NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.5343 8.3193 116.7931 58.6252 64.1706 175.1331 438 H 4.8862 8.2391 120.0295 55.7445 27.7765 170.6154 439 M 5.2469 8.1390 117.3877 54.2674 35.6218 177.5111 440 C 4.3702 9.2545 124.3546 59.8828 32.3294 174.5379 441 L 4.2079 9.3076 125.9706 56.4572 41.7070 177.7795 442 V 4.1244 7.8387 117.1755 64.1554 32.7559 175.9795 443 C 4.8178 7.6441 110.6745 56.3555 30.6949 174.5430 444 S 3.7000 8.0759 115.3008 59.5920 60.3597 170.3605 445 D 4.6588 7.6511 121.0932 53.4981 43.1839 174.5924 446 E 4.6631 8.6349 119.4383 55.8299 29.5728 177.0857 447 A 4.2672 8.4035 128.5540 51.8247 18.4856 177.3508 448 S 4.3446 8.5453 118.1420 60.8483 64.6330 174.2841 449 G 3.9130 7.2757 114.1790 44.5818 0.0000 174.4462 450 C 5.1433 8.6777 125.4584 57.3127 33.6305 172.3732 451 H 4.4952 9.2400 124.0770 55.3160 31.7682 173.1658 452 Y 3.9102 8.5542 120.1825 58.6289 35.3666 169.5282 453 G 4.1003 8.0930 108.2206 43.7695 0.0000 172.7545 454 V 4.4452 8.9594 125.5494 60.3279 36.0820 174.6792 455 L 5.2748 8.8810 124.6783 55.0028 41.0682 175.9146 456 T 5.0655 8.1592 113.2976 59.2773 72.9060 173.6408 457 C 4.5979 8.5717 117.8791 57.7155 31.0715 174.6263 458 G 3.6032 8.5015 105.3976 47.4709 0.0000 176.1330 459 S 4.1830 8.0206 117.0309 62.0137 62.9374 176.3029 460 C 4.3990 8.1224 118.7987 62.9475 27.9727 175.3324 461 K 4.1207 8.0252 121.4497 60.1656 31.6744 179.0693 462 V 3.7944 8.1898 118.5597 64.6084 31.3929 177.8914 463 F 4.0826 8.8754 121.8219 61.1889 39.1979 176.7550 464 F 3.9872 8.8147 120.3183 61.2317 39.1081 176.6697 465 K 3.4862 7.8477 118.5744 59.7759 31.9988 178.8296 466 R 3.6932 7.7688 117.7664 59.0496 29.6972 178.9235 467 A 3.5560 7.3041 120.0262 54.6706 18.2195 179.5359 468 V 3.5003 6.7620 115.7101 65.7779 31.7479 177.6423 469 E 3.9904 7.9255 118.3102 59.1939 29.8924 177.8398 470 G 3.6715 7.3694 106.0809 45.1934 0.0000 172.0501 471 Q 3.9861 8.1380 114.5067 57.0447 31.4712 171.7244 472 H 4.0026 9.9543 124.7074 56.1671 27.4186 174.0595 473 N 4.6335 8.0695 121.7227 51.9081 41.4867 172.7176 474 Y 5.0161 8.3258 123.0702 56.4078 39.9460 174.9320 475 L 4.7358 8.2049 124.3515 53.4372 45.3462 175.2403 476 C 4.2992 8.7475 125.6280 59.3878 32.1557 172.8497 477 A 4.6947 8.5919 127.0413 51.8471 21.1304 177.0937 478 G 3.8020 8.4233 103.2812 45.5872 0.0000 174.8068 479 R 4.5321 8.6571 117.8738 55.7133 32.7783 175.6628 480 N 4.2709 8.6117 112.4975 53.9604 36.3749 174.0650 481 D 4.9552 7.3921 114.4446 53.4486 41.3117 175.8873 482 C 4.2772 7.7910 116.7994 59.3187 29.2949 174.3404 483 I 3.6340 8.3109 124.5501 61.8062 36.5615 175.6933 484 I 4.2830 8.2932 127.5238 59.5555 38.0738 174.6096 485 D 5.5115 7.9792 123.7143 51.0140 42.3810 175.4101 486 K 3.7313 8.7654 119.1204 59.3760 32.0147 177.3136 487 I 4.1133 8.1007 117.2645 61.9103 38.7526 176.3441 488 R 4.3353 7.9763 118.1033 56.7994 30.7854 178.2755 489 R 3.8956 7.9804 114.5107 58.6714 29.3579 178.0143 490 K 4.0035 7.9080 118.9741 59.2160 32.4427 177.5531 491 N 4.4159 8.2387 116.2763 55.8776 38.6816 175.2350 492 C 4.5294 7.4632 117.3605 56.5026 32.7154 172.0225 493 P 4.0272 0.0000 0.0000 64.1022 30.9877 177.9568 494 A 4.1802 7.8142 119.8418 55.6374 18.4102 179.3418 495 C 4.1344 8.0071 114.7001 62.6008 28.2204 176.1403 496 R 3.7851 8.1009 120.5009 59.5184 29.6656 177.5828 497 Y 4.7890 8.4822 119.6755 61.2004 38.7164 178.0655 498 R 3.7935 8.3463 119.4196 59.6825 30.1393 178.5232 499 K 3.9707 8.2892 117.9919 59.5175 32.0255 179.0321 500 C 4.1337 8.4161 117.1192 62.9153 28.0657 176.2444 501 L 4.0060 8.0608 120.3755 58.0515 41.0355 179.7115 502 Q 4.0295 8.1602 116.2352 58.1241 28.6561 177.4904 503 A 4.4156 7.8667 120.1573 51.4074 19.0157 176.9121 504 G 3.6776 8.2374 105.9121 47.2106 0.0000 174.4893 505 M 4.3396 7.5420 117.7708 54.6618 33.0193 176.1144 506 N 4.8185 9.1001 117.9507 52.7756 42.4964 175.1476 507 L 4.2833 8.9194 126.6130 56.4954 42.3067 176.2892 508 E 4.5779 8.0971 116.3523 55.6183 31.2228 174.7321 509 A 4.6784 8.6255 125.5956 51.7417 21.2864 176.1661 510 R 4.1936 8.0019 118.8982 56.3671 30.3210 176.2699 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 8.32 4.53 0.00 3.82 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.89 0.00 3.29 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.14 5.25 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 440 C 9.25 4.37 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 9.31 4.21 0.00 1.62 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.84 4.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 443 C 7.64 4.82 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 444 S 8.08 3.70 0.00 4.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.66 0.00 2.80 2.57 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 0.00 446 E 8.63 4.66 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 447 A 8.40 4.27 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 448 S 8.55 4.34 0.00 4.14 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 0.00 449 G 7.28 3.91 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 0.00 0.00 0.00 450 C 8.68 5.14 0.00 2.83 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 0.00 451 H 9.24 4.50 0.00 3.14 3.00 0.00 5.82 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 8.55 3.91 0.00 3.03 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 0.00 453 G 8.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.45 2.06 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 0.95 0.00 0.00 0.93 0.00 0.00 455 L 8.88 5.27 0.00 1.69 1.64 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.16 5.07 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 8.57 4.60 0.00 3.14 3.15 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 0.00 458 G 8.50 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.18 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.40 0.00 3.03 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.12 0.00 1.63 1.90 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.61 7.81 462 V 8.19 3.79 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 0.90 0.00 0.00 1.00 0.00 0.00 463 F 8.88 4.08 0.00 3.11 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 3.99 0.00 3.41 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.49 0.00 1.84 1.93 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.39 7.81 466 R 7.77 3.69 0.00 1.87 1.82 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 467 A 7.30 3.56 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.76 3.50 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.13 0.00 0.00 469 E 7.93 3.99 0.00 2.12 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 470 G 7.37 3.67 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 0.00 0.00 0.00 471 Q 8.14 3.99 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 5.46 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 472 H 9.95 4.00 0.00 2.92 2.87 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 8.07 4.63 0.00 2.51 2.58 0.00 0.00 7.16 7.54 0.00 0.00 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 8.33 5.02 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.74 0.00 1.57 1.53 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.75 4.30 0.00 3.01 2.89 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 0.00 0.00 0.00 477 A 8.59 4.69 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 8.42 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.53 0.00 1.82 1.85 0.00 3.24 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 1.63 0.00 480 N 8.61 4.27 0.00 2.90 2.96 0.00 0.00 6.77 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 7.39 4.96 0.00 2.68 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 0.00 482 C 7.79 4.28 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.63 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 0.33 0.89 0.00 0.00 484 I 8.29 4.28 1.84 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 1.65 1.17 0.83 0.00 0.00 485 D 7.98 5.51 0.00 2.81 2.72 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 0.00 486 K 8.77 3.73 0.00 1.72 1.89 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.44 7.81 487 I 8.10 4.11 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 1.28 0.85 0.96 0.00 0.00 488 R 7.98 4.34 0.00 1.91 1.97 0.00 3.17 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 489 R 7.98 3.90 0.00 1.70 2.08 0.00 2.97 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.45 0.00 490 K 7.91 4.00 0.00 1.69 1.84 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.43 7.81 491 N 8.24 4.42 0.00 2.84 2.84 0.00 0.00 6.72 7.24 0.00 0.00 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 7.46 4.53 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 4.03 0.00 0.49 1.73 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 494 A 7.81 4.18 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 8.01 4.13 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.79 0.00 1.73 1.57 0.00 2.56 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.00 497 Y 8.48 4.79 0.00 3.39 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.79 0.00 1.94 2.11 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 499 K 8.29 3.97 0.00 2.11 1.86 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 500 C 8.42 4.13 0.00 3.57 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.01 0.00 1.70 1.64 0.41 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.16 4.03 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 503 A 7.87 4.42 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.34 0.00 0.73 1.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 506 N 9.10 4.82 0.00 2.72 2.67 0.00 0.00 7.03 5.12 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 0.00 507 L 8.92 4.28 0.00 1.67 1.73 0.50 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.10 4.58 0.00 1.95 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 2.27 2.32 0.00 509 A 8.63 4.68 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 0.00 510 R 8.00 4.19 0.00 1.83 1.85 0.00 3.23 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00