.8068 8 9 A N S S+ 0 0 61 24,-2.2 2,-0.3 23,-0.1 -1,-0.1 0.000 95.3 88.0 -82.9 59.0 15.9 -11.6 96.1 17.1 -12.6 96.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2683 -0.5487 -0.7918 -0.2623 0.8325 -0.4880 0.9269 0.0768 -0.3673 9 10 A I S S- 0 0 13 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0.8330 346 130 B A H X S+ 0 0 46 -4,-1.7 4,-1.9 -3,-0.2 -1,-0.2 0.000 94.7 85.8 -86.4 -13.3 4.5 -0.5 118.0 4.2 -1.4 116.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1377 0.7806 -0.6097 0.7126 0.3495 0.6084 0.6880 -0.5182 -0.5081 347 131 B L H X S+ 0 0 4 -4,-1.1 4,-2.7 1,-0.2 5,-0.2 0.000 83.6 52.8 -62.3 -46.5 2.5 2.8 117.9 1.1 3.0 118.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1729 0.9839 -0.0443 0.4388 -0.1172 -0.8909 -0.8818 0.1346 -0.4520 348 132 B P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.000 110.3 50.0 -58.9 -38.3 5.0 5.1 119.5 5.6 4.9 120.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8223 0.4638 -0.3298 -0.5644 0.5902 -0.5772 -0.0731 0.6607 0.7470 349 133 B E H > S+ 0 0 129 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.000 110.5 49.7 -63.2 -42.4 7.7 4.0 117.0 8.3 2.6 116.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2126 0.2070 -0.9550 0.2519 0.9326 0.2583 0.9441 -0.2955 0.1461 350 134 B M H X S+ 0 0 25 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.000 114.2 45.0 -57.9 -49.6 5.4 4.6 114.1 4.0 4.0 113.9 0 0.0 0 0.0 0 0.0 0 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-2,-0.2 0.000 109.9 48.0 -59.6 -45.4 7.4 13.2 114.0 7.5 12.9 115.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7388 0.6691 0.0810 -0.4472 0.5765 -0.6838 -0.5042 0.4690 0.7252 356 140 B Q H < S+ 0 0 114 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.000 112.0 50.2 -61.4 -41.9 11.0 13.1 112.8 11.9 11.9 112.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5054 0.3849 -0.7723 -0.0947 0.9143 0.3937 0.8577 -0.1259 0.4986 357 141 B F H < S+ 0 0 14 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.000 110.6 48.0 -67.2 -41.7 9.9 13.6 109.2 9.1 12.6 108.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2828 0.7622 -0.5823 0.9163 0.3942 0.0710 0.2836 -0.5135 -0.8099 358 142 B L H >< S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.000 84.3 159.9 -64.1 -42.8 7.8 16.6 110.0 6.5 16.6 110.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1674 0.9635 0.2090 0.3205 0.1473 -0.9357 -0.9323 0.2237 -0.2841 359 143 B G T 3< - 0 0 32 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.000 68.1 -22.7 59.0-135.0 10.5 18.2 112.1 11.6 18.5 111.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1685 0.8993 0.4036 -0.1455 -0.3822 0.9125 0.9749 -0.2125 0.0664 360 144 B K T 3 S+ 0 0 219 -4,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.000 106.8 111.9 -89.4 -3.7 10.2 22.0 112.6 11.5 22.9 112.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5539 0.8104 -0.1908 -0.7588 -0.3972 0.5162 0.3425 0.4307 0.8350 361 145 B Q < - 0 0 57 -3,-1.5 6,-0.1 1,-0.1 3,-0.0 0.000 67.2-136.9 -74.8 147.7 8.0 22.6 109.6 8.0 21.8 108.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9428 0.2475 -0.2233 0.1411 0.9032 0.4054 0.3020 0.3507 -0.8864 362 146 B P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 90.5 26.6 -70.3 -30.8 4.3 23.6 110.0 3.9 25.0 109.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8915 -0.4285 -0.1471 0.1710 -0.6190 0.7666 -0.4195 0.6582 0.6251 363 147 B W B > S-H 367 0D 21 3,-1.8 3,-1.7 -5,-0.1 5,-0.1 0.000 90.3-104.5-130.4 163.8 3.3 21.2 107.2 2.5 21.9 106.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1173 -0.8290 -0.5469 -0.1189 -0.5584 0.8210 -0.9860 -0.0312 -0.1640 364 148 B F T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 5,-0.1 0.000 120.6 41.4 -65.7 -24.2 4.6 18.0 105.9 3.9 16.7 105.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7200 -0.3173 -0.6172 0.6892 0.4304 0.5828 0.0807 -0.8450 0.5286 365 149 B L T 3 S- 0 0 9 3,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.000 123.2 -97.6-101.4 9.2 6.0 19.6 102.7 5.3 19.5 101.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6333 0.6879 -0.3545 0.7554 -0.4500 0.4764 0.1682 -0.5695 -0.8046 366 150 B G B < S-H 364 0D 11 -3,-1.7 -3,-1.8 1,-0.1 -1,-0.2 0.000 84.0 -6.4 121.0-132.2 7.4 22.7 104.5 8.1 23.2 103.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1081 0.9425 0.3162 0.0901 -0.3075 0.9473 0.9901 0.1309 -0.0517 367 151 B D S S+ 0 0 145 -2,-0.4 2,-0.4 -5,-0.2 -1,-0.1 0.000 116.9 70.7 -80.0 -15.7 5.8 26.1 104.8 6.5 27.4 104.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8712 0.4879 -0.0550 -0.3600 -0.5586 0.7472 0.3338 0.6708 0.6623 368 152 B K S S- 0 0 59 -3,-0.1 -3,-0.4 -5,-0.1 2,-0.2 0.000 80.5-125.8-109.1 130.7 2.8 25.4 102.5 3.1 25.6 101.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8410 -0.5137 -0.1697 -0.4254 0.4341 0.7941 -0.3342 0.7401 -0.5836 369 153 B I + 0 0 12 -2,-0.4 2,-0.3 -5,-0.1 -2,-0.1 0.000 37.0 175.0 -69.5 138.7 -0.1 23.1 103.3 -1.4 23.5 104.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4801 -0.7323 -0.4829 0.8186 -0.5718 0.0534 -0.3153 -0.3697 0.8740 370 154 B T >> - 0 0 0 -2,-0.2 3,-1.7 -57,-0.0 4,-0.6 0.000 46.7 -84.9-139.1 177.5 -0.7 20.4 100.6 0.6 20.0 100.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4774 -0.7931 -0.3781 -0.8246 0.5531 -0.1189 0.3034 0.2550 -0.9181 371 155 B F H >> S+ 0 0 0 -69,-2.6 3,-1.4 1,-0.3 4,-1.4 0.000 119.2 65.1 -60.9 -30.6 -3.0 17.4 100.2 -3.5 16.8 98.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1942 -0.8556 0.4798 -0.3292 0.5175 0.7898 -0.9241 -0.0046 -0.3822 372 156 B V H 3> S+ 0 0 0 1,-0.3 4,-2.8 -70,-0.2 -1,-0.3 0.000 92.7 63.3 -66.6 -22.9 -0.7 15.0 102.1 0.7 14.6 101.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0957 -0.2809 0.9550 -0.9330 -0.3598 -0.0124 0.3470 -0.8898 -0.2965 373 157 B D H <> S+ 0 0 0 -3,-1.7 4,-2.5 2,-0.2 -1,-0.3 0.000 100.1 53.5 -65.2 -27.8 -1.4 17.1 105.2 -1.2 18.6 105.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7086 -0.0168 0.7054 0.3450 -0.8804 0.3255 0.6155 0.4740 0.6296 374 158 B F H < S- 0 0 62 -4,-3.0 3,-2.4 -5,-0.1 -1,-0.3 0.000 74.7-158.3-139.1 90.0 -5.4 5.7 121.9 -4.1 5.0 121.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4336 0.6374 0.6370 -0.8248 -0.0040 0.5655 0.3630 -0.7705 0.5239 388 172 B P T 3 S+ 0 0 94 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.000 88.5 44.6 -46.2 -34.2 -6.2 9.2 123.3 -7.2 9.3 124.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5070 0.8325 0.2235 0.1363 0.1786 -0.9744 -0.8511 0.5245 -0.0229 389 173 B S T > S+ 0 0 64 1,-0.2 3,-1.7 2,-0.1 4,-0.4 0.000 80.3 106.0 -91.6 2.6 -2.7 9.9 124.7 -2.2 9.3 126.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9513 0.2023 -0.2324 -0.2927 0.8291 -0.4765 0.0963 0.5213 0.8479 390 174 B C T < S+ 0 0 16 -3,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.000 81.4 43.2 -65.4 -26.1 -0.7 8.6 121.7 -1.1 7.7 120.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7887 0.2543 -0.5597 0.5734 0.0240 0.8189 0.2217 -0.9668 -0.1269 391 175 B L T > S+ 0 0 0 -3,-0.4 3,-2.3 -4,-0.2 7,-0.5 0.000 87.2 93.5 -90.5 -7.1 0.5 12.0 120.3 -0.4 13.0 119.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6034 0.7732 0.1949 0.7903 -0.6125 -0.0167 0.1064 0.1641 -0.9807 392 176 B D T < S+ 0 0 89 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.000 82.4 53.3 -60.9 -33.5 1.3 13.5 123.8 0.7 13.1 125.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7899 0.3960 0.4683 0.0206 0.7461 -0.6656 -0.6129 0.5354 0.5812 393 177 B A T 3 S+ 0 0 81 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.000 102.2 66.2 -76.2 -2.5 5.0 12.5 123.5 5.5 11.1 123.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8430 0.2630 -0.4693 -0.0061 0.8770 0.4805 0.5379 -0.4022 0.7408 394 178 B F X> - 0 0 26 -3,-2.3 4,-2.3 1,-0.2 3,-0.8 0.000 61.3-175.5-127.2 82.4 5.4 14.2 120.1 5.0 13.3 119.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0192 0.7971 -0.6035 0.7754 0.3930 0.4943 0.6312 -0.4584 -0.6257 395 179 B P H 3> S+ 0 0 91 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 83.8 52.8 -48.0 -43.1 5.0 18.0 120.5 6.1 18.8 121.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3409 0.7326 -0.5892 -0.9365 -0.3194 0.1447 -0.0821 0.6011 0.7949 396 180 B N H 3> S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.000 110.2 47.6 -67.4 -33.4 5.2 18.7 116.7 6.4 18.6 115.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6119 -0.0511 -0.7893 -0.6057 0.6719 0.4262 0.5086 0.7389 -0.4421 397 181 B L H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.000 111.8 50.3 -71.5 -41.9 2.4 16.1 116.0 2.5 14.6 116.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9960 -0.0365 0.0814 -0.0821 0.7306 -0.6778 -0.0347 -0.6818 -0.7307 398 182 B K H X S+ 0 0 82 -4,-2.3 4,-2.0 -7,-0.5 -2,-0.2 0.000 113.2 46.2 -54.4 -47.2 0.2 17.6 118.7 0.6 17.8 120.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5472 0.8352 0.0551 -0.6918 -0.4143 -0.5914 -0.4711 -0.3617 0.8045 399 183 B D H X S+ 0 0 98 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.000 108.9 56.1 -70.5 -31.2 0.8 21.1 117.3 2.1 21.9 117.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2867 0.5317 -0.7969 -0.9438 -0.0142 0.3301 0.1642 0.8468 0.5059 400 184 B F H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.000 107.5 48.3 -64.1 -47.4 0.1 19.8 113.7 0.8 18.6 113.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8247 -0.1728 -0.5385 -0.1586 0.9846 -0.0731 0.5429 0.0251 -0.8394 401 185 B I H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.000 114.6 46.1 -57.8 -44.6 -3.3 18.5 114.8 -3.6 17.4 115.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8804 0.4327 0.1942 -0.1075 0.2168 -0.9703 -0.4619 -0.8751 -0.1443 402 186 B S H X S+ 0 0 78 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.000 112.0 50.3 -67.3 -42.5 -4.1 21.8 116.5 -3.4 22.3 117.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2540 0.9235 -0.2874 -0.8763 -0.3455 -0.3357 -0.4093 0.1665 0.8971 403 187 B R H X S+ 0 0 79 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.000 112.7 47.3 -61.3 -43.5 -2.9 23.9 113.5 -1.5 23.9 113.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3709 0.2386 -0.8975 -0.6968 0.5673 0.4388 0.6139 0.7882 -0.0442 404 188 B F H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.000 113.0 46.8 -63.7 -47.7 -5.0 21.8 111.1 -4.8 20.3 110.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9666 -0.0505 -0.2513 0.0595 0.9094 -0.4117 0.2494 -0.4129 -0.8760 405 189 B E H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.000 108.2 59.4 -68.2 -21.0 -8.2 22.0 113.2 -8.4 21.2 114.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6706 0.6900 0.2725 -0.3091 0.0741 -0.9481 -0.6744 -0.7200 0.1636 406 190 B G H 3< S+ 0 0 55 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.000 75.6 115.7 -82.6 -11.8 -7.6 25.7 113.6 -6.3 26.2 114.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1184 0.8724 -0.4742 -0.9929 -0.0981 0.0674 0.0123 0.4788 0.8778 407 191 B L S S+ 0 0 167 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.000 109.7 40.5 -46.9 -52.0 -10.7 28.7 109.1 -10.7 30.0 108.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9558 -0.1404 -0.2583 -0.1903 -0.3744 0.9076 -0.2241 0.9166 0.3311 409 193 B K H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.000 115.2 52.8 -72.4 -29.3 -12.5 26.4 106.8 -12.1 26.1 105.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4802 -0.8768 0.0243 -0.6960 0.3978 0.5978 -0.5338 0.2702 -0.8013 410 194 B I H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.000 111.2 44.4 -71.0 -47.5 -11.7 23.3 108.8 -10.3 22.7 109.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3722 -0.4454 0.8143 -0.8427 -0.2056 -0.4976 0.3890 -0.8714 -0.2988 411 195 B S H X S+ 0 0 44 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.000 112.5 53.4 -66.1 -34.8 -13.1 24.7 112.1 -12.4 25.8 112.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9099 0.2174 0.3533 -0.2351 -0.9719 -0.0074 0.3417 -0.0898 0.9355 412 196 B A H < S+ 0 0 42 -4,-2.0 3,-0.4 -5,-0.4 -1,-0.2 0.000 111.6 46.3 -61.5 -41.8 -16.1 26.0 110.2 -16.1 26.9 109.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8419 -0.4351 -0.3193 -0.3140 -0.0865 0.9455 -0.4390 0.8962 -0.0638 413 197 B Y H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 6,-0.5 0.000 108.3 55.6 -65.4 -43.5 -16.7 22.5 108.9 -15.7 21.8 108.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3544 -0.8627 0.3609 -0.9204 0.3900 0.0285 -0.1653 -0.3220 -0.9322 414 198 B M H 3< S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.000 105.1 51.7 -69.1 -19.2 -16.2 20.8 112.2 -14.9 20.7 112.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4931 -0.1681 0.8536 -0.6747 -0.5455 -0.4972 0.5492 -0.8210 0.1556 415 199 B K T 3< S+ 0 0 173 -4,-1.1 -1,-0.3 -3,-0.4 2,-0.2 0.000 100.9 86.4 -92.5 3.3 -18.9 22.9 113.9 -18.7 24.4 114.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9938 0.1019 0.0439 -0.0802 -0.9333 0.3501 0.0766 0.3444 0.9357 416 200 B S S X S- 0 0 30 -3,-1.8 3,-1.2 -4,-0.2 -3,-0.0 0.000 88.4-114.5-104.1 166.0 -21.4 22.0 111.2 -21.1 22.4 109.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6857 -0.6496 -0.3284 -0.5772 0.2103 0.7891 -0.4435 0.7306 -0.5191 417 201 B S T 3 S+ 0 0 125 1,-0.2 -3,-0.1 -2,-0.2 -1,-0.1 0.000 109.2 71.3 -75.5 -7.0 -23.7 19.1 110.6 -25.3 19.3 110.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0323 -0.8834 -0.4676 0.7059 -0.3513 0.6150 -0.7076 -0.3102 0.6349 418 202 B R T 3 S+ 0 0 107 -5,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.000 72.8 103.8 -80.0 -20.2 -21.7 18.0 107.6 -21.2 18.9 106.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7242 -0.6489 -0.2333 -0.6177 -0.7608 0.1988 -0.3066 0.0002 -0.9518 419 203 B F < - 0 0 48 -3,-1.2 3,-0.1 -6,-0.5 -5,-0.0 0.000 48.8-175.8 -69.4 129.7 -18.8 16.9 109.8 -18.3 17.7 111.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3174 -0.8522 0.4159 0.2147 -0.3626 -0.9069 0.9237 0.3772 0.0679 420 204 B L + 0 0 27 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.000 21.3 152.4-130.1 73.1 -18.7 13.1 110.1 -19.2 12.4 108.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3658 -0.8659 0.3411 -0.2712 0.2514 0.9291 -0.8903 -0.4324 -0.1428 421 205 B P + 0 0 34 0, 0.0 -1,-0.1 0, 0.0-194,-0.1 0.000 53.6 86.6 -75.2 -20.3 -16.0 12.0 112.5 -15.8 12.9 113.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4045 -0.8246 0.3954 0.3567 -0.2558 -0.8985 0.8421 0.5045 0.1906 422 206 B R + 0 0 104 -3,-0.1 2,-0.1 1,-0.1 11,-0.1 0.000 63.8 39.6-142.2 150.9 -17.8 8.8 113.5 -18.2 8.8 115.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6590 -0.7406 -0.1311 0.6019 -0.4147 -0.6825 0.4511 -0.5287 0.7190 423 207 B P - 0 0 29 0, 0.0-196,-2.9 0, 0.0-195,-0.3 0.000 66.4-163.5 -68.1 148.6 -18.3 5.9 112.9 -19.0 4.6 112.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8871 -0.4263 -0.1772 0.4127 0.5602 0.7182 -0.2069 -0.7102 0.6729 424 208 B V S S+ 0 0 2 10,-0.4-196,-2.4 8,-0.2 2,-0.2 0.000 70.9 15.6 -66.8 -44.2 -14.6 5.5 112.0 -13.4 5.2 113.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5184 -0.4118 -0.7495 -0.3577 0.6917 -0.6274 0.7767 0.5933 0.2112 425 209 B F S S- 0 0 9 7,-2.9-198,-0.2 1,-0.2 7,-0.1 0.000 95.8 -73.2-122.3-174.9 -15.2 2.2 110.2 -14.3 1.0 110.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5885 -0.6341 -0.5016 -0.0796 0.6629 -0.7445 0.8045 -0.3982 -0.4406 426 210 B S > - 0 0 11 -2,-0.2 3,-1.9-200,-0.1 -1,-0.2 0.000 51.0 -93.7 -80.8 174.3 -18.1 0.2 108.7 -18.0 -0.6 107.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8028 -0.5226 0.2871 -0.3996 0.8289 0.3915 -0.4425 0.1996 -0.8743 427 211 B K T 3 S+ 0 0 66 1,-0.3-173,-0.1-175,-0.1 6,-0.1 0.000 122.2 61.4 -60.8 -21.7 -20.8 -1.7 110.6 -22.2 -1.9 110.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0486 -0.8492 0.5258 0.5718 0.4080 0.7117 -0.8189 0.3353 0.4658 428 212 B M T 3 S+ 0 0 91 -171,-0.1 -1,-0.3-175,-0.0 5,-0.1 0.000 80.7 109.4 -81.8 -10.2 -18.7 -4.9 110.2 -18.3 -5.6 108.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7530 -0.4963 0.4320 -0.5523 -0.1197 0.8250 -0.3578 -0.8599 -0.3642 429 213 B A < - 0 0 7 -3,-1.9 -97,-0.3 1,-0.1 4,-0.2 0.000 63.8-144.7 -69.2 150.7 -15.7 -3.6 112.2 -15.2 -2.1 112.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4106 -0.1350 0.9018 0.2406 -0.9379 -0.2499 0.8795 0.3196 -0.3526 430 214 B V S S+ 0 0 68 -99,-2.7 2,-0.4 1,-0.2 -98,-0.2 0.000 92.5 27.8 -77.7 -39.8 -14.8 -4.9 115.6 -13.7 -5.9 115.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0602 0.3600 0.9310 -0.9918 0.1268 0.0151 -0.1126 -0.9243 0.3646 431 215 B W S S+ 0 0 55 -100,-1.6 -1,-0.2 1,-0.1 -45,-0.0 0.000 124.8 22.4-121.1 139.0 -13.7 -1.4 116.8 -12.3 -1.2 117.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0775 0.9872 -0.1397 -0.9588 -0.0354 0.2820 0.2734 0.1558 0.9492 432 216 B G S S+ 0 0 10 -2,-0.4 -7,-2.9 -3,-0.1 -8,-0.2 0.000 75.4 127.3 86.4 17.6 -15.0 1.9 115.3 -13.8 2.1 114.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5935 0.4006 -0.6980 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0.0449 -0.9673 -0.2495 -0.7722 -0.1921 0.6057 779 129 D Q H < S+ 0 0 151 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.000 113.9 40.2 -69.7 -30.2 -4.3 19.9 39.6 -3.3 21.0 39.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0805 -0.3389 -0.9374 -0.9717 -0.2364 0.0021 -0.2223 0.9107 -0.3483 780 130 D A H X S+ 0 0 56 -4,-1.3 4,-1.7 -3,-0.4 -2,-0.2 0.000 96.9 81.4 -90.6 -17.7 -2.9 16.6 38.4 -1.4 16.2 38.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2168 -0.9562 -0.1965 -0.5942 0.2890 -0.7506 0.7745 -0.0459 -0.6309 781 131 D L H X S+ 0 0 3 -4,-1.5 4,-2.6 1,-0.2 5,-0.3 0.000 84.4 55.5 -62.9 -45.3 -5.4 14.3 40.1 -6.0 14.5 41.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7533 -0.6069 -0.2534 0.6420 -0.5951 -0.4834 0.1426 -0.5268 0.8379 782 132 D P H > S+ 0 0 72 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.000 108.9 48.1 -58.9 -38.2 -8.2 14.5 37.6 -8.9 15.8 37.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1998 -0.4629 -0.8636 -0.1415 -0.8585 0.4929 -0.9696 0.2206 0.1060 783 133 D E H > S+ 0 0 75 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.000 110.6 51.8 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-11.8 0.7 34.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8787 -0.4443 -0.1744 0.4692 -0.7371 -0.4864 0.0875 -0.5093 0.8561 793 143 D G T 3< S- 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.000 73.0 -25.1 57.3-132.6 -14.2 1.1 30.9 -13.8 0.4 29.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9548 -0.2768 -0.1084 -0.2973 0.8931 0.3377 0.0033 0.3546 -0.9350 794 144 D K T 3 S+ 0 0 219 -3,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 0.000 106.1 119.1 -95.1 4.4 -17.2 -1.1 31.3 -18.2 -1.3 30.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3566 -0.8108 0.4642 0.1365 0.4463 0.8844 -0.9242 0.3787 -0.0485 795 145 D Q < - 0 0 57 -3,-1.9 6,-0.1 -4,-0.1 3,-0.0 0.000 64.4-138.0 -67.4 144.6 -15.2 -4.0 32.8 -13.7 -4.2 32.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0456 -0.4932 0.8687 -0.8984 -0.4005 -0.1803 0.4368 -0.7722 -0.4614 796 146 D P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 88.2 23.9 -70.4 -32.3 -16.0 -5.1 36.3 -16.7 -6.5 36.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4440 0.0605 0.8940 -0.1172 0.9931 -0.0089 -0.8883 -0.1008 0.4480 797 147 D W B > S-P 803 0H 20 3,-2.0 3,-1.6 -5,-0.1 5,-0.1 0.000 90.5-102.7-131.8 164.1 -12.3 -5.5 37.2 -12.0 -6.9 37.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9707 0.2101 -0.1164 -0.1756 0.9514 0.2531 0.1639 -0.2252 0.9604 798 148 D F T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.3 5,-0.1 0.000 121.5 39.9 -65.2 -25.3 -9.1 -4.0 35.9 -8.0 -3.3 36.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6250 -0.0849 -0.7760 -0.7480 0.2195 -0.6264 0.2235 0.9719 0.0737 799 149 D L T 3 S- 0 0 12 3,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.000 123.8 -99.1-101.7 7.0 -8.1 -7.1 33.9 -7.1 -8.1 34.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2687 -0.6200 -0.7372 -0.0553 0.7740 -0.6308 0.9616 -0.1287 -0.2422 800 150 D G B < S-P 800 0H 9 -3,-1.6 -3,-2.0 1,-0.1 -1,-0.2 0.000 83.2 -4.7 123.2-128.9 -11.6 -7.8 32.7 -11.1 -8.8 31.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8880 -0.4533 0.0769 -0.4448 0.8894 0.1057 -0.1163 0.0596 -0.9914 801 151 D D S S+ 0 0 145 -2,-0.4 2,-0.5 -5,-0.2 -1,-0.1 0.000 115.8 72.9 -81.8 -19.2 -14.2 -10.3 34.0 -14.9 -11.3 33.1 0 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