NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 325 A 4.5250 8.2649 122.4711 52.0491 20.1608 176.2252 326 S 4.5952 8.6304 117.2724 55.6592 65.5860 171.2363 327 C 5.5101 8.9641 116.6771 56.7835 33.0031 172.4679 328 F 5.5659 10.0536 119.4219 56.1690 43.9904 173.2489 329 A 5.3121 9.3858 120.3884 50.5401 22.8881 174.9126 330 L 5.1313 9.7218 124.9269 53.5361 44.5714 175.0166 331 I 5.0066 8.2907 127.5719 59.6936 39.6650 175.1420 332 S 4.8736 9.3050 119.8465 56.2851 67.1344 174.5243 333 G 4.0337 7.4655 106.2912 45.5354 0.0000 172.2474 334 T 4.3769 8.2677 110.8463 61.0137 70.7485 175.0063 335 A 3.9915 8.6130 123.1763 55.6716 18.3449 179.8155 336 N 4.2872 8.1062 114.2078 56.4440 38.6540 177.4002 337 Q 3.9894 8.1067 119.3964 59.2214 28.9036 179.2787 338 V 3.5564 8.1417 119.4480 65.7217 31.4440 177.8895 339 K 3.9513 8.2536 119.6203 59.9629 32.1210 178.7566 340 C 4.3959 8.6721 117.0302 62.3172 27.9408 175.6756 341 Y 4.0353 8.3321 121.9554 60.6890 38.4874 177.4861 342 R 3.7954 8.2875 119.7127 59.4290 29.9740 178.0202 343 F 4.1225 8.2902 120.2517 61.4122 39.3856 176.7822 344 R 3.7110 8.4008 118.5663 59.6339 29.8258 178.5708 345 V 3.4885 7.6841 118.0786 65.6575 31.2882 177.7399 346 K 4.3973 7.8514 116.6075 58.6405 32.8272 178.2270 347 K 4.0833 7.4598 120.1909 57.6820 32.5306 176.9667 348 N 4.9413 8.1659 113.4660 53.0449 40.0813 174.8642 349 H 4.9065 8.4620 118.6752 54.7335 30.4216 175.5122 350 R 3.7335 8.4788 122.4087 59.3516 29.8584 176.3965 351 H 4.6065 8.1881 110.4508 55.7609 28.9240 175.5057 352 R 4.5553 8.0896 119.0309 56.4741 30.3972 175.0732 353 Y 4.7729 7.1912 114.7505 56.0179 40.1051 173.1944 354 E 4.2016 8.0811 121.0883 57.4641 29.4335 175.4619 355 N 5.3768 8.5479 114.5149 51.7345 43.8148 172.3835 356 C 5.2640 8.5559 119.6618 58.0617 34.7970 173.5745 357 T 4.6364 8.4123 116.1062 60.5515 70.3517 174.2773 358 T 4.2344 8.3349 112.7514 61.3372 69.7475 173.8206 359 T 4.0977 8.2288 118.9898 63.2031 69.0403 174.3035 360 W 5.2527 8.2496 122.3175 54.8597 32.4610 173.4826 361 F 5.3031 9.0025 117.6217 56.1679 43.0330 174.5487 362 T 4.5583 8.6751 116.5447 61.9168 68.9648 175.4378 363 V 3.7395 8.5619 126.2272 63.6398 33.2328 173.6535 364 A 4.5522 8.0615 126.1910 52.2701 17.7658 180.0764 *373 Q 4.2903 8.8008 116.5261 57.8379 29.8941 173.7899 374 A 3.6820 8.6571 125.1375 51.6749 20.2436 176.2768 375 Q 4.6189 7.6014 116.8003 54.6720 32.4831 173.4478 376 I 4.7687 8.1624 113.5068 59.0547 41.7110 173.8706 377 L 5.3328 9.0215 123.2811 53.1943 44.5849 175.3860 378 I 4.7920 8.9581 125.4034 59.6437 39.6625 175.1649 379 T 4.5754 8.5396 117.5434 60.2641 71.1201 173.6550 380 F 5.1773 8.0553 119.1494 55.5621 42.6712 176.6474 381 G 3.3860 9.4311 111.7007 47.6959 0.0000 174.1263 382 S 4.5870 7.4016 113.0079 55.8852 67.1995 175.0886 383 P 4.2075 0.0000 0.0000 65.8217 30.8853 178.9119 384 S 4.0971 7.9478 114.0394 61.3313 63.1949 175.9598 385 Q 3.9726 7.8181 122.8401 58.7436 28.6947 178.3145 386 R 3.0442 7.6449 119.1606 59.3183 30.0013 178.2682 387 Q 3.9223 7.8142 117.7966 59.3564 28.7350 178.8947 388 D 4.4083 8.4376 118.8430 56.9269 41.2000 178.2105 389 F 4.0473 8.3362 121.5134 61.1914 39.3390 176.8299 390 L 4.1636 8.6219 118.9702 58.2307 41.8943 178.9634 391 K 4.1103 8.0420 117.2159 59.8504 32.1749 178.8548 392 H 4.3467 7.9833 114.8775 57.4515 29.1552 176.7243 393 V 3.3628 6.9628 120.3379 61.8479 31.7120 173.7726 394 P 4.4232 0.0000 0.0000 62.2094 32.1462 175.2556 395 L 4.7060 8.1840 122.3744 52.4299 43.5630 174.4239 396 P 4.4445 0.0000 0.0000 61.8176 32.2182 174.6532 397 P 4.2919 0.0000 0.0000 64.0406 31.8633 177.0757 398 G 4.0868 8.8323 109.7149 45.8192 0.0000 173.9290 399 M 4.5548 7.2777 117.4141 54.6345 33.5478 175.2700 400 N 5.0874 8.6389 117.5729 52.1134 43.3019 172.7806 401 I 5.1830 8.2157 122.0529 59.4908 41.0473 174.3184 402 S 4.8176 9.5145 125.1190 56.6679 66.5578 173.1241 403 G 4.4897 8.3784 109.4104 44.7561 0.0000 172.8147 404 F 5.0810 9.2881 120.7458 55.8278 43.9274 173.7726 405 T 5.3661 8.8941 117.6283 61.9035 71.3848 173.1936 406 A 5.0588 9.3915 127.8976 49.9846 22.6864 174.6831 407 S 4.9970 8.5077 114.2921 56.1015 65.8829 173.6378 408 L 4.0470 8.5632 124.8906 55.2714 42.6334 175.9058 409 D 4.7015 8.6050 126.0734 56.0014 41.8453 176.4147 410 F 4.4956 7.1740 116.6911 57.1852 37.6324 173.7738 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 325 A 8.26 4.53 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 S 8.63 4.60 0.00 3.86 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 C 8.96 5.51 0.00 2.89 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 0.00 328 F 10.05 5.57 0.00 3.06 3.13 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 0.00 329 A 9.39 5.31 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 330 L 9.72 5.13 0.00 1.96 1.80 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 331 I 8.29 5.01 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.40 0.00 0.00 332 S 9.31 4.87 0.00 3.75 3.72 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 0.00 333 G 7.47 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 0.00 0.00 0.00 334 T 8.27 4.38 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 0.00 335 A 8.61 3.99 1.49 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 0.00 0.00 336 N 8.11 4.29 0.00 2.79 2.89 0.00 0.00 7.07 7.74 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 0.00 337 Q 8.11 3.99 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 338 V 8.14 3.56 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 0.86 0.00 0.00 0.86 0.00 0.00 339 K 8.25 3.95 0.00 1.90 2.02 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.49 7.81 340 C 8.67 4.40 0.00 3.04 3.06 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 0.00 0.00 0.00 341 Y 8.33 4.04 0.00 3.06 3.18 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 0.00 342 R 8.29 3.80 0.00 2.09 2.17 0.00 3.19 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 343 F 8.29 4.12 0.00 3.26 3.26 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 0.00 344 R 8.40 3.71 0.00 1.91 2.07 0.00 3.16 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 345 V 7.68 3.49 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 1.03 0.00 0.00 0.13 0.00 0.00 346 K 7.85 4.40 0.00 2.11 2.11 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.36 7.81 347 K 7.46 4.08 0.00 1.18 1.66 0.00 1.32 0.00 0.00 1.43 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.29 7.81 348 N 8.17 4.94 0.00 2.79 2.64 0.00 0.00 6.80 8.67 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 0.00 349 H 8.46 4.91 0.00 3.37 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 350 R 8.48 3.73 0.00 1.84 1.92 0.00 3.37 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 351 H 8.19 4.61 0.00 3.29 3.33 0.00 5.56 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 352 R 8.09 4.56 0.00 2.19 2.31 0.00 3.21 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.00 353 Y 7.19 4.77 0.00 2.41 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 0.00 354 E 8.08 4.20 0.00 2.03 1.87 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 2.23 2.23 0.00 355 N 8.55 5.38 0.00 2.69 2.67 0.00 0.00 6.55 8.96 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 0.00 356 C 8.56 5.26 0.00 2.67 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 0.00 357 T 8.41 4.64 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 358 T 8.33 4.23 4.31 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 1.26 0.00 0.00 359 T 8.23 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 360 W 8.25 5.25 0.00 3.37 3.09 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 0.00 0.00 0.00 361 F 9.00 5.30 0.00 2.99 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 0.00 362 T 8.68 4.56 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 1.29 0.00 0.00 363 V 8.56 3.74 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 0.79 0.00 0.00 0.98 0.00 0.00 364 A 8.06 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *373 Q 8.80 4.29 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 374 A 8.66 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 375 Q 7.60 4.62 0.00 1.14 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.64 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 376 I 8.16 4.77 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.92 0.00 0.00 377 L 9.02 5.33 0.00 1.89 1.74 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 378 I 8.96 4.79 1.54 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.89 -0.15 0.00 0.00 379 T 8.54 4.58 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 1.40 0.00 0.00 380 F 8.06 5.18 0.00 2.93 3.09 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 0.00 0.00 0.00 381 G 9.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 382 S 7.40 4.59 0.00 3.89 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 0.00 383 P 0.00 4.21 0.00 2.24 2.31 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 384 S 7.95 4.10 0.00 4.07 4.15 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 0.00 385 Q 7.82 3.97 0.00 2.22 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.78 2.49 0.00 386 R 7.64 3.04 0.00 0.88 1.63 0.00 2.95 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 387 Q 7.81 3.92 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 388 D 8.44 4.41 0.00 2.81 2.88 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 0.00 389 F 8.34 4.05 0.00 3.76 3.35 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 0.00 390 L 8.62 4.16 0.00 1.72 1.98 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 391 K 8.04 4.11 0.00 1.87 1.81 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.67 7.81 392 H 7.98 4.35 0.00 3.17 3.36 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 393 V 6.96 3.36 1.41 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 0.40 0.00 0.00 -0.07 0.00 0.00 394 P 0.00 4.42 0.00 2.24 2.02 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 395 L 8.18 4.71 0.00 1.60 1.59 0.67 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 396 P 0.00 4.44 0.00 2.09 2.01 0.00 3.75 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 397 P 0.00 4.29 0.00 2.17 1.97 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 398 G 8.83 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 399 M 7.28 4.55 0.00 1.78 2.03 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 400 N 8.64 5.09 0.00 2.73 2.53 0.00 0.00 6.97 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 401 I 8.22 5.18 1.89 0.00 0.00 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 1.44 1.16 0.95 0.00 0.00 402 S 9.51 4.82 0.00 3.94 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 0.00 0.00 0.00 0.00 404 F 9.29 5.08 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 0.00 405 T 8.89 5.37 4.32 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 1.35 0.00 0.00 406 A 9.39 5.06 1.23 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 0.00 407 S 8.51 5.00 0.00 3.86 3.85 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 0.00 408 L 8.56 4.05 0.00 1.59 1.61 0.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 409 D 8.61 4.70 0.00 2.66 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 0.00 410 F 7.17 4.50 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.