NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.5488 8.3344 117.1018 58.8151 64.1013 173.6880 438 H 4.7656 8.3430 121.7797 54.1136 30.7816 170.6315 439 M 4.9603 8.2614 113.3737 52.8010 34.0036 174.6379 440 C 4.2026 9.3172 122.8086 59.9808 32.5040 174.2167 441 L 4.2953 8.5147 124.6307 55.6848 41.8625 177.6609 442 V 4.0514 7.7675 117.9254 64.3118 32.4057 176.0830 443 C 5.1514 7.6026 110.5061 56.4389 30.4513 174.9660 444 S 4.0190 8.2549 115.3477 58.9740 60.8119 169.8716 445 D 4.6022 7.5301 120.9035 53.6800 42.7547 174.5117 446 E 4.4703 8.5954 122.1731 55.8218 29.8229 176.3889 447 A 4.3804 8.7001 129.5271 51.9922 19.2990 176.9042 448 S 4.6155 10.0920 112.9177 56.9862 64.5328 174.6723 449 G 3.7821 7.4305 107.7194 44.4348 0.0000 171.6108 450 C 4.4564 7.8827 121.4079 58.1004 31.5485 172.5694 451 H 4.6523 8.7960 125.2536 55.4010 30.9544 174.3834 452 Y 3.9803 8.9857 121.2084 59.2399 35.5067 172.6997 453 G 4.0421 8.8853 104.3753 45.4216 0.0000 173.7920 454 V 4.3919 7.7612 119.0805 60.3019 35.6777 173.6962 455 L 4.4717 8.7218 129.3113 56.2598 43.0926 175.6029 456 T 5.2082 8.6823 116.2271 60.1389 73.4611 172.9959 457 C 4.7770 8.5242 116.7449 56.8903 31.5613 174.9477 458 G 3.5688 8.6239 106.1961 47.8163 0.0000 175.9766 459 S 4.1762 8.0105 116.4549 61.5704 63.1367 176.1656 460 C 4.3376 8.1600 120.3093 62.0727 27.8440 175.7223 461 K 4.1155 7.9992 121.2263 59.8598 31.7734 179.2604 462 V 3.9175 8.0410 119.0819 64.3806 31.4021 177.9341 463 F 4.1279 8.8751 122.2330 61.1938 39.2085 176.9053 464 F 4.3458 8.5490 120.3767 61.0485 39.2818 177.0877 465 K 3.5384 8.1355 119.2583 59.5946 32.1253 178.9062 466 R 3.8158 8.1796 118.2516 59.0045 29.7105 178.8995 467 A 3.5848 7.7486 120.7307 54.9521 18.1415 179.6363 468 V 3.2887 6.9189 115.0494 66.3447 31.6445 177.9932 469 E 4.0497 7.7649 116.5230 58.9133 29.2762 179.0963 470 G 3.3096 7.6158 104.6008 44.7778 0.0000 173.4883 471 Q 3.1292 7.4518 119.1514 57.0268 26.9611 175.3755 472 H 3.9739 7.5628 113.8743 56.6522 29.6612 175.4690 473 N 3.9767 6.8945 116.3814 53.8935 36.0039 173.7617 474 Y 4.5108 7.0280 114.6751 58.2351 39.1903 176.3203 475 L 4.8041 8.2715 123.4430 53.1366 44.9979 175.9512 476 C 4.3086 8.7664 125.4364 59.5205 32.1437 172.8165 477 A 4.7179 8.5437 126.2039 51.9093 20.9987 177.1968 478 G 3.9733 8.1925 102.9843 45.7678 0.0000 174.4154 479 R 4.5915 8.6711 119.9012 55.4453 31.9685 174.9230 480 N 4.3242 8.6537 112.6544 54.1942 35.8257 174.3638 481 D 4.8140 7.5180 113.2264 52.5199 39.8963 175.2457 482 C 4.1386 8.2883 116.6835 60.9811 28.7306 174.0086 483 I 3.8010 8.2419 124.3543 61.5183 37.4262 176.2991 484 I 4.2821 8.2505 126.5927 59.2142 37.2498 174.0171 485 D 5.8057 7.7241 125.4574 50.2608 42.3175 176.9028 486 K 3.9021 8.6667 118.8967 60.0554 32.2773 178.9371 487 I 3.8330 7.7213 116.7017 63.0764 38.2845 176.2304 488 R 4.6240 7.9850 118.0094 55.7073 30.7317 177.5251 489 R 3.9854 7.6319 116.1887 58.4037 29.5725 178.0671 490 K 4.0754 7.8188 117.0917 58.5691 32.4730 177.9035 491 N 4.3482 7.8216 116.3571 55.6790 38.6404 175.0726 492 C 4.4834 7.5543 117.2265 56.2649 33.4978 172.1708 493 P 4.0530 0.0000 0.0000 64.8337 30.8174 178.4203 494 A 4.2818 7.8604 119.4736 55.6681 18.4511 179.3841 495 C 4.1726 8.0497 114.7673 62.6854 28.1835 176.2013 496 R 3.8111 8.2173 120.6501 59.4055 29.6557 177.9011 497 Y 4.6009 8.5923 119.5639 61.1073 38.8916 177.8005 498 R 3.8270 8.4216 119.7123 59.5833 30.0750 178.3034 499 K 3.9392 8.2526 119.2731 59.4324 32.1801 178.4817 500 C 3.9991 8.4454 117.5191 62.8777 28.0558 176.2547 501 L 3.8670 7.7422 120.3086 57.9248 41.0280 179.6329 502 Q 4.0060 8.0939 116.6304 58.5129 28.6933 178.0562 503 A 4.2033 7.8041 120.4534 53.0724 18.4665 178.1655 504 G 3.9284 7.6941 105.6753 45.4814 0.0000 173.8764 505 M 4.2626 7.3514 118.7138 55.1876 32.3316 175.5664 506 N 4.9956 8.1403 118.0835 52.7173 42.3561 174.8835 507 L 4.2001 8.7593 124.1942 56.7103 42.1604 177.5600 508 E 4.5558 8.2841 119.0024 54.5779 28.4772 175.2861 509 A 4.2819 8.2587 125.6323 51.0602 17.3391 178.9248 510 R 4.1528 8.2302 118.4916 56.5879 29.2980 176.0345 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 437 S 8.33 4.55 0.00 3.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 H 8.34 4.77 0.00 3.22 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.26 4.96 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 440 C 9.32 4.20 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 441 L 8.51 4.30 0.00 1.79 1.66 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.77 4.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 443 C 7.60 5.15 0.00 3.23 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 S 8.25 4.02 0.00 4.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 445 D 7.53 4.60 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 E 8.60 4.47 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 447 A 8.70 4.38 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 S 10.09 4.62 0.00 3.83 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 G 7.43 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 C 7.88 4.46 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 H 8.80 4.65 0.00 3.13 2.87 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 8.99 3.98 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 G 8.89 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 V 7.76 4.39 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 455 L 8.72 4.47 0.00 1.77 1.54 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.68 5.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 457 C 8.52 4.78 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 G 8.62 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 S 8.01 4.18 0.00 4.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 C 8.16 4.34 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 K 8.00 4.12 0.00 1.78 2.02 0.00 1.34 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.45 7.81 462 V 8.04 3.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 463 F 8.88 4.13 0.00 3.27 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 F 8.55 4.35 0.00 3.47 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 K 8.14 3.54 0.00 1.97 2.00 0.00 1.45 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.48 7.81 466 R 8.18 3.82 0.00 2.00 1.88 0.00 3.37 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 467 A 7.75 3.58 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 468 V 6.92 3.29 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.34 0.00 0.00 469 E 7.76 4.05 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 470 G 7.62 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 471 Q 7.45 3.13 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.78 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 472 H 7.56 3.97 0.00 2.09 3.07 0.00 6.04 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 6.89 3.98 0.00 2.90 2.77 0.00 0.00 6.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 Y 7.03 4.51 0.00 3.05 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 L 8.27 4.80 0.00 1.58 1.55 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.77 4.31 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 477 A 8.54 4.72 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 G 8.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 479 R 8.67 4.59 0.00 2.02 1.86 0.00 3.28 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 480 N 8.65 4.32 0.00 2.89 2.93 0.00 0.00 6.86 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 481 D 7.52 4.81 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 C 8.29 4.14 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 I 8.24 3.80 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 0.93 0.00 0.00 484 I 8.25 4.28 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.83 0.00 0.00 485 D 7.72 5.81 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 486 K 8.67 3.90 0.00 1.70 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.47 7.81 487 I 7.72 3.83 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.97 0.00 0.00 488 R 7.99 4.62 0.00 2.04 1.82 0.00 3.16 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 489 R 7.63 3.99 0.00 1.75 2.11 0.00 2.99 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 0.00 490 K 7.82 4.08 0.00 1.73 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.42 7.81 491 N 7.82 4.35 0.00 2.80 2.85 0.00 0.00 6.65 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 492 C 7.55 4.48 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 P 0.00 4.05 0.00 0.98 1.20 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 494 A 7.86 4.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 C 8.05 4.17 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 496 R 8.22 3.81 0.00 1.70 1.56 0.00 2.60 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.00 497 Y 8.59 4.60 0.00 3.68 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 498 R 8.42 3.83 0.00 2.07 2.22 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 499 K 8.25 3.94 0.00 2.02 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 500 C 8.45 4.00 0.00 3.30 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 L 7.74 3.87 0.00 1.69 1.62 0.69 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.09 4.01 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 503 A 7.80 4.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 G 7.69 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 M 7.35 4.26 0.00 0.82 1.09 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 506 N 8.14 5.00 0.00 2.69 2.70 0.00 0.00 7.20 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 L 8.76 4.20 0.00 1.64 1.72 0.23 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.28 4.56 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 509 A 8.26 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 R 8.23 4.15 0.00 1.84 1.74 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00