HEADER LYASE 17-JAN-05 1YKD . COMPND 2 MOLECULE: ADENYLATE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR S.E.MARTINEZ,S.BRUDER,A.SCHULTZ,N.ZHENG,J.E.SCHULTZ, . 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 . 763 # 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 58 A V 0 0 10 0, 0.0 3,-0.2 0, 0.0 411,-0.2 0.000 360.0 360.0 360.0 -36.6 -4.8 17.8 20.8 -4.8 18.5 22.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5961 0.7335 -0.3266 -0.4968 -0.6565 -0.5676 -0.6307 -0.1761 0.7558 2 59 A T + 0 0 63 1,-0.2 4,-0.1 2,-0.1 406,-0.1 0.000 360.0 60.9-112.0 16.1 -4.1 20.7 18.3 -3.3 21.8 18.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1612 0.3460 -0.9243 -0.9154 -0.2976 -0.2711 -0.3689 0.8898 0.2687 3 60 A E > + 0 0 72 2,-0.1 4,-2.3 3,-0.1 5,-0.2 0.000 67.9 105.1-120.4 5.8 -3.0 18.7 15.2 -1.7 18.0 15.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2307 -0.4899 -0.8407 -0.4643 0.8147 -0.3474 0.8551 0.3102 -0.4154 4 61 A V H > S+ 0 0 0 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.000 81.1 46.0 -57.5 -51.3 -6.2 16.7 14.4 -7.4 16.5 15.3 0 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116.0 -1.2 -21.6 -3.1 -2.3 -20.9 -2.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2612 -0.3593 0.8959 0.9647 0.0649 -0.2552 0.0335 0.9309 0.3636 74 131 A I - 0 0 60 -2,-0.6 -13,-2.3 2,-0.0 2,-0.4 0.000 10.8-176.5 -92.9 137.9 0.8 -24.0 -0.9 2.3 -24.4 -1.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1160 -0.2209 0.9684 -0.9347 -0.3541 0.0312 0.3360 -0.9087 -0.2476 75 132 A R E +C 60 0A 97 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 0.000 8.5 161.3-142.3 122.8 -0.1 -24.0 2.8 -1.6 -23.7 3.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0313 -0.3439 0.9385 0.9306 0.3527 0.0982 -0.3647 0.8703 0.3310 76 133 A I E -C 59 0A 11 -17,-2.5 -17,-2.4 -2,-0.4 2,-0.1 0.000 48.0 -82.3-136.2 160.6 1.6 -26.0 5.6 3.0 -26.5 5.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2084 -0.2189 0.9532 -0.9438 -0.3008 0.1372 0.2567 -0.9282 -0.2693 77 134 A P E > -C 58 0A 56 0, 0.0 3,-1.8 0, 0.0 -19,-0.3 0.000 43.9-122.6 -61.1 141.0 1.9 -26.0 9.4 1.9 -27.3 10.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6503 0.4421 0.6177 -0.4381 0.8826 -0.1704 -0.6206 -0.1598 0.7677 78 135 A A T 3 S+ 0 0 6 -21,-1.9 10,-0.2 1,-0.3 -20,-0.1 0.000 108.9 53.0 -68.9 -10.6 4.6 -23.4 10.4 4.3 -22.2 11.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9595 0.0512 0.2769 0.2763 -0.3620 -0.8903 0.0547 0.9308 -0.3615 79 136 A D T 3 S+ 0 0 109 -22,-0.3 -1,-0.3 8,-0.1 2,-0.3 0.000 95.1 89.5 -99.0 -3.2 6.6 -26.1 12.2 6.2 -26.6 13.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6390 -0.7619 -0.1058 0.6614 0.6144 -0.4301 0.3927 0.2049 0.8966 80 137 A K S <> S+ 0 0 96 -3,-1.8 4,-1.5 4,-0.1 5,-0.1 0.000 75.6 1.3-103.7 151.7 6.9 -28.6 9.3 5.6 -29.2 8.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4774 -0.3229 -0.8172 0.8235 -0.1600 0.5443 -0.3065 -0.9328 0.1896 81 138 A G H > S- 0 0 23 -2,-0.3 4,-1.5 2,-0.2 24,-0.1 0.000 98.2 -60.6 76.6 177.8 9.3 -29.1 6.5 8.4 -28.5 5.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8246 0.3848 -0.4147 0.5135 -0.8167 0.2632 -0.2374 -0.4300 -0.8711 82 139 A I H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.000 136.4 59.4 -62.1 -38.6 12.5 -27.2 5.6 13.3 -27.4 4.3 0 0.0 0 0.0 0 0.0 0 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117.0 39.4 -57.2 -39.9 10.9 -20.0 9.9 9.4 -20.4 9.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1961 0.3684 0.9088 0.6523 0.7409 -0.1596 -0.7322 0.5615 -0.3856 88 145 A T H < S+ 0 0 83 -4,-2.0 -2,-0.2 -10,-0.2 -3,-0.2 0.000 130.0 22.8 -79.5 -52.6 11.8 -21.2 13.3 11.6 -22.7 13.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6546 0.1383 0.7432 -0.3527 0.9254 0.1385 -0.6686 -0.3528 0.6546 89 146 A F H < S- 0 0 139 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.000 90.4-137.4-101.2 -8.3 15.6 -21.0 13.5 16.4 -22.3 13.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8310 0.5231 -0.1894 -0.3132 0.7213 0.6178 0.4598 -0.4540 0.7632 90 147 A K < + 0 0 74 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.1 0.000 55.2 131.7 57.4 38.1 16.1 -18.3 10.8 16.0 -17.0 11.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7471 0.4071 -0.5255 -0.3355 -0.4516 -0.8268 -0.5739 0.7939 -0.2008 91 148 A Q - 0 0 130 -6,-0.3 2,-0.3 34,-0.1 -1,-0.2 0.000 64.1-103.8-110.8 153.6 19.1 -20.0 9.1 19.9 -21.1 9.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3757 -0.2619 -0.8890 0.0545 0.9638 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2,-0.4 -10,-0.2 -10,-0.2 0.000 15.7-160.3 -93.5 133.9 -30.2 -10.4 33.3 -29.9 -9.9 34.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7841 -0.6204 0.0199 0.2047 0.2281 -0.9519 0.5860 0.7504 0.3058 261 318 A L E -I 249 0C 17 -12,-2.3 -12,-1.7 -2,-0.4 2,-0.4 0.000 6.8-172.9-110.5 146.1 -27.9 -13.2 32.1 -27.5 -13.4 30.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8084 -0.5350 0.2456 -0.4909 -0.3825 0.7827 -0.3248 -0.7533 -0.5719 262 319 A R E +I 248 0C 91 -2,-0.4 -14,-0.2 -14,-0.2 -2,-0.0 0.000 5.4 175.0-141.5 127.5 -25.0 -14.6 34.2 -25.3 -14.6 35.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7560 -0.6323 0.1693 0.5347 0.4472 -0.7171 0.3777 0.6326 0.6761 263 320 A V E -I 247 0C 10 -16,-2.0 -16,-3.0 -2,-0.4 3,-0.1 0.000 32.5-114.1-133.0 137.5 -22.3 -17.1 33.2 -22.1 -17.3 31.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8465 -0.5073 0.1613 -0.4209 -0.4523 0.7863 -0.3260 -0.7335 -0.5964 264 321 A P E > -I 246 0C 69 0, 0.0 3,-2.0 0, 0.0 -18,-0.3 0.000 43.4 -99.4 -61.0 142.8 -19.3 -18.5 35.0 -19.2 -19.9 35.5 0 0.0 0 0.0 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-2,-0.2 0.000 66.9-114.7-129.9 134.6 -8.7 -14.1 22.7 -7.8 -15.3 22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5007 -0.1551 -0.8516 -0.0940 0.9877 -0.1247 0.8605 0.0176 -0.5092 279 336 A K - 0 0 74 -2,-0.4 2,-0.3 -3,-0.1 33,-0.2 0.000 22.3-158.4 -62.1 156.3 -11.5 -13.6 20.3 -11.5 -12.6 19.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6526 -0.5755 -0.4928 -0.4628 -0.2122 0.8607 -0.5999 0.7898 -0.1279 280 337 A L E -J 311 0C 52 31,-2.3 31,-2.9 2,-0.0 2,-0.5 0.000 6.0-165.6-135.4 134.9 -13.7 -16.5 18.9 -14.3 -17.4 19.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6526 -0.3226 -0.6856 0.6997 0.0907 -0.7086 0.2908 -0.9422 0.1665 281 338 A N E -J 310 0C 43 -2,-0.3 29,-0.2 29,-0.2 76,-0.0 0.000 11.0-166.6-121.6 106.4 -15.7 -16.4 15.7 -15.1 -15.7 14.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6675 -0.4646 -0.5819 -0.6940 0.1052 0.7122 -0.2697 0.8793 -0.3926 282 339 A I E -J 309 0C 7 27,-2.9 27,-2.1 -2,-0.5 73,-0.2 0.000 10.7-149.8 -99.6 115.0 -18.2 -19.2 15.6 -19.0 -19.6 16.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6673 -0.4916 -0.5596 0.7294 -0.2791 -0.6246 0.1508 -0.8249 0.5448 283 340 A P - 0 0 71 0, 0.0 71,-0.1 0, 0.0 6,-0.1 0.000 39.6 -40.5 -80.8 165.7 -19.7 -19.8 12.1 -18.8 -20.4 11.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8528 -0.2973 -0.4294 -0.4608 0.8152 0.3509 0.2458 0.4971 -0.8322 284 341 A F S S+ 0 0 73 1,-0.2 24,-0.1 2,-0.1 68,-0.1 0.000 121.6 36.5 -58.3 138.2 -23.2 -21.2 11.3 -24.1 -20.7 10.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3289 -0.9344 -0.1367 0.0432 -0.1595 0.9863 -0.9434 0.3185 0.0928 285 342 A D > + 0 0 30 22,-0.3 3,-2.1 -3,-0.1 4,-0.3 0.000 62.8 175.5 -98.2 124.0 -24.4 -23.5 12.7 -25.5 -24.6 12.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1125 -0.0066 0.9936 0.1749 0.9842 0.0264 -0.9781 0.1767 -0.1096 286 343 A L G > S+ 0 0 0 21,-2.5 3,-1.7 1,-0.3 6,-0.1 0.000 78.4 69.4 -54.0 -32.8 -23.1 -22.7 16.3 -23.5 -21.4 17.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0996 -0.5149 0.8514 0.7648 -0.5078 -0.3965 0.6365 0.6907 0.3433 287 344 A Y G 3 S+ 0 0 18 1,-0.3 -1,-0.3 19,-0.2 5,-0.1 0.000 92.8 58.8 -62.1 -19.8 -25.2 -25.6 17.6 -26.7 -25.9 17.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1378 -0.9799 0.1445 0.6555 0.1996 0.7283 -0.7425 -0.0056 0.6698 288 345 A D G < S+ 0 0 138 -3,-2.1 -1,-0.3 3,-0.1 -2,-0.2 0.000 85.0 100.1 -82.8 -11.8 -22.8 -28.0 15.8 -22.6 -28.1 14.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8997 -0.4186 0.1234 -0.3423 -0.5012 0.7947 -0.2708 -0.7573 -0.5943 289 346 A H S X S- 0 0 57 -3,-1.7 3,-1.5 -4,-0.3 4,-0.1 0.000 80.1-127.1 -75.2 141.0 -19.8 -26.7 17.8 -19.5 -25.2 18.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5205 -0.2177 0.8257 0.3501 -0.8276 -0.4389 0.7788 0.5174 -0.3545 290 347 A P T 3 S+ 0 0 115 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.000 106.7 52.8 -65.4 -14.8 -18.6 -28.8 20.7 -17.2 -29.4 20.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0518 0.0169 0.9985 -0.9855 -0.1625 -0.0484 0.1614 -0.9866 0.0251 291 348 A D T 3 S+ 0 0 80 1,-0.2 3,-0.5 -5,-0.1 4,-0.3 0.000 79.0 100.5-103.4 17.3 -18.8 -25.8 23.2 -17.6 -24.8 23.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5853 0.6305 0.5099 -0.3977 -0.7712 0.4971 0.7066 0.0882 0.7021 292 349 A S <> + 0 0 4 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.000 44.9 101.2 -87.7 3.6 -22.4 -24.8 22.4 -23.0 -25.1 21.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9219 0.1492 0.3576 0.3493 0.7197 0.6001 -0.1678 0.6781 -0.7156 293 350 A A H > S+ 0 0 73 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.000 82.3 50.4 -58.1 -41.1 -24.1 -26.4 25.4 -23.5 -27.4 26.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6606 0.2901 0.6924 -0.7040 0.0810 -0.7056 -0.2608 -0.9536 0.1507 294 351 A T H > S+ 0 0 36 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.000 109.1 50.6 -64.4 -46.1 -24.5 -23.1 27.3 -23.3 -22.2 27.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5987 0.8005 -0.0274 -0.7562 -0.5536 0.3489 0.2642 0.2296 0.9367 295 352 A A H > S+ 0 0 17 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.000 106.5 56.7 -57.4 -42.2 -26.0 -21.3 24.3 -25.4 -21.1 22.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9043 -0.0020 -0.4269 -0.3667 0.5157 0.7743 0.2186 0.8568 -0.4671 296 353 A K H X S+ 0 0 68 -4,-2.0 4,-1.6 1,-0.2 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H S+ 0 0 0 -3,-0.5 4,-1.6 -4,-0.4 -1,-0.3 0.000 108.7 47.8 -63.3 -34.8 -13.4 0.3 17.0 -13.8 1.2 15.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5406 0.6197 0.5689 0.6568 -0.1117 0.7458 0.5257 0.7768 -0.3466 366 423 A F H <> S+ 0 0 14 -3,-1.0 4,-2.0 -4,-0.4 -2,-0.2 0.000 108.5 53.7 -72.7 -39.5 -16.7 -0.4 18.9 -17.9 -1.2 18.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2664 -0.2499 0.9309 0.2998 0.8964 0.3264 -0.9160 0.3661 -0.1639 367 424 A N H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.000 110.5 47.5 -58.0 -44.6 -14.8 -2.7 21.5 -13.9 -3.8 21.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5520 0.1770 0.8149 -0.8247 0.2605 0.5020 -0.1234 -0.9491 0.2898 368 425 A I H X S+ 0 0 25 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.000 109.8 51.9 -64.9 -43.1 -12.4 0.2 22.2 -11.4 0.8 21.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0257 0.8618 0.5065 -0.0580 -0.5071 0.8599 0.9980 -0.0073 0.0630 369 426 A Q H X S+ 0 0 4 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.000 109.9 50.4 -64.2 -35.3 -15.2 2.8 22.6 -16.2 3.2 21.5 0 0.0 0 0.0 0 0.0 0 0.0 0 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0.000 117.5 39.4 -57.9 -43.4 -16.4 1.7 31.2 -16.1 0.2 31.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3915 -0.0480 0.9189 -0.6987 0.6343 0.3308 -0.5987 -0.7716 0.2148 375 432 A Q H < S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.000 129.0 26.1 -78.3 -29.2 -13.2 3.1 32.6 -11.8 2.9 31.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3743 0.7874 0.4898 -0.5403 -0.2440 0.8053 0.7536 -0.5660 0.3341 376 433 A N H X S+ 0 0 15 -4,-1.9 4,-2.3 -5,-0.2 3,-0.3 0.000 90.5 89.8-117.9 -13.3 -13.9 6.9 32.2 -13.2 7.5 31.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5015 0.8520 0.1502 0.0885 -0.1222 0.9886 0.8606 0.5090 -0.0141 377 434 A A H X S+ 0 0 15 -4,-2.2 4,-1.9 -5,-0.2 5,-0.1 0.000 88.6 54.0 -61.5 -33.8 -17.6 7.6 32.3 -18.7 6.6 31.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6473 0.5061 0.5699 0.4458 0.8579 -0.2555 -0.6183 0.0887 -0.7809 378 435 A Q H > S+ 0 0 153 -4,-0.3 4,-1.6 -5,-0.2 -1,-0.2 0.000 112.3 42.8 -70.2 -40.9 -17.8 8.0 36.1 -17.4 6.9 37.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1900 0.7067 0.6815 -0.7577 0.5470 -0.3559 -0.6243 -0.4488 0.6394 379 436 A L H > S+ 0 0 28 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.000 112.7 53.8 -68.5 -40.3 -15.0 10.6 36.1 -13.5 10.4 35.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0711 0.9538 -0.2920 -0.6385 0.2684 0.7213 0.7663 0.1352 0.6281 380 437 A F H < S+ 0 0 14 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.000 107.7 50.5 -63.2 -37.6 -16.5 12.4 33.1 -16.7 11.8 31.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7406 0.6488 -0.1749 0.5083 0.7112 0.4857 0.4395 0.2709 -0.8564 381 438 A A H < S+ 0 0 85 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.000 108.1 52.2 -64.9 -46.9 -19.9 12.6 34.8 -20.7 11.4 35.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4091 0.5914 0.6950 -0.0038 0.7605 -0.6493 -0.9125 -0.2682 -0.3088 382 439 A T H < 0 0 86 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.000 360.0 360.0 -55.4 -41.9 -18.3 14.1 38.0 -17.2 13.5 38.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3354 0.9060 0.2583 -0.9413 0.3331 0.0543 -0.0369 -0.2613 0.9645 383 440 A V < 0 0 51 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.000 360.0 360.0 -71.0 360.0 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0.8231 0.0422 0.9749 -0.2184 -0.8477 -0.0808 -0.5243 393 67 B I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.000 104.3 54.9 -68.4 -37.6 -10.8 0.9 8.0 -9.7 0.1 8.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2377 0.7680 0.5947 -0.9627 0.2677 0.0391 -0.1291 -0.5818 0.8030 394 68 B V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.000 107.3 50.1 -59.7 -42.5 -9.3 4.3 7.0 -8.3 4.7 5.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3941 0.9143 -0.0941 -0.1308 0.0455 0.9904 0.9097 0.4026 0.1016 395 69 B H H X S+ 0 0 89 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.000 108.4 52.5 -63.1 -35.9 -12.8 5.4 5.8 -13.5 4.8 4.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8552 0.2531 0.4522 0.4242 0.8432 0.3303 -0.2977 0.4743 -0.8285 396 70 B Q H X S+ 0 0 16 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.000 109.4 50.2 -62.0 -44.5 -14.2 4.2 9.2 -14.1 2.8 9.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0458 0.4002 0.9153 -0.6666 0.6701 -0.3264 -0.7440 -0.6251 0.2361 397 71 B T H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.000 109.2 50.4 -60.1 -45.6 -11.6 6.3 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0.7269 0.1690 -0.6656 457 135 B A T 3 S+ 0 0 8 -18,-2.5 9,-0.2 1,-0.3 -17,-0.1 0.000 110.0 48.5 -66.1 -16.0 12.5 22.5 29.1 12.6 21.5 28.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1898 -0.6736 0.7143 -0.6462 0.4620 0.6074 -0.7392 -0.5769 -0.3476 458 136 B D T 3 S+ 0 0 118 -19,-0.3 2,-0.3 8,-0.1 -1,-0.3 0.000 94.7 95.4-103.2 3.4 15.3 22.5 31.6 16.8 22.4 31.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2954 0.2652 0.9178 -0.7574 -0.5205 0.3941 0.5823 -0.8116 0.0471 459 137 B K S <> S- 0 0 96 -3,-1.8 4,-1.6 4,-0.1 5,-0.1 0.000 74.7 -2.6-101.5 149.0 14.1 25.5 33.7 14.0 26.9 33.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5350 0.3284 0.7784 0.5758 -0.5324 0.6204 0.6182 0.7801 0.0957 460 138 B G H > S- 0 0 23 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.000 99.2 -58.5 73.5 179.1 12.1 25.7 36.9 10.8 26.3 36.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5388 -0.5661 0.6239 0.6729 0.1564 0.7230 -0.5069 0.8094 0.2966 461 139 B I H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.000 136.7 59.0 -63.0 -35.6 10.3 23.0 38.9 9.3 23.2 40.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4511 -0.8621 -0.2309 0.8866 -0.4033 -0.2264 0.1021 -0.3068 0.9463 462 140 B A H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.000 106.5 46.9 -59.8 -43.6 8.4 22.1 35.7 7.7 23.1 34.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1839 -0.5863 -0.7889 -0.0949 -0.8095 0.5794 -0.9783 -0.0317 -0.2045 463 141 B G H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.000 109.1 54.8 -63.2 -43.2 11.7 21.5 34.0 12.8 22.5 33.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6983 -0.7150 0.0355 -0.6209 -0.6295 -0.4672 0.3563 0.3042 -0.8835 464 142 B E H X S+ 0 0 59 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.000 110.4 45.7 -56.9 -43.0 13.0 19.4 36.9 13.0 19.9 38.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1419 -0.9393 0.3124 0.5593 -0.3365 -0.7576 0.8167 0.0673 0.5731 465 143 B V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.000 111.2 52.5 -71.7 -37.5 9.9 17.1 36.8 8.4 17.5 37.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3446 -0.7303 -0.5898 0.7623 -0.5844 0.2782 -0.5479 -0.3537 0.7581 466 144 B A H < S+ 0 0 13 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.000 118.2 38.2 -62.3 -35.6 10.2 16.8 33.0 10.2 18.0 32.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5834 -0.5325 -0.6133 -0.4782 -0.8355 0.2707 -0.6565 0.1353 -0.7421 467 145 B T H < S+ 0 0 79 -4,-2.1 -2,-0.2 -10,-0.1 -3,-0.2 0.000 128.7 26.5 -82.0 -51.3 13.9 15.7 33.4 15.0 16.7 33.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5624 -0.7717 0.2970 -0.3668 -0.5548 -0.7468 0.7411 0.3111 -0.5950 468 146 B F H < S- 0 0 143 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.000 89.6-140.5 -97.8 -14.0 13.9 13.5 36.5 14.4 14.2 37.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3872 -0.7732 0.5022 0.2380 -0.6101 -0.7558 0.8907 -0.1731 0.4203 469 147 B K < + 0 0 84 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.1 0.000 56.6 122.7 62.3 32.4 10.3 12.3 36.4 10.4 11.1 35.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6712 -0.4990 0.5482 -0.5145 0.8460 0.1401 -0.5337 -0.1880 -0.8245 470 148 B Q - 0 0 143 -6,-0.3 -1,-0.2 34,-0.1 -2,-0.1 0.000 67.5 -97.5-118.9 154.7 9.5 12.5 40.1 10.7 12.3 41.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5709 0.3894 0.7228 -0.8013 -0.4563 -0.3870 0.1791 -0.8001 0.5725 471 149 B V - 0 0 53 -2,-0.3 2,-0.5 33,-0.1 33,-0.2 0.000 33.2-157.7 -63.8 139.4 6.9 14.4 42.1 5.9 13.7 43.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0090 0.8173 0.5762 0.0972 0.5742 -0.8129 -0.9952 0.0487 -0.0846 472 150 B V E -O 505 0D 12 31,-2.5 31,-2.8 -2,-0.1 2,-0.6 0.000 8.4-172.8-123.8 120.0 7.9 17.7 43.6 8.7 18.7 42.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2120 0.7255 0.6548 0.0739 -0.6562 0.7509 0.9745 0.2075 0.0855 473 151 B N E -O 504 0D 62 -2,-0.5 29,-0.2 29,-0.2 -2,-0.0 0.000 9.5-161.4-109.5 113.4 6.0 19.1 46.6 5.4 18.2 47.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0390 0.7729 0.6333 -0.2178 0.6120 -0.7603 -0.9752 -0.1676 0.1445 474 152 B I E -O 503 0D 2 27,-2.8 27,-1.7 -2,-0.6 68,-0.3 0.000 8.2-150.7 -97.3 118.9 7.2 22.6 47.4 7.3 23.7 46.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0561 0.7044 0.7076 0.4862 -0.5998 0.6355 0.8720 0.3797 -0.3089 475 153 B P - 0 0 88 0, 0.0 2,-0.2 0, 0.0 65,-0.1 0.000 42.8 -44.8 -78.1 166.1 6.2 23.8 51.0 7.0 23.2 52.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2329 0.8593 0.4554 -0.8621 0.0342 -0.5055 -0.4500 -0.5103 0.7329 476 154 B F S S+ 0 0 98 63,-0.5 24,-0.1 1,-0.2 23,-0.1 0.000 120.4 36.4 -65.9 132.2 5.6 27.4 52.0 4.4 27.9 52.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5870 0.7240 0.3624 0.4336 0.0969 -0.8959 -0.6837 0.6830 -0.2570 477 155 B D > + 0 0 21 22,-0.4 3,-1.6 -2,-0.2 4,-0.4 0.000 59.7 178.1-109.0 129.4 7.4 29.6 51.1 7.7 31.1 51.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2646 0.2094 -0.9414 -0.6887 -0.6423 -0.3364 -0.6751 0.7373 -0.0257 478 156 B F G > S+ 0 0 2 21,-2.1 3,-1.5 1,-0.3 6,-0.3 0.000 82.4 62.0 -50.4 -39.9 8.5 28.7 47.5 7.5 28.7 46.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7709 0.2128 -0.6004 0.5873 -0.6025 0.5405 -0.2467 -0.7692 -0.5894 479 157 B Y G 3 S+ 0 0 35 19,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.000 93.1 63.1 -68.3 -20.8 10.6 31.9 47.1 10.0 33.3 47.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9103 0.3487 0.2232 0.4074 -0.6585 -0.6327 -0.0737 0.6669 -0.7415 480 158 B H G < S+ 0 0 154 -3,-1.6 -1,-0.3 3,-0.0 -2,-0.2 0.000 88.2 87.8 -74.0 -18.3 12.9 30.8 50.0 12.4 30.5 51.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8156 -0.5657 0.1218 0.5330 0.6525 -0.5387 0.2253 0.5043 0.8336 481 159 B D S X S- 0 0 42 -3,-1.5 3,-1.7 -4,-0.4 4,-0.1 0.000 79.7-137.8 -80.7 129.5 13.9 27.8 47.9 13.0 26.8 47.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6340 -0.1936 -0.7487 0.7733 0.1468 0.6168 -0.0095 -0.9700 0.2428 482 160 B P G > S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.000 100.7 67.9 -52.2 -35.5 16.9 28.5 45.5 18.2 27.7 45.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1271 0.0098 -0.9918 -0.4458 0.8938 -0.0483 0.8860 0.4484 0.1180 483 161 B R G 3 S+ 0 0 102 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.000 87.2 70.9 -61.2 -12.9 15.1 26.5 42.7 14.5 25.2 42.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6584 0.1896 -0.7284 0.6958 0.5223 -0.4930 0.2870 -0.8314 -0.4758 484 162 B S G <> + 0 0 0 -3,-1.7 4,-2.5 -6,-0.3 -1,-0.2 0.000 64.9 98.4 -84.5 -5.0 12.5 29.3 42.6 11.8 29.8 43.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2523 0.8510 -0.4606 -0.1097 -0.4981 -0.8602 -0.9614 -0.1665 0.2190 485 163 B I H <> S+ 0 0 95 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.000 83.7 49.3 -54.8 -44.8 14.7 32.0 41.0 16.3 32.0 40.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0627 0.5939 -0.8021 -0.7610 0.4915 0.4234 0.6457 0.6370 0.4212 486 164 B F H > S+ 0 0 44 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.000 112.6 47.3 -60.5 -46.0 13.4 31.3 37.5 13.5 30.0 36.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8304 0.2400 -0.5029 0.2808 0.9597 -0.0057 0.4813 -0.1460 -0.8643 487 165 B A H > S+ 0 0 29 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.000 107.3 57.2 -63.4 -36.9 9.8 31.5 38.7 9.1 30.5 39.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6285 0.7210 0.2919 -0.0297 0.3528 -0.9352 -0.7773 -0.5964 -0.2003 488 166 B Q H X S+ 0 0 64 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.000 109.2 46.2 -62.4 -37.4 10.5 34.8 40.6 11.6 35.0 41.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0531 0.9715 -0.2308 -0.9892 0.0195 -0.1452 -0.1366 0.2361 0.9621 489 167 B K H X S+ 0 0 136 -4,-1.7 4,-0.7 -5,-0.2 3,-0.4 0.000 110.8 51.0 -72.1 -42.0 11.7 36.3 37.3 13.0 35.9 36.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4040 0.3466 -0.8465 -0.4230 0.7497 0.5089 0.8111 0.5637 -0.1563 490 168 B Q H >X S+ 0 0 67 -4,-2.2 4,-2.3 1,-0.2 3,-0.8 0.000 104.5 62.0 -60.6 -33.0 8.7 35.1 35.4 8.2 33.6 35.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9584 0.2815 -0.0475 0.2678 0.8290 -0.4909 -0.0988 -0.4832 -0.8699 491 169 B E H 3X S+ 0 0 40 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.000 92.1 61.6 -63.2 -37.5 6.5 36.6 38.2 6.7 36.4 39.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4270 0.8777 0.2177 -0.6522 -0.1321 -0.7465 -0.6264 -0.4607 0.6288 492 170 B K H 3< S+ 0 0 175 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.000 113.1 39.6 -60.7 -27.4 7.7 40.1 37.5 9.2 40.6 37.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2805 0.7207 -0.6339 -0.8526 0.1163 0.5095 0.4409 0.6834 0.5819 493 171 B I H << S+ 0 0 142 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.000 124.8 32.5 -86.3 -48.5 6.2 39.6 34.0 6.9 38.8 32.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8892 -0.0675 -0.4524 -0.2121 0.9371 0.2771 0.4053 0.3424 -0.8477 494 172 B T H < S- 0 0 98 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.000 91.3-136.8 -83.3 -26.1 2.9 37.7 34.8 2.8 36.2 34.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8770 0.0817 0.4735 -0.2429 0.7749 -0.5835 -0.4147 -0.6267 -0.6597 495 173 B G < + 0 0 59 -4,-2.8 2,-0.4 1,-0.3 -4,-0.1 0.000 59.9 130.7 79.1 4.1 2.2 39.3 38.2 1.1 40.2 37.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4875 -0.2089 0.8477 0.8718 -0.0642 0.4856 -0.0470 0.9758 0.2135 496 174 B Y - 0 0 27 -6,-0.2 2,-0.5 -5,-0.1 -1,-0.3 0.000 46.5-149.9 -92.6 135.7 1.3 35.9 39.7 0.8 34.7 38.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2191 -0.6154 0.7572 -0.3110 0.6916 0.6520 -0.9248 -0.3783 -0.0399 497 175 B R - 0 0 49 -2,-0.4 2,-0.6 -3,-0.1 -9,-0.1 0.000 3.7-155.4-111.6 119.8 2.9 34.9 43.0 2.7 35.9 44.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2871 -0.7225 0.6289 0.6321 -0.3504 -0.6912 0.7198 0.5960 0.3561 498 176 B T + 0 0 13 -2,-0.5 -19,-0.3 1,-0.2 3,-0.1 0.000 23.4 162.1 -97.5 122.1 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0.000 42.8-176.1-106.0 150.1 8.4 3.3 -15.5 9.2 3.8 -14.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7424 0.2240 -0.6314 -0.6696 0.2785 -0.6885 0.0216 0.9340 0.3567 591 269 B S + 0 0 118 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.000 55.9 112.0-123.1 20.1 10.7 3.5 -18.5 10.1 3.6 -19.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8856 0.2928 -0.3605 0.4632 -0.6127 0.6403 -0.0334 -0.7341 -0.6782 592 270 B L - 0 0 74 1,-0.1 -2,-0.1 2,-0.1 168,-0.1 0.000 64.8-124.5 -94.4 147.7 13.1 6.1 -16.9 12.6 7.2 -16.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9185 0.1152 0.3782 0.3939 -0.1843 -0.9005 -0.0340 0.9761 -0.2147 593 271 B D > - 0 0 91 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 0.000 41.0 -88.6 -76.6 179.9 16.7 5.4 -15.8 18.0 5.7 -16.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5100 0.0532 0.8585 -0.5471 -0.7502 0.3715 0.6638 -0.6591 -0.3534 594 272 B L H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.000 125.1 51.2 -60.0 -48.3 17.9 6.1 -12.3 19.1 5.5 -11.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0481 0.7856 0.6168 -0.9981 0.0147 0.0591 0.0374 -0.6185 0.7849 595 273 B E H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.000 114.2 42.9 -57.5 -45.6 18.9 9.7 -12.9 19.9 10.2 -13.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4768 0.8761 -0.0710 -0.2015 -0.0303 0.9790 0.8556 0.4811 0.1910 596 274 B D H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.000 111.0 56.4 -73.9 -27.9 15.5 10.6 -14.5 15.1 10.2 -15.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9567 0.1070 0.2709 0.2492 0.7819 0.5715 -0.1506 0.6142 -0.7746 597 275 B T H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.000 108.8 46.5 -66.6 -45.3 13.6 8.7 -11.8 13.8 7.2 -11.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3395 0.2057 0.9178 -0.6808 0.6195 -0.3907 -0.6490 -0.7575 -0.0703 598 276 B L H X S+ 0 0 20 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.000 111.0 52.4 -66.7 -37.0 15.2 10.7 -9.1 16.7 10.7 -8.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0577 0.9306 0.3614 -0.9165 -0.1930 0.3504 0.3959 -0.3110 0.8640 599 277 B K H X S+ 0 0 96 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.000 106.2 54.7 -65.2 -37.9 14.5 14.0 -11.0 15.0 14.3 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