NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 399 V 4.0371 8.0549 120.3930 62.8889 32.0803 176.1026 400 Q 4.2647 7.6136 117.9844 52.3544 30.5073 173.1951 401 T 4.4190 8.2940 112.8286 61.9670 71.7917 174.0117 402 T 4.6468 7.5419 109.2600 59.7232 72.0482 172.0495 403 S 4.5594 8.3181 115.2462 56.1197 63.8370 173.1103 404 E 3.9555 8.7650 127.7739 56.2840 28.9910 177.5145 405 V 3.7065 8.2208 118.3756 61.5836 30.4464 176.0563 406 D 4.6619 8.2185 125.5676 53.1966 42.3389 175.3547 407 L 4.3649 8.2760 122.0161 54.1297 42.3694 175.8162 408 L 4.3369 8.3076 126.7986 53.5098 42.4279 176.7480 409 D 4.5502 8.6585 123.4222 54.7338 38.7876 173.8742 410 D 4.7447 7.8576 120.9006 54.4073 43.9416 177.8169 411 G 3.7306 7.5254 110.8866 46.7877 0.0000 173.4517 412 Y 4.6428 7.9015 116.7788 55.0705 42.5002 175.6690 413 R 4.3490 8.1805 121.0741 55.6309 30.0575 175.3281 414 W 5.4569 8.5790 125.6029 55.4695 31.9321 175.2342 415 R 4.8523 8.9099 119.2259 55.3593 33.4606 173.4674 416 K 4.6113 9.2160 127.2514 55.5638 32.4228 175.4452 417 Y 4.6889 8.3681 125.0205 58.3379 40.4995 175.1667 418 G 4.0366 6.1407 104.8963 45.8063 0.0000 171.4800 419 Q 4.5495 8.1363 116.8951 55.7835 31.1793 172.4874 420 K 4.7286 7.6630 116.8748 55.8573 36.4527 174.8226 421 V 4.6640 8.2578 118.5597 60.0334 34.0789 175.3578 422 V 4.0060 8.1179 122.6510 61.4111 32.4815 175.0520 423 K 4.1752 8.4872 127.2494 58.8047 31.8570 175.8086 424 G 4.1196 8.9816 113.2789 45.3380 0.0000 172.8407 425 N 4.8499 7.1924 115.6527 50.7035 40.2490 173.5577 426 P 4.2025 0.0000 0.0000 65.4774 31.8666 176.5097 427 Y 4.4226 7.1464 117.2704 56.6899 38.0628 173.5577 428 P 4.5675 0.0000 0.0000 62.6970 31.1885 175.9698 429 R 4.3596 8.3581 119.2104 55.6078 32.1865 175.9929 430 S 4.3843 7.9472 115.5128 56.8672 66.9795 172.6462 431 Y 5.1655 7.4980 119.8515 56.4743 40.8078 174.5194 432 Y 5.3133 8.4690 120.6121 56.3682 42.9675 174.4256 433 K 4.9841 8.8190 115.9640 56.6991 36.2070 174.7912 434 C 4.1931 9.0504 125.2908 58.7708 30.8706 172.1378 435 T 4.5217 7.9210 124.0716 60.6243 64.8917 173.3933 436 T 4.3897 7.8593 122.5367 60.6470 70.9294 172.2054 437 P 4.6711 0.0000 0.0000 63.9659 29.9446 175.2303 438 G 4.0453 8.6731 110.8603 45.2802 0.0000 171.4160 439 C 4.3518 7.9459 120.4710 58.6425 32.7860 173.4853 440 G 4.2650 8.1257 114.2341 43.9971 0.0000 171.9061 441 V 4.1802 7.5545 119.8670 62.2055 33.9784 175.8130 442 R 5.4595 8.7728 124.1896 54.4583 34.4530 174.5169 443 K 5.4541 9.1216 119.6596 55.0338 36.9314 174.6257 444 H 5.4062 8.5646 117.7552 54.3288 31.7983 172.8405 445 V 4.1274 8.7312 124.7466 61.5855 32.2805 173.6196 446 E 4.6716 9.0148 129.6325 54.4813 31.9250 174.6218 447 R 4.9743 8.4833 125.1762 54.6426 31.3950 175.6953 448 A 4.3438 8.6839 127.2368 51.4170 18.9097 178.0560 449 A 4.1677 8.8547 126.3627 54.5727 19.3275 178.3518 450 T 3.9322 8.1320 105.7521 64.4184 68.8758 173.8620 451 D 4.8463 7.7161 120.0675 51.3235 43.0389 174.7402 452 P 4.3615 0.0000 0.0000 65.3052 31.5287 176.8438 453 K 4.5326 7.0066 111.3629 56.3015 34.2666 173.2543 454 A 4.6019 7.8519 128.1195 51.5495 21.6839 177.0246 455 V 4.7939 8.2059 119.8912 61.1144 33.5567 174.1902 456 V 4.2840 8.6159 127.8792 60.6430 33.0569 175.5412 457 T 5.3866 8.4625 120.7038 61.4852 71.9386 174.5295 458 T 4.5818 8.0824 118.9020 62.4038 71.7588 172.4788 459 Y 4.4647 8.8116 124.2977 57.5408 39.4198 175.6520 460 E 4.4411 9.9215 122.9114 58.6188 32.8966 174.0900 461 G 4.3567 8.6589 110.9774 43.5473 0.0000 171.8745 462 K 4.4857 8.1692 121.2455 54.2994 33.9193 176.4175 463 H 4.2686 8.5687 120.6609 56.2645 29.0859 175.3060 464 N 5.0354 8.6809 121.4440 52.7517 39.1211 173.8420 465 H 4.9578 7.7120 111.7886 54.1061 31.7513 172.2784 466 D 4.5730 8.3917 119.4486 53.4344 41.3836 176.7189 467 L 3.8380 8.3211 122.6147 54.2713 41.8435 175.9455 468 P 4.5216 0.0000 0.0000 62.3130 32.6408 176.1886 469 A 4.1432 8.0595 120.0867 52.6468 19.1894 175.9021 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 399 V 8.05 4.04 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 0.99 0.00 0.00 0.93 0.00 0.00 400 Q 7.61 4.26 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 401 T 8.29 4.42 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 1.21 0.00 0.00 402 T 7.54 4.65 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 0.00 403 S 8.32 4.56 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 E 8.76 3.96 0.00 2.01 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 2.32 2.34 0.00 405 V 8.22 3.71 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 0.70 0.00 0.00 0.97 0.00 0.00 406 D 8.22 4.66 0.00 2.67 2.68 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 0.00 407 L 8.28 4.36 0.00 1.70 1.67 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 408 L 8.31 4.34 0.00 1.68 1.60 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 409 D 8.66 4.55 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 410 D 7.86 4.74 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 411 G 7.53 3.73 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 0.00 0.00 0.00 412 Y 7.90 4.64 0.00 2.45 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 413 R 8.18 4.35 0.00 1.87 1.76 0.00 3.16 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 414 W 8.58 5.46 0.00 3.21 3.30 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 0.00 415 R 8.91 4.85 0.00 2.00 1.87 0.00 3.38 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 416 K 9.22 4.61 0.00 1.92 1.68 0.00 1.27 0.00 0.00 1.93 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.02 0.54 7.81 417 Y 8.37 4.69 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 0.00 418 G 6.14 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 0.00 0.00 0.00 419 Q 8.14 4.55 0.00 1.95 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 420 K 7.66 4.73 0.00 1.87 2.01 0.00 1.13 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 421 V 8.26 4.66 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 0.80 0.00 0.00 0.90 0.00 0.00 422 V 8.12 4.01 2.07 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 1.08 0.00 0.00 0.96 0.00 0.00 423 K 8.49 4.18 0.00 1.78 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.37 7.81 424 G 8.98 4.12 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 0.00 0.00 0.00 425 N 7.19 4.85 0.00 2.82 2.70 0.00 0.00 7.20 7.91 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 0.00 426 P 0.00 4.20 0.00 1.78 1.93 0.00 3.40 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.49 0.00 427 Y 7.15 4.42 0.00 3.01 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 0.00 428 P 0.00 4.57 0.00 2.01 2.04 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 429 R 8.36 4.36 0.00 1.71 1.30 0.00 2.90 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 430 S 7.95 4.38 0.00 3.69 3.30 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 0.00 431 Y 7.50 5.17 0.00 2.47 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 432 Y 8.47 5.31 0.00 2.85 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 0.00 433 K 8.82 4.98 0.00 2.02 2.00 0.00 1.15 0.00 0.00 1.21 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.72 1.46 7.81 434 C 9.05 4.19 0.00 1.23 2.34 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 0.00 435 T 7.92 4.52 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 1.24 0.00 0.00 436 T 7.86 4.39 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 1.00 0.00 0.00 437 P 0.00 4.67 0.00 2.00 2.03 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 438 G 8.67 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 0.00 439 C 7.95 4.35 0.00 3.01 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 0.00 440 G 8.13 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 0.00 0.00 0.00 0.00 441 V 7.55 4.18 1.83 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 1.16 0.00 0.00 0.66 0.00 0.00 442 R 8.77 5.46 0.00 1.76 1.78 0.00 2.92 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 443 K 9.12 5.45 0.00 1.09 1.20 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.12 1.13 7.81 444 H 8.56 5.41 0.00 3.20 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 445 V 8.73 4.13 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 0.90 0.00 0.00 1.00 0.00 0.00 446 E 9.01 4.67 0.00 2.09 1.80 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 2.22 2.44 0.00 447 R 8.48 4.97 0.00 1.81 2.01 0.00 3.22 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 448 A 8.68 4.34 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 0.00 449 A 8.85 4.17 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 0.00 450 T 8.13 3.93 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 0.00 451 D 7.72 4.85 0.00 2.79 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 0.00 452 P 0.00 4.36 0.00 2.09 2.14 0.00 3.80 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 2.04 2.11 0.00 453 K 7.01 4.53 0.00 1.88 1.77 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.19 7.81 454 A 7.85 4.60 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 V 8.21 4.79 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 0.79 0.00 0.00 0.87 0.00 0.00 456 V 8.62 4.28 2.11 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 0.74 0.00 0.00 0.97 0.00 0.00 457 T 8.46 5.39 4.40 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 1.12 0.00 0.00 458 T 8.08 4.58 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 1.27 0.00 0.00 459 Y 8.81 4.46 0.00 2.83 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 0.00 460 E 9.92 4.44 0.00 1.93 1.83 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 2.24 2.37 0.00 461 G 8.66 4.36 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 0.00 462 K 8.17 4.49 0.00 1.71 1.72 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.49 7.81 463 H 8.57 4.27 0.00 3.06 3.07 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 N 8.68 5.04 0.00 2.70 2.81 0.00 0.00 6.87 8.15 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 0.00 465 H 7.71 4.96 0.00 3.20 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 466 D 8.39 4.57 0.00 2.71 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 0.00 467 L 8.32 3.84 0.00 1.58 1.50 0.92 0.73 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 0.00 468 P 0.00 4.52 0.00 2.12 2.07 0.00 3.37 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 1.95 1.88 0.00 469 A 8.06 4.14 1.17 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 0.00 0.00 0.00