NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 438 H 4.7434 8.2876 117.8665 55.9672 30.0319 171.5518 439 M 4.7832 8.2992 117.2916 52.8594 33.7752 173.4236 440 C 4.2912 9.4758 121.4708 60.0519 32.9992 175.5621 441 L 4.3734 8.3431 123.4963 55.6635 42.0600 178.4890 442 V 4.0121 7.8329 111.5021 62.8336 32.2936 176.4891 443 C 5.2950 7.5991 110.3922 56.1964 30.6580 175.0065 444 S 3.9001 7.9261 114.7710 59.1274 60.9294 170.6842 445 D 4.6479 7.4842 121.1153 53.5702 43.0536 173.9842 446 E 4.4996 8.6008 120.9407 55.5852 29.8325 176.5818 447 A 4.4143 8.4105 129.7291 51.9357 19.2737 177.1081 448 S 4.5194 8.7898 113.6911 57.8960 63.4509 172.7960 449 G 3.5457 7.7841 106.8690 44.5344 0.0000 172.2395 450 C 4.5981 8.2069 119.5481 58.1770 32.1048 172.4105 451 H 4.6847 8.8567 124.5050 55.3742 31.5975 173.4792 452 Y 3.9423 8.8684 118.7334 59.0645 35.4740 173.2448 453 G 4.0480 9.0730 107.7236 44.8406 0.0000 174.1392 454 V 4.3655 7.9280 119.8497 60.4780 35.4613 173.9994 455 L 4.5540 8.6581 129.2899 55.9425 42.8009 175.4298 456 T 5.1255 8.5343 116.4641 59.8124 73.1093 173.2086 457 C 4.9739 8.5301 117.0425 56.9556 31.5127 174.9249 458 G 3.5511 8.6042 106.1818 47.7073 0.0000 175.7329 459 S 4.2105 8.1376 116.3119 61.8691 62.8636 176.4998 460 C 4.3423 8.1257 119.7611 61.6725 27.8687 175.8019 461 K 4.1793 7.8248 121.8670 59.8978 31.8528 179.3454 462 V 3.7682 8.1476 112.7196 64.1204 31.4154 178.3567 463 F 4.0903 8.6842 120.8527 61.2724 39.2311 176.8820 464 F 4.0779 8.9264 120.5276 61.2072 39.3569 176.6551 465 K 3.4145 8.2545 119.2270 59.6738 31.9229 178.7974 466 R 3.7685 8.4869 118.0883 59.1390 29.7496 178.8833 467 A 3.6039 7.4880 119.7447 55.0341 18.3157 179.5730 468 V 3.4392 7.1162 115.7572 65.3854 31.6055 177.2379 469 E 4.2185 7.7375 117.2921 58.0160 30.2062 177.7858 470 G 4.0042 8.0093 108.0097 45.0106 0.0000 174.7742 471 Q 4.0104 8.4328 119.5738 56.8305 29.8077 176.3085 472 H 3.0483 7.4504 109.9581 55.7804 27.7202 175.1154 473 N 4.3926 6.6386 117.3203 53.3884 37.1143 173.4705 474 Y 4.8317 7.1111 117.9392 56.3302 40.3546 175.2464 475 L 4.7973 8.2233 121.3469 52.7548 44.2019 176.3354 476 C 4.2079 8.7720 123.9017 59.5517 31.9988 172.9166 477 A 4.5826 8.6578 128.4338 52.3938 19.9677 177.5765 478 G 4.2367 7.4229 104.5867 46.0846 0.0000 174.8688 479 R 4.5986 8.4085 119.8580 55.9806 30.6072 175.2957 480 N 4.6355 8.5408 110.4642 54.1576 36.2738 174.5573 481 D 4.8461 7.5988 114.6345 52.6629 39.9398 175.3327 482 C 4.1647 8.2480 116.5619 61.0548 28.7470 173.7694 483 I 3.9250 8.1972 124.0628 61.2148 37.2669 176.4503 484 I 4.2280 8.1996 127.6256 59.5426 36.8194 174.3960 485 D 5.7320 7.6543 126.6014 50.8888 41.8714 177.1934 486 K 3.9288 8.6515 117.8735 60.0332 32.0844 179.7581 487 I 3.9303 7.6387 119.5175 64.3886 37.4668 178.2447 488 R 4.2297 9.0178 119.4088 57.5410 29.6287 179.1432 489 R 3.7198 7.5483 118.2677 59.2723 30.1339 177.9722 490 K 4.0402 7.4760 117.2885 58.7334 32.5742 178.2690 491 N 4.6786 8.0595 117.1546 55.0177 39.1106 174.2384 492 C 4.8247 7.5334 123.2595 55.8576 32.3848 172.0168 493 P 4.0345 0.0000 0.0000 64.6520 30.8344 177.9789 494 A 4.3323 7.8702 119.4729 55.7223 18.5148 179.3642 495 C 4.2110 8.0871 114.4690 62.7469 28.2318 176.2841 496 R 3.8431 8.0544 120.5750 59.5786 29.5692 178.0191 497 Y 4.5700 8.7528 119.8206 60.6303 38.8322 177.5534 498 R 3.8118 8.2988 119.8373 59.5075 30.1814 178.7130 499 K 4.0730 8.2030 118.1528 59.4681 32.0061 179.1591 500 C 4.0809 8.0201 117.0634 62.7575 28.0998 176.1337 501 L 3.8141 7.8027 120.5604 57.8930 40.9953 179.4192 502 Q 3.9200 8.1751 118.2666 58.9090 29.0626 177.5284 503 A 4.2517 7.8696 119.8036 52.3891 18.7888 177.9444 504 G 4.0191 7.7024 105.2506 45.1650 0.0000 174.1708 505 M 4.5966 7.6318 119.2961 54.7480 31.5138 175.5785 506 N 5.2603 8.1851 118.4049 51.5236 40.2777 175.5226 507 L 4.3753 8.7049 119.8404 57.3340 42.0034 177.4605 508 E 4.6550 7.4278 114.2138 55.9631 29.9898 177.3011 509 A 4.1123 8.6708 126.2186 55.7582 18.6022 179.4377 510 R 4.2575 7.9121 116.6752 56.3628 29.6881 177.8200 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 438 H 8.29 4.74 0.00 3.19 3.34 0.00 5.55 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.30 4.78 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 440 C 9.48 4.29 0.00 3.06 2.86 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 0.00 441 L 8.34 4.37 0.00 1.73 1.68 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.83 4.01 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 0.74 0.00 0.00 0.94 0.00 0.00 443 C 7.60 5.30 0.00 3.01 3.07 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 0.00 0.00 0.00 0.00 444 S 7.93 3.90 0.00 4.05 4.03 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 0.00 445 D 7.48 4.65 0.00 2.80 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 4.50 0.00 2.03 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 2.30 2.32 0.00 447 A 8.41 4.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.52 0.00 3.98 3.96 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 0.00 449 G 7.78 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 0.00 450 C 8.21 4.60 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.68 0.00 3.13 2.82 0.00 5.81 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 8.87 3.94 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 453 G 9.07 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 0.00 0.00 0.00 454 V 7.93 4.37 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 0.94 0.00 0.00 455 L 8.66 4.55 0.00 1.75 1.54 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.53 5.13 4.30 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 1.30 0.00 0.00 457 C 8.53 4.97 0.00 3.16 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 0.00 458 G 8.60 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 0.00 459 S 8.14 4.21 0.00 4.09 4.18 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 0.00 460 C 8.13 4.34 0.00 3.08 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 0.00 461 K 7.82 4.18 0.00 1.70 2.02 0.00 1.52 0.00 0.00 1.15 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.55 7.81 462 V 8.15 3.77 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 0.82 0.00 0.00 1.16 0.00 0.00 463 F 8.68 4.09 0.00 3.16 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.08 0.00 3.37 3.24 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 0.00 465 K 8.25 3.41 0.00 2.03 2.02 0.00 1.40 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.52 7.81 466 R 8.49 3.77 0.00 1.92 1.83 0.00 3.31 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 1.60 1.65 0.00 467 A 7.49 3.60 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.12 3.44 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.16 0.00 0.00 469 E 7.74 4.22 0.00 2.04 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 2.22 2.28 0.00 470 G 8.01 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 0.00 0.00 0.00 0.00 471 Q 8.43 4.01 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.19 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 472 H 7.45 3.05 0.00 2.50 2.75 0.00 5.52 0.00 0.00 0.00 0.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 6.64 4.39 0.00 2.39 2.61 0.00 0.00 6.99 7.42 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 0.00 474 Y 7.11 4.83 0.00 3.08 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.80 0.00 1.63 1.60 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.77 4.21 0.00 2.98 2.87 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 0.00 0.00 0.00 477 A 8.66 4.58 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 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 0.00 0.00 0.00 0.00 479 R 8.41 4.60 0.00 1.85 1.90 0.00 3.29 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 480 N 8.54 4.64 0.00 2.85 2.91 0.00 0.00 6.92 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 7.60 4.85 0.00 2.85 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 8.25 4.16 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 8.20 3.92 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 1.41 0.46 0.90 0.00 0.00 484 I 8.20 4.23 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.82 0.00 0.00 485 D 7.65 5.73 0.00 2.85 2.79 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 0.00 0.00 0.00 486 K 8.65 3.93 0.00 1.76 1.86 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.51 7.81 487 I 7.64 3.93 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 1.63 0.65 0.89 0.00 0.00 488 R 9.02 4.23 0.00 1.94 1.94 0.00 3.15 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 489 R 7.55 3.72 0.00 1.83 1.88 0.00 3.11 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 490 K 7.48 4.04 0.00 1.72 1.78 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 491 N 8.06 4.68 0.00 2.95 2.83 0.00 0.00 6.26 7.14 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 0.00 492 C 7.53 4.82 0.00 2.87 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 0.00 493 P 0.00 4.03 0.00 0.62 1.52 0.00 3.52 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 1.77 1.93 0.00 494 A 7.87 4.33 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.21 0.00 2.99 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 0.00 496 R 8.05 3.84 0.00 1.75 1.77 0.00 2.70 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.34 0.00 497 Y 8.75 4.57 0.00 3.60 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.81 0.00 2.01 2.12 0.00 3.17 0.00 0.00 3.20 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 8.20 4.07 0.00 2.14 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 500 C 8.02 4.08 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.81 0.00 1.78 1.59 0.82 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.18 3.92 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 503 A 7.87 4.25 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 0.00 504 G 7.70 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 0.00 0.00 0.00 505 M 7.63 4.60 0.00 0.85 0.60 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.21 0.00 506 N 8.19 5.26 0.00 2.90 2.91 0.00 0.00 6.27 6.67 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 0.00 507 L 8.70 4.38 0.00 1.70 1.83 0.82 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 508 E 7.43 4.65 0.00 2.00 1.99 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 2.32 2.42 0.00 509 A 8.67 4.11 1.35 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 0.00 0.00 510 R 7.91 4.26 0.00 1.84 1.70 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 1.48 1.17 0.00