NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 336 M 4.4287 8.3044 118.2027 54.6814 32.8277 174.5679 337 D 4.1905 8.4638 117.4873 53.8463 42.2443 175.1408 338 R 3.9260 9.0099 127.1011 59.9122 30.4630 177.9832 339 R 3.9274 8.0699 117.7520 59.2736 30.0754 178.1802 340 Q 3.9138 8.8195 119.8238 59.0111 29.0612 177.6322 341 K 3.9073 8.1754 120.8226 59.9849 32.0514 178.5330 342 R 4.0455 8.1028 118.5171 59.2327 30.0347 178.0797 343 L 3.9787 7.9426 120.2659 58.2745 41.9967 178.9915 344 I 3.6423 8.2441 119.9905 64.3646 37.1292 178.0364 345 F 3.9252 8.3650 118.7485 60.9138 38.6277 178.0181 346 S 4.1500 8.2654 110.9700 61.7310 62.4294 175.9333 347 T 4.0451 8.4128 118.6976 66.7451 68.1332 176.6879 348 I 3.7883 8.0016 121.9209 64.5812 37.3506 178.4607 349 T 4.0387 8.0901 109.6032 63.9618 68.2184 176.0560 350 S 4.2724 7.6496 118.1100 60.9052 62.8953 175.3418 351 K 4.4284 8.4838 119.7842 55.7313 32.2317 176.0921 352 M 4.4732 7.3745 119.4839 53.7899 34.2177 174.7847 353 N 4.9225 8.5099 118.3055 52.2983 40.7050 173.0291 354 L 5.4822 8.3830 125.9908 52.5106 45.0950 176.7591 355 S 4.2589 9.1698 117.6438 58.2138 63.5418 175.1956 356 E 3.9307 9.0594 123.1638 59.2781 29.3820 178.0535 357 E 4.2645 7.9816 114.2620 56.7815 30.5978 176.8105 358 V 3.5597 7.4457 119.8518 63.2974 31.9903 174.8809 359 D 4.5637 8.2866 124.1641 51.6432 42.8062 175.9238 360 L 4.0361 8.2597 127.4654 56.7100 41.5040 178.6924 361 E 3.7900 8.3144 119.9062 58.9528 29.2432 178.2831 362 D 4.0244 7.2549 118.5988 56.8721 40.8794 177.8381 363 Y 3.7910 6.8004 116.4476 60.5162 38.1370 177.6171 364 V 3.5431 7.3823 117.7395 66.0057 31.5357 177.0842 365 A 4.2673 7.9088 117.8469 51.8499 19.1941 177.8484 366 R 4.0072 7.4583 117.5924 55.5816 31.0757 175.8816 367 P 4.6573 0.0000 0.0000 61.5295 30.1144 174.5613 368 D 5.0006 7.6742 120.0992 52.7854 44.0362 176.4020 369 K 4.2747 8.6955 124.2038 56.1568 32.7103 176.3969 370 I 4.6487 8.1263 115.9206 58.6763 40.4313 174.7764 371 S 4.7566 9.0837 118.2467 57.0746 66.2061 175.5623 372 G 3.5432 8.4132 107.4981 47.4853 0.0000 175.6104 373 A 3.9347 7.9005 122.6343 55.2354 18.5300 178.8614 374 D 4.2910 8.2840 117.1569 57.7760 40.9136 179.7227 375 I 3.3660 7.7091 119.7161 64.3223 37.1044 177.8053 376 N 4.1444 7.9881 117.8111 56.8644 38.6163 176.6726 377 S 4.0759 8.1656 116.4656 61.9803 63.0078 177.0013 378 I 3.7337 7.7384 122.1287 64.4480 36.9246 178.4003 379 C 4.2886 8.3218 117.8409 62.8491 28.0804 176.1977 380 Q 3.9460 8.5284 120.0245 58.8137 28.2474 178.2373 381 E 3.8422 8.1832 120.2723 59.4328 29.2246 178.7520 382 S 4.1254 8.3715 115.4397 61.7821 62.9138 177.2129 383 G 3.4379 7.8695 107.5519 47.6431 0.0000 175.2509 384 M 4.0606 7.7542 120.1503 58.1608 32.2196 177.3022 385 L 4.0940 8.4982 117.2599 55.5181 42.4289 176.7094 386 A 4.4409 7.2607 118.6740 54.2144 20.3341 179.7454 387 V 3.6999 7.3927 115.3416 64.2909 31.2956 178.3371 388 R 3.9055 7.5513 119.3212 59.3569 30.0925 177.1668 389 E 3.9019 7.1492 116.7464 58.6481 29.8341 175.6658 390 N 4.9136 6.8757 111.9844 51.8848 42.4212 173.6962 391 R 4.4589 8.3877 117.8971 56.4078 31.6821 174.8295 392 Y 4.9052 7.8859 114.2496 58.0661 41.1492 173.9107 393 I 4.5760 7.8901 118.9313 60.5398 41.3163 175.4836 394 V 4.2373 9.4242 130.4649 62.8844 32.9500 175.3641 395 L 4.9700 10.4942 127.5965 52.9352 44.6233 177.3149 396 A 4.4259 8.6633 120.7069 55.0822 18.1638 179.7755 397 K 4.1189 8.1319 117.3259 59.8684 33.0252 178.7749 398 D 4.3500 7.8087 118.8891 57.6306 40.7841 179.0675 399 F 4.0088 7.8671 118.6851 59.8859 38.4413 177.5114 400 E 4.2165 8.3803 118.1782 58.9001 29.2318 179.2593 401 K 3.9626 8.0256 119.4174 59.3792 32.3231 178.3918 402 A 3.9413 7.7757 120.8232 55.5970 18.1616 178.8900 403 Y 3.8111 8.0198 117.5254 60.9302 38.7545 178.4254 404 K 4.2385 7.7420 115.8617 59.1623 32.3368 178.6837 405 T 4.0995 7.8903 116.7261 65.7234 68.5149 176.3204 406 V 3.8700 8.1496 122.1944 64.6411 31.8950 176.1796 407 I 3.9855 7.4934 119.7830 62.0090 36.9369 175.7727 408 K 4.1960 8.5518 123.9651 56.4482 31.2560 176.8091 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 336 M 8.30 4.43 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 337 D 8.46 4.19 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 R 9.01 3.93 0.00 1.94 1.95 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 339 R 8.07 3.93 0.00 1.93 2.04 0.00 3.24 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 340 Q 8.82 3.91 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 341 K 8.18 3.91 0.00 2.16 2.14 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.78 1.72 7.81 342 R 8.10 4.05 0.00 2.00 2.12 0.00 3.16 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 343 L 7.94 3.98 0.00 1.94 1.84 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 344 I 8.24 3.64 1.96 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 0.63 0.78 0.00 0.00 345 F 8.36 3.93 0.00 3.43 3.12 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 0.00 346 S 8.27 4.15 0.00 3.92 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 347 T 8.41 4.05 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 348 I 8.00 3.79 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.93 0.00 0.00 349 T 8.09 4.04 4.34 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 1.44 0.00 0.00 350 S 7.65 4.27 0.00 4.09 3.99 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 0.00 351 K 8.48 4.43 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 352 M 7.37 4.47 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 353 N 8.51 4.92 0.00 2.85 2.71 0.00 0.00 6.68 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 354 L 8.38 5.48 0.00 1.57 1.59 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 355 S 9.17 4.26 0.00 4.00 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 0.00 356 E 9.06 3.93 0.00 1.94 2.10 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 2.32 2.40 0.00 357 E 7.98 4.26 0.00 2.06 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 2.23 2.23 0.00 358 V 7.45 3.56 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 0.54 0.00 0.00 1.07 0.00 0.00 359 D 8.29 4.56 0.00 2.65 2.36 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 0.00 360 L 8.26 4.04 0.00 1.56 1.30 0.90 0.21 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 0.00 361 E 8.31 3.79 0.00 2.08 1.81 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 2.23 2.29 0.00 362 D 7.25 4.02 0.00 1.92 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 0.00 0.00 0.00 363 Y 6.80 3.79 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 V 7.38 3.54 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 0.82 0.00 0.00 0.78 0.00 0.00 365 A 7.91 4.27 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 0.00 366 R 7.46 4.01 0.00 1.96 2.08 0.00 2.64 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 367 P 0.00 4.66 0.00 2.20 2.10 0.00 3.74 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 2.00 2.00 0.00 368 D 7.67 5.00 0.00 2.86 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 0.00 369 K 8.70 4.27 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 370 I 8.13 4.65 1.88 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.48 1.00 0.00 0.00 371 S 9.08 4.76 0.00 4.03 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 0.00 372 G 8.41 3.54 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 0.00 0.00 0.00 373 A 7.90 3.93 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 0.00 374 D 8.28 4.29 0.00 2.93 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 0.00 375 I 7.71 3.37 1.58 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.58 -0.33 0.00 0.00 376 N 7.99 4.14 0.00 2.70 2.78 0.00 0.00 7.28 6.92 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 0.00 377 S 8.17 4.08 0.00 3.93 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 0.00 378 I 7.74 3.73 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.66 1.11 0.00 0.00 379 C 8.32 4.29 0.00 3.18 3.04 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 0.00 380 Q 8.53 3.95 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 381 E 8.18 3.84 0.00 2.10 2.15 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 2.25 2.33 0.00 382 S 8.37 4.13 0.00 3.38 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 0.00 383 G 7.87 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 384 M 7.75 4.06 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 385 L 8.50 4.09 0.00 1.71 1.81 0.86 1.06 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 0.00 386 A 7.26 4.44 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 387 V 7.39 3.70 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 0.79 0.00 0.00 0.92 0.00 0.00 388 R 7.55 3.91 0.00 1.75 1.96 0.00 3.25 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 389 E 7.15 3.90 0.00 1.84 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 2.16 2.18 0.00 390 N 6.88 4.91 0.00 2.77 2.81 0.00 0.00 6.89 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 391 R 8.39 4.46 0.00 1.83 1.94 0.00 3.22 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 392 Y 7.89 4.91 0.00 2.80 2.78 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 0.00 393 I 7.89 4.58 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.67 0.00 0.00 394 V 9.42 4.24 2.27 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 0.92 0.00 0.00 1.03 0.00 0.00 395 L 10.49 4.97 0.00 1.71 1.59 0.74 0.45 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 0.00 396 A 8.66 4.43 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 0.00 397 K 8.13 4.12 0.00 2.06 2.15 0.00 1.63 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.64 7.81 398 D 7.81 4.35 0.00 2.78 2.78 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 0.00 399 F 7.87 4.01 0.00 3.32 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 0.00 400 E 8.38 4.22 0.00 2.15 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 2.74 2.62 0.00 401 K 8.03 3.96 0.00 2.00 1.90 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 402 A 7.78 3.94 1.27 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 0.00 0.00 0.00 403 Y 8.02 3.81 0.00 3.16 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 0.00 404 K 7.74 4.24 0.00 1.89 1.94 0.00 2.05 0.00 0.00 2.05 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.81 7.81 405 T 7.89 4.10 4.49 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 1.18 0.00 0.00 406 V 8.15 3.87 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 0.77 0.00 0.00 0.88 0.00 0.00 407 I 7.49 3.99 1.48 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.43 0.84 0.00 0.00 408 K 8.55 4.20 0.00 1.83 2.09 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.34 7.81