NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 M 4.5297 8.3049 120.2760 55.2504 33.9255 174.0853 402 K 4.3782 9.0501 119.2925 55.2696 34.3637 174.7243 403 K 5.0676 9.2511 121.8347 54.5000 35.9507 175.1945 404 W 5.2647 9.3431 123.4198 54.7411 32.8895 174.6799 405 V 4.9366 8.9435 123.6363 59.7729 34.0509 174.3876 406 C 3.3529 8.8848 125.5452 59.0318 31.9608 173.9543 407 T 4.2384 8.5503 116.3978 62.4874 68.9403 175.4435 408 V 4.0029 7.5881 122.1015 64.5365 32.2045 175.9065 409 C 4.6892 7.8753 109.5296 57.0269 30.7324 174.6130 410 G 3.9234 8.4578 109.2372 44.9750 0.0000 173.1574 411 Y 4.2809 7.8820 121.3988 58.2317 39.9798 174.7080 412 I 4.7363 7.5762 126.5487 59.7710 38.7711 174.2264 413 Y 4.4588 9.1625 129.6714 56.4371 40.3553 173.5928 414 D 4.6776 7.7474 127.1716 52.5054 42.5141 176.4854 415 E 3.9723 8.9227 127.3592 59.7599 30.0880 179.4554 416 D 4.3506 8.2530 118.7054 57.3451 40.8206 178.5208 417 A 4.0758 8.3837 121.1808 52.9215 19.7835 178.5339 418 G 3.8612 7.1501 103.9229 44.7989 0.0000 175.9226 419 D 4.7624 9.2812 112.4817 52.8343 43.1156 174.4182 420 P 4.6930 0.0000 0.0000 65.6301 32.1131 178.1577 421 D 4.5885 8.4003 118.2246 56.9597 40.7111 177.2174 422 N 4.9363 8.8573 115.4324 52.9442 39.0919 175.7105 423 G 3.9126 8.7511 105.4979 45.2840 0.0000 173.9259 424 I 4.4103 7.4384 121.0896 58.9316 38.2689 175.3227 425 S 4.5351 8.4528 120.6887 57.1393 63.6727 172.1450 426 P 4.4209 0.0000 0.0000 63.8140 31.5186 176.6547 427 G 3.8788 8.7285 109.3580 46.0503 0.0000 173.3364 428 T 4.4566 7.7032 116.3563 62.1257 69.1909 175.1311 429 K 4.4679 8.6477 126.2428 56.0437 32.6214 177.9802 430 F 3.7260 9.5175 123.9741 61.5525 38.8239 177.6404 431 E 3.7331 7.9371 116.5507 59.1001 29.2966 178.3899 432 E 3.9783 7.7430 118.5942 57.5970 30.0408 177.1167 433 L 3.8244 6.2511 116.8036 53.8180 42.4733 175.2873 434 P 4.3459 0.0000 0.0000 62.7751 31.9009 177.4554 435 D 4.2858 8.5596 120.5385 57.3488 40.8424 177.2606 436 D 4.6480 7.9109 115.8313 52.8772 39.7966 176.2097 437 W 4.1243 7.6516 130.3071 57.7669 31.1463 175.3876 438 V 4.2925 6.5837 116.3363 58.7711 35.3667 174.8755 439 C 3.6593 8.6588 122.2465 59.2526 31.4764 172.8150 440 P 4.1917 0.0000 0.0000 64.0866 31.5279 176.9217 441 L 4.3225 7.5486 118.6757 56.3348 42.4491 176.9837 442 C 4.5265 7.9808 109.2108 57.2579 30.9528 174.7219 443 G 3.8043 8.1547 108.8860 45.2795 0.0000 174.1307 444 V 3.8755 7.3563 119.3213 60.8053 32.6241 176.0373 445 G 4.2267 8.3305 110.1527 44.4865 0.0000 174.8454 446 K 4.2435 8.6187 117.8733 59.1676 31.9814 179.0057 447 D 4.6645 8.2447 116.6197 55.1505 39.6048 176.6040 448 Q 4.5422 8.5746 118.9397 55.9242 29.2568 175.2020 449 F 5.1760 8.4459 117.6094 56.3569 40.7473 174.7118 450 E 5.1198 8.9830 119.9967 54.2399 33.3793 174.6499 451 K 3.3016 8.5563 122.5868 56.5212 32.1658 175.9433 452 L 4.3513 8.4726 129.8097 56.6265 43.4761 176.1575 453 E 4.5948 7.3899 117.4779 54.7489 33.4197 174.9670 454 D 4.3909 8.4603 124.0509 54.5692 41.0955 176.4327 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 401 M 8.30 4.53 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 402 K 9.05 4.38 0.00 2.07 1.46 0.00 1.79 0.00 0.00 1.39 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.53 7.81 403 K 9.25 5.07 0.00 1.55 1.57 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.28 7.81 404 W 9.34 5.26 0.00 2.84 2.77 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 0.00 405 V 8.94 4.94 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 0.72 0.00 0.00 0.94 0.00 0.00 406 C 8.88 3.35 0.00 2.37 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 0.00 407 T 8.55 4.24 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 1.30 0.00 0.00 408 V 7.59 4.00 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 0.93 0.00 0.00 0.93 0.00 0.00 409 C 7.88 4.69 0.00 3.08 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 0.00 410 G 8.46 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 411 Y 7.88 4.28 0.00 3.11 3.03 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 0.00 412 I 7.58 4.74 1.67 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 1.17 0.81 0.80 0.00 0.00 413 Y 9.16 4.46 0.00 3.47 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 0.00 414 D 7.75 4.68 0.00 2.57 2.30 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 E 8.92 3.97 0.00 2.07 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 0.00 2.85 2.69 0.00 416 D 8.25 4.35 0.00 2.68 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 0.00 417 A 8.38 4.08 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 0.00 418 G 7.15 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 0.00 419 D 9.28 4.76 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 420 P 0.00 4.69 0.00 2.25 2.21 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 421 D 8.40 4.59 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 422 N 8.86 4.94 0.00 3.02 2.88 0.00 0.00 7.26 7.69 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 0.00 423 G 8.75 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 0.00 0.00 0.00 424 I 7.44 4.41 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.13 1.04 0.00 0.00 425 S 8.45 4.54 0.00 4.02 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 0.00 426 P 0.00 4.42 0.00 2.07 2.22 0.00 3.78 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 427 G 8.73 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 0.00 428 T 7.70 4.46 4.37 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 1.21 0.00 0.00 429 K 8.65 4.47 0.00 1.87 1.98 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.43 7.81 430 F 9.52 3.73 0.00 2.31 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 0.00 0.00 0.00 0.00 431 E 7.94 3.73 0.00 1.88 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 2.29 2.32 0.00 432 E 7.74 3.98 0.00 1.92 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 0.00 2.25 2.29 0.00 433 L 6.25 3.82 0.00 1.05 0.94 -1.42 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 434 P 0.00 4.35 0.00 2.28 1.97 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 435 D 8.56 4.29 0.00 2.62 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 0.00 436 D 7.91 4.65 0.00 2.75 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 0.00 437 W 7.65 4.12 0.00 3.16 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 0.00 438 V 6.58 4.29 1.96 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 0.82 0.00 0.00 0.60 0.00 0.00 439 C 8.66 3.66 0.00 3.24 2.89 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 0.00 440 P 0.00 4.19 0.00 2.00 1.92 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.69 0.00 441 L 7.55 4.32 0.00 1.66 1.76 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 442 C 7.98 4.53 0.00 3.03 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 0.00 443 G 8.15 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 444 V 7.36 3.88 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 1.09 0.00 0.00 0.98 0.00 0.00 445 G 8.33 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 0.00 0.00 0.00 0.00 446 K 8.62 4.24 0.00 1.69 1.58 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.91 1.28 7.81 447 D 8.24 4.66 0.00 2.86 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 0.00 448 Q 8.57 4.54 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 449 F 8.45 5.18 0.00 3.50 3.21 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 0.00 450 E 8.98 5.12 0.00 2.04 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 0.00 2.22 2.24 0.00 451 K 8.56 3.30 0.00 0.79 1.37 0.00 1.65 0.00 0.00 1.18 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.98 0.50 7.81 452 L 8.47 4.35 0.00 1.54 1.59 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 453 E 7.39 4.59 0.00 1.92 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 454 D 8.46 4.39 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00