NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9653 8.1976 109.7355 44.6146 0.0000 174.2861 -3 P 4.1362 0.0000 0.0000 64.7028 31.1768 175.9756 -2 L 4.0556 8.0585 117.8753 55.0627 43.2567 179.6808 -1 G 3.9118 8.2007 107.4414 45.4989 0.0000 175.0295 0 S 4.3212 8.1552 116.5412 58.8099 64.4775 172.8388 *339 Q 4.4757 7.8757 118.8228 55.9778 29.5004 174.9794 340 E 4.1618 8.7942 124.0042 56.8285 31.1438 176.0790 341 L 4.5059 8.8576 124.1269 53.3598 43.7579 175.7826 342 R 4.8494 8.8409 124.5926 55.2962 31.4248 175.8394 343 L 5.3069 9.1255 123.9086 52.9272 46.1337 175.7227 344 R 5.1716 8.6404 119.8273 54.4627 33.6227 175.0406 345 V 4.8564 9.0257 122.6998 61.1589 34.5778 173.8924 346 Q 4.9360 9.1696 129.0237 54.6293 32.1574 174.8633 347 G 4.6852 9.0260 115.1965 43.7881 0.0000 173.9290 348 K 3.8177 8.5861 117.9466 59.2892 33.1613 177.2994 349 E 4.3492 7.4084 116.7510 55.0240 30.3908 177.6924 350 K 4.0196 8.6767 122.4185 59.8198 32.2386 177.8291 351 H 4.5406 8.1502 111.0688 56.6685 29.2842 176.0204 352 Q 4.3242 8.2591 122.5933 55.1510 26.7135 173.9056 353 M 5.3739 7.8651 119.2473 53.3999 36.0084 174.2542 354 L 4.8341 9.0459 126.9937 53.2515 45.3661 174.3639 355 E 5.1116 8.8646 126.9292 54.8757 31.2344 174.7134 356 I 4.6219 8.6947 126.0490 59.3354 42.0956 173.6805 357 S 5.0073 8.7231 123.5990 57.0138 63.2192 172.5339 358 L 4.6797 8.7723 130.8865 53.2210 43.7802 176.1825 359 S 4.9263 8.8495 122.0183 57.3381 63.7521 173.6377 360 P 4.2672 0.0000 0.0000 64.9475 31.4309 176.7385 361 D 4.6961 7.9671 117.0648 53.0586 39.6949 175.7853 362 S 4.5706 7.4817 117.0854 56.7633 63.9951 172.6940 363 P 4.6300 0.0000 0.0000 62.1302 32.0117 177.4809 364 L 3.9604 8.6381 120.6842 57.4394 41.2471 179.7322 365 K 3.7445 8.0423 120.0418 59.3006 31.9483 178.7988 366 V 3.5080 7.8598 118.6441 65.8523 31.4024 177.7737 367 L 4.0140 7.7818 119.5032 58.4890 42.0316 178.6720 368 M 3.5724 7.8126 118.5984 58.2516 31.7437 179.0161 369 S 4.1577 8.2608 115.5090 61.9541 62.9440 176.4193 370 H 4.2218 8.3351 118.9385 58.8952 28.3051 177.2947 371 Y 4.0464 8.4330 121.4551 60.7452 38.7013 177.7179 372 E 3.9529 8.4831 119.5360 59.4857 29.2584 179.0743 373 E 3.8600 8.3348 118.8351 59.2534 29.5272 178.5703 374 A 3.9643 7.9878 119.7191 55.1181 18.5665 178.6751 375 M 4.1575 7.6270 113.7043 54.2240 32.7106 176.2316 376 G 3.8023 7.6861 106.6812 47.3173 0.0000 174.3148 377 L 4.4306 8.1002 116.3031 53.6972 42.7258 176.7333 378 S 4.2539 8.1113 113.3867 60.1140 62.4815 174.7388 379 G 4.0739 8.9866 115.2134 45.8021 0.0000 173.5217 380 H 4.2777 8.0887 116.6881 55.5663 29.1852 175.7736 381 K 4.3658 8.4890 122.5281 55.7831 31.3174 176.1238 382 L 5.0969 8.3457 123.2279 52.8033 45.1427 176.3462 383 S 4.7537 9.0889 118.0925 56.9117 65.8911 173.0270 384 F 5.2875 8.8146 123.4258 56.0319 41.2852 174.9074 385 F 5.4164 9.6716 121.1708 55.6889 43.3886 173.5752 386 F 5.1002 9.2990 125.1901 56.5450 41.5472 174.7725 387 D 4.0939 9.5565 127.3199 55.0106 39.3776 174.2654 388 G 3.9252 8.5309 105.8122 45.1858 0.0000 173.8961 389 T 4.4136 7.9457 117.9801 61.9261 69.2724 174.1801 390 K 3.8525 8.6267 128.3775 55.9399 32.8982 175.7842 391 L 4.7339 8.3027 127.0699 53.5811 42.8227 177.0800 392 S 4.2276 9.4084 118.2251 59.0584 63.8360 175.5808 393 G 3.8931 8.7799 109.9334 45.0356 0.0000 174.9087 394 K 4.1833 7.7564 117.7492 57.5802 32.7346 177.4285 395 E 4.2024 7.8923 119.1259 56.2937 30.2696 176.1570 396 L 4.7434 8.8345 122.3852 52.9247 43.6101 176.0409 397 P 4.1227 0.0000 0.0000 66.1174 30.6930 178.9133 398 A 4.0538 7.9336 118.5380 54.9971 18.0658 179.1766 399 D 4.3871 7.9482 117.0088 56.9179 40.9227 177.9703 400 L 4.5746 7.7601 117.5361 53.7666 42.3561 176.9605 401 G 3.8933 7.5555 105.4144 46.1945 0.0000 174.0795 402 L 3.9896 7.7315 118.6126 54.4213 42.4116 176.4057 403 E 4.7497 9.0917 118.6874 54.1315 32.8812 175.0914 404 S 4.4504 8.4463 115.9377 60.5058 63.1955 175.2166 405 G 3.9837 9.1738 113.5705 45.0671 0.0000 173.3002 406 D 4.8638 7.9579 119.7959 54.0364 42.4711 175.1445 407 L 5.3669 8.6299 119.3203 53.1900 44.8094 176.0302 408 I 4.9018 8.8361 123.2612 59.7205 40.1925 174.3283 409 E 5.0484 9.2355 126.1304 54.7301 32.1892 175.0525 410 V 4.6337 8.5325 123.5376 60.9088 34.1770 174.2892 411 W 4.6948 9.3797 128.1715 55.8756 32.0124 176.8062 412 G 4.1109 8.9787 110.3983 46.0547 0.0000 173.7026 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 -4 G 8.20 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 0.00 0.00 0.00 0.00 -3 P 0.00 4.14 0.00 2.26 2.20 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 -2 L 8.06 4.06 0.00 1.65 1.75 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 -1 G 8.20 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 0 S 8.16 4.32 0.00 3.94 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 *339 Q 7.88 4.48 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 340 E 8.79 4.16 0.00 1.88 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 2.39 2.29 0.00 341 L 8.86 4.51 0.00 1.60 1.55 0.85 0.91 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 0.00 342 R 8.84 4.85 0.00 1.76 1.86 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 343 L 9.13 5.31 0.00 1.53 1.53 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 344 R 8.64 5.17 0.00 1.80 1.83 0.00 3.09 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 345 V 9.03 4.86 2.29 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 0.85 0.00 0.00 1.03 0.00 0.00 346 Q 9.17 4.94 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.29 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 347 G 9.03 4.69 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 0.00 0.00 0.00 348 K 8.59 3.82 0.00 1.69 1.73 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.40 7.81 349 E 7.41 4.35 0.00 2.01 1.91 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 2.27 2.36 0.00 350 K 8.68 4.02 0.00 1.73 1.88 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 351 H 8.15 4.54 0.00 3.23 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 352 Q 8.26 4.32 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 353 M 7.87 5.37 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 354 L 9.05 4.83 0.00 1.88 1.69 0.95 0.90 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 0.00 355 E 8.86 5.11 0.00 2.03 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 2.23 2.50 0.00 356 I 8.69 4.62 1.89 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 1.09 1.48 0.94 0.00 0.00 357 S 8.72 5.01 0.00 3.90 3.75 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 0.00 358 L 8.77 4.68 0.00 1.74 1.47 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 359 S 8.85 4.93 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.25 2.16 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 361 D 7.97 4.70 0.00 2.79 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 0.00 362 S 7.48 4.57 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.63 0.00 2.13 1.93 0.00 3.57 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 364 L 8.64 3.96 0.00 1.56 1.59 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 365 K 8.04 3.74 0.00 1.88 1.75 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.38 7.81 366 V 7.86 3.51 2.20 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 0.98 0.00 0.00 0.94 0.00 0.00 367 L 7.78 4.01 0.00 1.73 1.76 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 368 M 7.81 3.57 0.00 1.47 1.87 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.81 0.00 369 S 8.26 4.16 0.00 3.93 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 0.00 370 H 8.34 4.22 0.00 3.38 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 371 Y 8.43 4.05 0.00 3.29 3.42 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 0.00 372 E 8.48 3.95 0.00 2.30 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 2.55 2.83 0.00 373 E 8.33 3.86 0.00 2.08 2.18 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 2.32 2.37 0.00 374 A 7.99 3.96 1.30 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 0.00 0.00 375 M 7.63 4.16 0.00 1.70 1.64 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 376 G 7.69 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 0.00 377 L 8.10 4.43 0.00 1.58 1.49 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 378 S 8.11 4.25 0.00 3.84 3.81 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 0.00 379 G 8.99 4.07 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 0.00 0.00 0.00 380 H 8.09 4.28 0.00 3.30 3.32 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 381 K 8.49 4.37 0.00 1.78 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.49 7.81 382 L 8.35 5.10 0.00 1.57 1.25 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 383 S 9.09 4.75 0.00 3.94 3.63 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 0.00 384 F 8.81 5.29 0.00 2.77 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 0.00 385 F 9.67 5.42 0.00 2.97 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 0.00 386 F 9.30 5.10 0.00 3.16 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 0.00 387 D 9.56 4.09 0.00 1.58 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 0.00 0.00 0.00 0.00 388 G 8.53 3.93 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 0.00 0.00 0.00 389 T 7.95 4.41 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 390 K 8.63 3.85 0.00 1.49 1.59 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.16 0.80 7.81 391 L 8.30 4.73 0.00 1.59 1.64 0.96 0.82 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 0.00 392 S 9.41 4.23 0.00 3.90 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 0.00 393 G 8.78 3.89 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 0.00 0.00 0.00 394 K 7.76 4.18 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.37 7.81 395 E 7.89 4.20 0.00 2.03 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 2.40 2.38 0.00 396 L 8.83 4.74 0.00 1.78 1.54 0.90 1.02 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 0.00 397 P 0.00 4.12 0.00 2.09 2.03 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 398 A 7.93 4.05 1.30 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 0.00 0.00 399 D 7.95 4.39 0.00 2.84 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 0.00 400 L 7.76 4.57 0.00 1.57 1.67 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 401 G 7.56 3.89 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 0.00 0.00 0.00 402 L 7.73 3.99 0.00 1.47 1.40 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 403 E 9.09 4.75 0.00 2.07 1.98 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 2.41 2.28 0.00 404 S 8.45 4.45 0.00 3.88 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 0.00 405 G 9.17 3.98 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 0.00 0.00 0.00 406 D 7.96 4.86 0.00 2.79 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 0.00 407 L 8.63 5.37 0.00 1.59 1.62 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 408 I 8.84 4.90 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 1.17 0.00 0.00 409 E 9.24 5.05 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 410 V 8.53 4.63 1.62 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 0.09 0.00 0.00 -0.03 0.00 0.00 411 W 9.38 4.69 0.00 3.42 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 0.00 412 G 8.98 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.