NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 451 D 4.5614 8.3644 120.1944 53.8111 41.4263 172.6588 452 V 4.2872 7.8478 121.2510 59.9243 34.0664 173.2954 453 Q 4.5744 8.6112 124.9811 53.9195 33.1157 174.1774 454 V 4.0861 7.9810 119.6754 61.3227 33.6322 175.4322 455 T 4.6820 7.8970 119.2018 59.2858 71.9142 174.0438 456 E 3.9383 8.6595 125.2466 59.4500 29.7259 178.5690 457 D 4.2770 8.1209 117.3945 57.2029 40.9712 178.0146 458 A 3.9273 7.8986 120.8017 55.0926 18.3861 179.6299 459 V 3.9289 7.7275 116.3019 66.4700 31.6558 178.5341 460 R 3.9669 8.3513 118.0396 59.0530 29.8678 178.9195 461 R 4.2733 7.9304 120.0345 59.0707 29.9568 178.2361 462 Y 4.1106 7.4886 115.0169 61.1728 37.6886 178.4965 463 L 4.3746 7.9259 120.4021 57.4683 42.0734 179.3914 464 T 4.2364 8.4794 110.3463 64.5318 68.4462 176.9938 465 R 3.9602 7.7456 119.9384 57.2184 30.5909 176.7405 466 K 4.6481 8.4446 119.3267 53.6004 35.5546 173.2007 467 P 5.3433 0.0000 0.0000 63.1552 31.8973 175.1697 468 M 5.1914 8.7756 121.2694 54.1003 37.2198 173.8888 469 T 5.1313 8.3107 109.9096 60.3637 71.8148 175.7588 470 T 3.7748 9.0177 112.7126 65.1212 68.5913 176.5089 471 K 3.9572 8.0650 120.9077 59.1273 31.8978 178.6804 472 D 4.2929 7.7449 117.0979 57.1770 41.3164 177.9620 473 L 4.0017 8.0992 119.7160 57.7415 41.7655 179.2992 474 L 3.9804 8.0543 120.3094 57.9379 41.7849 178.8265 475 K 3.9236 7.8562 118.8652 59.2729 32.0791 178.4274 476 K 3.7992 7.3355 118.3901 58.4522 31.9188 177.5727 477 F 4.9596 7.6639 115.5132 57.1487 40.4537 176.3476 478 Q 4.1764 8.4971 123.3404 58.9557 28.9357 178.0305 479 T 4.3550 7.1723 103.4158 60.8258 68.8018 174.7697 480 K 4.0698 8.2725 124.0661 59.5247 32.9187 176.8332 481 K 4.3509 7.8542 116.9983 57.7496 34.5349 176.8368 482 T 3.8477 8.2196 108.6772 62.2260 69.0311 174.8799 483 G 3.9323 8.5282 119.7284 44.7044 0.0000 172.8396 484 L 4.6683 7.2460 117.2443 52.5708 44.5133 177.9756 485 S 4.2776 8.2306 116.3093 58.4115 64.1811 175.6433 486 S 4.1534 8.5954 122.5670 61.8451 62.5995 176.7655 487 E 3.9610 8.0760 121.4124 59.2615 29.4696 178.6777 488 Q 3.9985 7.9902 117.6894 59.2234 28.7492 178.6038 489 T 3.8465 8.3517 117.1988 66.7073 68.4469 176.9099 490 V 3.6109 7.6362 120.0338 65.7618 31.5628 177.5274 491 N 4.2294 8.5440 117.3611 56.6055 38.6497 176.9845 492 V 3.5381 7.8939 119.4958 66.2218 31.6477 178.1530 493 L 3.9799 7.7638 118.1780 57.3520 41.2808 179.4797 494 A 3.9789 8.5575 121.3948 55.3444 18.1579 179.6646 495 Q 3.7977 7.9097 115.1865 59.0232 29.0500 179.0638 496 I 3.9100 7.5042 120.8359 64.2382 37.2924 178.4300 497 L 3.9137 8.5278 120.6240 57.7492 41.2723 179.1864 498 K 3.7609 8.3532 119.2402 59.7017 32.0704 177.8176 499 R 4.1621 7.4012 114.8993 57.7335 30.4258 177.3736 500 L 3.9545 8.4221 120.5316 56.5642 42.3940 176.6948 501 N 4.1822 8.1336 114.1293 53.0733 36.1684 171.6469 502 P 4.6484 0.0000 0.0000 63.3879 34.0622 174.9202 503 E 4.9347 8.1804 115.4265 55.0339 32.5281 175.3376 504 R 4.9663 8.4177 117.8006 54.4427 31.8833 175.2916 505 K 4.6170 8.6197 120.5559 54.8648 36.6376 175.7098 506 M 4.8066 8.6868 123.3753 54.5884 32.3252 175.4893 507 I 4.2893 8.8679 125.8574 60.1318 39.5409 176.0000 508 N 4.4497 9.4269 124.7094 54.9958 37.0702 172.9604 509 D 4.5024 8.3523 109.9516 54.7466 38.8668 173.9381 510 K 4.8166 7.6668 115.3804 55.0625 37.3213 175.4465 511 M 4.7444 8.4458 120.0938 55.1471 32.4749 175.0799 512 H 4.9319 8.9980 118.8667 53.9557 33.9983 171.9697 513 F 5.4880 9.6188 119.5941 55.9814 40.9366 175.3493 514 S 5.1104 8.9167 116.7902 56.5930 66.6076 173.1358 515 L 4.8537 8.5684 120.4784 53.0558 44.9339 176.7369 516 K 4.4171 8.3784 121.6998 53.9337 33.2496 175.8794 517 E 4.1031 8.6741 123.1676 56.3278 29.4840 176.6590 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 451 D 8.36 4.56 0.00 2.64 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 0.00 452 V 7.85 4.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.02 0.00 0.00 453 Q 8.61 4.57 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 454 V 7.98 4.09 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 0.72 0.00 0.00 0.34 0.00 0.00 455 T 7.90 4.68 4.21 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 1.22 0.00 0.00 456 E 8.66 3.94 0.00 2.06 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 2.38 2.36 0.00 457 D 8.12 4.28 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 3.93 1.43 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 0.00 0.00 459 V 7.73 3.93 2.24 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 1.05 0.00 0.00 1.03 0.00 0.00 460 R 8.35 3.97 0.00 1.89 1.98 0.00 3.36 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 461 R 7.93 4.27 0.00 1.96 1.75 0.00 3.08 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.40 0.00 462 Y 7.49 4.11 0.00 3.27 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 0.00 463 L 7.93 4.37 0.00 1.78 1.83 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 464 T 8.48 4.24 4.24 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 1.25 0.00 0.00 465 R 7.75 3.96 0.00 2.00 2.04 0.00 3.08 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 466 K 8.44 4.65 0.00 1.76 1.64 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.45 7.81 467 P 0.00 5.34 0.00 2.15 2.09 0.00 3.39 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 468 M 8.78 5.19 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.57 0.00 469 T 8.31 5.13 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 1.01 0.00 0.00 470 T 9.02 3.77 4.26 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 1.20 0.00 0.00 471 K 8.07 3.96 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 472 D 7.74 4.29 0.00 2.64 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 0.00 473 L 8.10 4.00 0.00 1.82 1.65 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 474 L 8.05 3.98 0.00 1.83 1.65 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 475 K 7.86 3.92 0.00 1.90 1.94 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 476 K 7.34 3.80 0.00 1.57 1.05 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.52 1.13 7.81 477 F 7.66 4.96 0.00 3.01 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 0.00 478 Q 8.50 4.18 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 479 T 7.17 4.36 4.25 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 1.22 0.00 0.00 480 K 8.27 4.07 0.00 1.67 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.29 7.81 481 K 7.85 4.35 0.00 1.73 1.80 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.41 7.81 482 T 8.22 3.85 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 1.34 0.00 0.00 483 G 8.53 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 0.00 484 L 7.25 4.67 0.00 1.64 1.58 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 485 S 8.23 4.28 0.00 3.93 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 0.00 486 S 8.60 4.15 0.00 3.90 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 0.00 487 E 8.08 3.96 0.00 2.03 1.93 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 2.37 2.39 0.00 488 Q 7.99 4.00 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 489 T 8.35 3.85 4.26 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 1.30 0.00 0.00 490 V 7.64 3.61 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 0.98 0.00 0.00 0.98 0.00 0.00 491 N 8.54 4.23 0.00 2.98 2.92 0.00 0.00 6.83 7.27 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 0.00 492 V 7.89 3.54 2.04 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 1.01 0.00 0.00 0.94 0.00 0.00 493 L 7.76 3.98 0.00 1.74 1.67 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 494 A 8.56 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 3.80 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 496 I 7.50 3.91 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.89 0.00 0.00 497 L 8.53 3.91 0.00 1.66 1.56 0.82 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 498 K 8.35 3.76 0.00 1.69 1.93 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 499 R 7.40 4.16 0.00 2.10 1.97 0.00 3.22 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 500 L 8.42 3.95 0.00 1.63 1.86 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 501 N 8.13 4.18 0.00 2.97 2.91 0.00 0.00 6.33 7.67 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 0.00 502 P 0.00 4.65 0.00 2.41 2.24 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.05 0.00 503 E 8.18 4.93 0.00 2.05 1.88 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 2.25 2.29 0.00 504 R 8.42 4.97 0.00 1.56 1.68 0.00 2.89 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 505 K 8.62 4.62 0.00 1.67 1.66 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.37 7.81 506 M 8.69 4.81 0.00 1.88 2.03 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 2.54 2.54 0.00 507 I 8.87 4.29 1.60 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.28 0.80 0.00 0.00 508 N 9.43 4.45 0.00 2.80 2.87 0.00 0.00 7.25 8.48 0.00 0.00 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 D 8.35 4.50 0.00 2.87 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 0.00 510 K 7.67 4.82 0.00 1.85 1.60 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.55 7.81 511 M 8.45 4.74 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 512 H 9.00 4.93 0.00 3.07 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 F 9.62 5.49 0.00 3.07 2.97 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 0.00 514 S 8.92 5.11 0.00 3.90 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 0.00 515 L 8.57 4.85 0.00 1.64 1.59 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 516 K 8.38 4.42 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.34 7.81 517 E 8.67 4.10 0.00 1.93 1.84 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 2.29 2.31 0.00