NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 R 4.1327 8.2549 117.2574 54.7918 30.9955 175.1361 502 P 3.9974 0.0000 0.0000 62.2741 31.8652 176.1958 503 D 4.3899 8.4146 121.5845 57.2035 41.6586 178.7186 504 F 4.3346 7.9093 114.5898 59.6966 37.6499 177.7777 505 C 4.6906 7.4658 116.3023 58.9966 40.0017 174.6450 506 L 4.4038 7.8314 119.1331 53.9175 42.0691 176.4591 507 E 4.3501 7.6227 119.4967 54.8926 30.3270 175.0387 508 P 4.3606 0.0000 0.0000 61.4974 32.0773 174.7319 509 P 3.6825 0.0000 0.0000 62.7933 31.3407 175.1365 510 Y 4.6634 7.9877 122.2478 56.0520 39.8231 175.3583 511 T 4.1405 8.2937 125.5062 64.8606 68.8347 176.1018 512 G 3.6491 6.5684 105.2694 44.0319 0.0000 171.3228 513 P 4.3143 0.0000 0.0000 65.0606 32.0894 177.9495 514 C 4.4876 7.8853 116.0500 57.1013 40.6612 173.5304 515 R 4.4946 8.1365 119.4664 55.8196 30.4040 176.2959 516 L 4.3911 7.6912 118.9008 54.7967 43.3978 175.4102 517 R 4.6314 8.3323 118.4148 54.3805 31.4745 173.4899 518 I 4.6100 8.1884 125.6435 58.7988 41.5918 173.9956 519 I 4.4130 8.3171 129.5142 61.0102 37.9741 175.1887 520 R 4.8257 8.4489 124.8420 54.6549 34.7919 173.5952 521 Y 5.6478 9.6067 117.4300 56.7270 41.2916 175.3347 522 F 5.7330 9.5562 116.2506 55.7245 42.2270 172.6760 523 Y 4.4466 9.9241 122.6196 56.7610 40.0831 174.2484 524 N 4.7163 8.1622 126.9676 51.7092 38.1666 174.9675 525 A 3.8696 8.3549 129.4268 54.9515 18.7284 179.0210 526 K 4.0432 7.8862 114.4248 58.6259 31.5019 177.7568 527 A 4.3695 7.9678 119.8398 50.9695 20.0439 177.2228 528 G 3.9680 7.7543 103.3550 45.8170 0.0000 173.5285 529 L 4.8335 6.6660 114.1657 52.6649 46.4812 175.0727 530 C 4.8903 8.7117 119.0557 56.6698 39.6505 172.9361 531 Q 4.8544 8.6973 121.8215 54.2570 33.1484 174.3063 532 T 4.9739 8.3999 110.4563 61.1390 70.7094 173.7274 533 F 4.9991 8.9484 117.1598 55.8062 42.0896 173.0834 534 V 4.1596 8.3957 119.9082 62.2709 32.0401 174.2302 535 Y 4.7190 8.5662 130.3893 56.1543 40.2989 176.3945 536 G 3.8803 8.1905 113.4529 46.0789 0.0000 174.9618 537 G 3.8581 6.3416 107.4009 45.4584 0.0000 172.3836 538 C 4.8931 7.1176 111.8327 54.7243 44.6186 173.0641 539 R 3.7652 8.7624 116.0085 57.1653 27.2178 176.9114 540 A 4.4071 8.1750 118.4520 52.3902 19.2306 178.1894 541 K 4.3834 8.3062 120.1567 54.9511 34.0399 177.2221 542 R 3.5810 8.0733 117.6863 58.8749 30.3002 177.3769 543 N 4.9401 7.7880 118.2723 51.6149 36.7732 173.6069 544 N 5.1669 6.8498 117.4514 52.6296 41.9574 173.4736 545 F 5.0866 9.8312 125.1341 55.7381 43.1767 176.3708 546 K 4.5489 9.0984 119.1502 57.7703 32.7698 177.5352 547 S 4.2548 7.6010 112.7731 55.7010 66.9334 174.8138 548 A 3.4288 7.2640 124.5522 54.8647 18.0933 179.5856 549 E 3.7218 7.8337 117.3335 59.6734 29.8307 178.7291 550 D 4.2916 7.9314 118.7395 57.3738 40.8428 177.9825 551 C 2.4500 7.7564 118.8828 59.0435 41.9581 175.6544 552 L 3.8268 8.1088 120.8560 57.8703 40.9501 179.7956 553 R 3.8904 7.7621 117.0517 59.2644 30.0058 178.8115 554 T 4.1826 7.4341 114.4147 65.5721 68.8933 175.5244 555 C 4.6005 7.9909 115.1964 56.2318 41.5747 175.4640 556 G 3.5224 7.9791 110.7210 48.2155 0.0000 175.0792 557 G 3.5499 7.6703 108.2733 44.6653 0.0000 173.1460 558 A 4.0859 8.4401 124.8183 52.2813 18.3683 177.3544 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 501 R 8.25 4.13 0.00 1.61 1.98 0.00 2.94 0.00 0.00 2.73 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 502 P 0.00 4.00 0.00 0.83 1.57 0.00 3.22 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 503 D 8.41 4.39 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.91 4.33 0.00 3.23 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 0.00 505 C 7.47 4.69 0.00 2.94 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 0.00 506 L 7.83 4.40 0.00 1.72 1.76 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 507 E 7.62 4.35 0.00 2.12 1.90 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 2.40 2.46 0.00 508 P 0.00 4.36 0.00 2.00 1.92 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 509 P 0.00 3.68 0.00 0.49 0.49 0.00 3.31 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 510 Y 7.99 4.66 0.00 2.82 2.94 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 0.00 511 T 8.29 4.14 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 512 G 6.57 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 P 0.00 4.31 0.00 2.17 2.20 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 514 C 7.89 4.49 0.00 2.93 2.93 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 0.00 515 R 8.14 4.49 0.00 1.71 1.84 0.00 3.15 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 516 L 7.69 4.39 0.00 1.69 1.73 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 517 R 8.33 4.63 0.00 1.73 1.80 0.00 3.29 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 518 I 8.19 4.61 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.46 1.04 0.00 0.00 519 I 8.32 4.41 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.68 0.00 0.00 520 R 8.45 4.83 0.00 0.87 1.90 0.00 3.42 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 521 Y 9.61 5.65 0.00 3.14 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 0.00 522 F 9.56 5.73 0.00 3.29 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.92 4.45 0.00 3.00 3.02 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 0.00 524 N 8.16 4.72 0.00 2.29 2.45 0.00 0.00 6.64 8.40 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 0.00 525 A 8.35 3.87 1.40 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 0.00 0.00 526 K 7.89 4.04 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 527 A 7.97 4.37 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 G 7.75 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 0.00 529 L 6.67 4.83 0.00 1.41 1.41 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 530 C 8.71 4.89 0.00 2.87 3.10 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 0.00 531 Q 8.70 4.85 0.00 1.55 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 532 T 8.40 4.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 533 F 8.95 5.00 0.00 3.04 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 0.00 534 V 8.40 4.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 535 Y 8.57 4.72 0.00 2.53 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 0.00 536 G 8.19 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 537 G 6.34 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 538 C 7.12 4.89 0.00 3.06 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 0.00 539 R 8.76 3.77 0.00 2.14 2.19 0.00 3.28 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 540 A 8.18 4.41 1.06 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 0.00 0.00 541 K 8.31 4.38 0.00 1.75 1.70 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.59 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.10 1.12 7.81 542 R 8.07 3.58 0.00 1.08 0.66 0.00 2.39 0.00 0.00 2.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.28 0.00 543 N 7.79 4.94 0.00 3.17 2.87 0.00 0.00 6.70 7.79 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 0.00 544 N 6.85 5.17 0.00 2.70 2.49 0.00 0.00 7.08 7.02 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 0.00 545 F 9.83 5.09 0.00 3.19 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 0.00 546 K 9.10 4.55 0.00 1.83 1.93 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.47 7.81 547 S 7.60 4.25 0.00 3.82 3.86 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 0.00 0.00 0.00 548 A 7.26 3.43 1.03 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 0.00 0.00 0.00 0.00 0.00 0.00 549 E 7.83 3.72 0.00 1.95 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 2.32 2.35 0.00 550 D 7.93 4.29 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 C 7.76 2.45 0.00 2.73 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 L 8.11 3.83 0.00 1.75 1.61 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 553 R 7.76 3.89 0.00 1.84 1.95 0.00 3.11 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 554 T 7.43 4.18 4.15 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 1.57 0.00 0.00 555 C 7.99 4.60 0.00 2.63 2.16 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 0.00 556 G 7.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 G 7.67 3.55 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 0.00 0.00 0.00 558 A 8.44 4.09 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00