NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 500 M 4.3553 8.2931 118.1873 55.1990 32.0129 174.0704 501 G 3.9822 8.3562 112.8772 42.7032 0.0000 169.8418 502 A 4.5083 8.3973 121.8330 51.5347 20.8489 175.2010 503 T 4.6367 8.0565 112.6888 60.4756 70.4922 173.3032 504 A 4.6661 8.4879 130.4079 50.6796 22.1350 175.6145 505 V 4.4911 7.9153 122.4451 60.1529 33.7810 176.2109 506 S 4.8200 7.8585 110.4087 57.8399 63.2681 173.6616 507 E 4.8492 8.7842 124.6767 55.0354 31.7601 177.5175 508 W 4.3113 9.0080 125.9722 55.2088 27.9458 176.1149 509 T 4.3732 7.4761 111.4560 59.9695 67.4144 173.4921 510 E 4.0657 8.1787 128.0093 55.5418 29.0772 174.4000 511 Y 4.5659 7.4456 123.9351 54.6800 39.6036 175.3869 512 K 4.3207 8.6807 126.4029 54.7510 33.2518 174.7592 513 T 4.5171 8.2215 123.0533 61.5497 70.2520 174.9723 514 A 4.0045 8.8359 129.6206 54.6616 18.5383 177.0303 515 D 4.6604 7.7525 117.0018 52.2258 42.2453 176.3315 516 G 3.9485 8.2471 119.4454 44.7729 0.0000 172.1452 517 K 4.2545 7.2680 117.6340 56.5655 32.7166 178.3829 518 T 3.8814 7.4818 115.6141 63.4219 69.3930 174.3837 519 F 5.0975 8.4555 123.9364 56.3307 39.7829 175.4727 520 Y 4.4695 8.4533 128.0114 56.9661 39.6343 172.7580 521 Y 4.2201 8.1026 128.6476 55.3998 40.4728 174.4539 522 N 4.5717 7.2831 124.5992 51.6974 41.5550 172.6178 523 N 4.8312 8.6287 123.6702 51.4633 41.7735 173.1386 524 R 4.4654 8.5742 121.9378 54.9705 30.8181 175.4981 525 T 4.4640 8.4161 119.7662 61.5458 70.0477 174.2642 526 L 4.4704 8.3151 128.1798 53.7678 43.1279 174.1494 527 E 4.7419 8.5245 124.5167 54.6913 32.4474 175.9242 528 S 4.5676 8.8879 117.1317 57.9669 62.7895 173.8746 529 T 3.1798 7.6499 114.6683 63.0499 64.8114 171.9720 530 W 4.7698 8.1813 120.4335 56.8437 27.8001 176.9411 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 500 M 8.29 4.36 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 501 G 8.36 3.98 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 0.00 0.00 0.00 502 A 8.40 4.51 1.25 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 0.00 0.00 503 T 8.06 4.64 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 504 A 8.49 4.67 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 505 V 7.92 4.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 506 S 7.86 4.82 0.00 4.21 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 0.00 507 E 8.78 4.85 0.00 2.16 2.05 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 2.18 2.33 0.00 508 W 9.01 4.31 0.00 3.44 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 0.00 509 T 7.48 4.37 4.60 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 1.41 0.00 0.00 510 E 8.18 4.07 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 511 Y 7.45 4.57 0.00 2.89 2.83 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 0.00 512 K 8.68 4.32 0.00 1.65 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.32 7.81 513 T 8.22 4.52 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 514 A 8.84 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 D 7.75 4.66 0.00 2.56 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 0.00 516 G 8.25 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 K 7.27 4.25 0.00 1.64 1.63 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.34 7.81 518 T 7.48 3.88 4.20 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 1.20 0.00 0.00 519 F 8.46 5.10 0.00 2.99 2.83 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 0.00 520 Y 8.45 4.47 0.00 2.73 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 0.00 521 Y 8.10 4.22 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 N 7.28 4.57 0.00 2.02 2.23 0.00 0.00 6.86 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 523 N 8.63 4.83 0.00 2.66 2.81 0.00 0.00 7.27 7.71 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 0.00 524 R 8.57 4.47 0.00 1.98 1.94 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 525 T 8.42 4.46 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 1.26 0.00 0.00 526 L 8.32 4.47 0.00 1.57 1.57 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 527 E 8.52 4.74 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 528 S 8.89 4.57 0.00 3.86 3.89 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 0.00 529 T 7.65 3.18 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 0.97 0.00 0.00 530 W 8.18 4.77 0.00 3.46 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00