NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1140 8.2360 109.1373 45.7986 0.0000 174.3206 2 S 4.6187 7.6783 107.3857 57.7587 63.4743 175.2773 *3 H 4.6248 8.2969 119.6151 55.4253 29.9078 179.3046 4 M 4.0503 8.5405 120.8862 57.0208 32.0590 177.5202 *348 E 4.3340 8.1446 118.7539 56.2932 31.5322 177.6643 349 Q 4.0380 7.9129 117.1596 58.8918 28.6567 178.5108 350 L 3.9681 7.8119 120.0406 57.4584 41.5935 179.6716 351 K 3.9404 7.9913 118.8326 59.5575 31.9495 178.7936 352 H 4.1387 8.0202 118.1353 59.4679 29.7203 177.1360 353 C 3.8890 7.9590 118.5145 62.7004 27.7146 175.6504 354 N 4.3046 8.2627 119.0546 56.3278 38.4560 177.2479 355 G 3.5695 8.0499 107.3709 47.7457 0.0000 175.7318 356 I 3.8193 7.7203 122.5365 63.9797 37.2517 178.1020 357 L 4.1588 8.2584 121.2118 58.3788 41.7004 179.1539 358 K 4.0063 8.1313 117.1237 59.4946 32.2812 178.6437 359 E 4.1750 8.3939 119.5169 59.3976 29.4173 178.8497 360 L 4.2091 8.3486 118.2066 57.3152 41.7633 178.5174 361 L 4.5913 7.6524 115.9990 53.8855 42.5179 176.9430 362 S 4.5231 7.5590 115.0631 57.0607 64.4080 175.1694 363 K 3.9524 8.6118 122.1399 59.3356 32.1490 178.6302 364 K 3.8179 8.1766 118.9616 59.0850 32.2158 176.5793 365 H 4.3435 8.0182 112.4800 54.9731 29.1434 175.6024 366 A 4.2576 8.1495 124.4071 54.4676 18.3530 180.2622 367 A 4.2705 7.9456 117.8565 54.6912 18.4886 177.4499 368 Y 4.7330 7.0238 109.6661 56.5085 39.5666 176.0659 369 A 4.5753 7.8933 123.9395 53.3522 19.9301 179.2564 370 W 2.5400 7.3683 112.4830 58.6625 27.9098 176.7010 371 P 3.6166 0.0000 0.0000 63.9734 30.7320 176.7282 372 F 4.7036 7.5224 116.2093 57.2732 39.4230 177.2287 373 Y 4.4718 7.9601 121.0635 60.3801 37.8247 175.9968 374 K 4.8828 7.6666 115.8932 53.3128 36.1907 173.9971 375 P 4.2884 0.0000 0.0000 62.4942 31.7198 176.8884 376 V 3.3861 8.1509 121.8918 63.1942 31.9183 176.0119 377 D 4.5263 8.2389 127.5400 52.2885 40.0593 175.9185 378 A 3.7342 8.2652 126.3208 54.8985 18.5490 179.0964 379 S 4.0635 8.0804 112.4936 61.9165 62.7869 176.7394 380 A 4.0365 8.0079 121.7793 54.7749 18.1863 178.7595 381 L 4.3460 7.6977 114.6659 54.3374 42.0722 177.7148 382 G 3.7553 7.6288 107.0371 46.0964 0.0000 175.2767 383 L 4.4707 7.6082 122.1631 53.5061 39.9090 177.3143 384 H 4.5353 7.9032 114.9052 57.2300 29.5415 176.0659 385 D 5.1631 7.9366 117.7675 52.3087 40.5775 177.2289 386 Y 3.6294 8.2211 122.2528 61.4100 38.5109 177.3250 387 H 4.5760 8.0480 112.6927 57.0558 28.9796 176.2236 388 D 4.5863 7.9954 121.4341 55.9205 40.8516 178.2653 389 I 4.2466 7.5571 118.7167 61.6147 38.0401 175.5613 390 I 4.0534 7.3515 121.7860 59.3243 36.8607 175.4427 391 K 4.0042 8.4260 127.8620 58.5093 32.3445 176.4685 392 H 4.8093 7.5895 114.7778 52.5521 29.3143 170.8909 393 P 4.4965 0.0000 0.0000 62.8205 32.1277 175.7581 394 M 4.7370 8.1689 119.0839 53.7299 35.2028 173.7190 395 D 4.6901 8.1120 123.0302 51.2533 43.6904 176.3345 396 L 4.0460 8.8873 120.5118 57.8543 41.4979 180.1071 397 S 4.1621 8.4360 114.4270 61.6036 62.8727 176.7695 398 T 3.9578 7.9889 119.0539 66.2872 68.3025 176.8486 399 V 3.9773 7.7782 121.6228 65.3308 31.4780 178.0134 400 K 4.0263 8.4836 119.7874 59.5214 32.0756 178.7311 401 R 3.8719 8.0961 118.9439 59.5112 30.0209 178.6899 402 K 3.8199 8.2696 118.3882 59.3540 31.8783 179.1537 403 M 4.1975 8.3743 118.6978 58.8373 32.0476 178.1979 404 E 4.0591 8.2796 117.7136 59.1531 29.6882 178.1549 405 N 4.6264 8.0680 113.6603 52.2727 39.0231 175.0468 406 R 3.8679 7.7727 118.4020 57.2912 28.3968 177.4722 407 D 4.3299 8.5622 119.0051 57.1722 41.6523 176.2698 408 Y 4.4974 7.4918 117.4965 58.0776 38.4256 176.3867 409 R 4.3418 9.6668 124.1349 57.4474 30.7364 175.6096 410 D 4.7527 7.7271 116.2444 50.9590 43.4594 175.7434 411 A 4.1820 8.3867 121.5220 55.4749 18.2489 179.8439 412 Q 4.0954 8.5179 116.0567 59.2337 28.6764 178.8722 413 E 4.0084 8.5214 119.4433 59.3671 29.5789 179.1064 414 F 2.8702 7.6925 119.1645 60.9951 39.3370 176.8940 415 A 3.5966 8.3985 120.4077 55.0249 18.0630 179.3946 416 A 3.8229 7.9899 119.1777 55.3912 18.4272 179.6855 417 D 4.1539 7.6121 117.4400 57.2837 40.7511 179.1275 418 V 2.8823 6.8874 118.6818 65.8317 31.3139 178.4100 419 R 3.9343 7.7232 117.8776 58.7975 29.7445 178.7779 420 L 3.8780 7.6943 120.4865 58.1255 41.6915 178.5399 421 M 3.8186 7.6243 118.0991 58.7464 32.0976 178.3255 422 F 3.9733 7.1448 117.7075 60.4983 38.9604 177.8543 423 S 4.2543 8.4111 115.2361 61.7626 62.6320 176.4997 424 N 4.2997 8.4361 119.5041 56.3914 38.2320 177.0300 425 C 4.2342 7.6140 119.6659 62.8515 31.4996 175.3391 426 Y 4.4773 7.4819 117.0298 60.6244 37.4445 178.0031 427 K 4.1617 8.2126 120.4867 59.5617 32.4749 178.0038 428 Y 4.1127 8.0360 118.5578 59.4128 39.2373 175.3775 429 N 4.7445 7.5157 115.6911 51.1364 40.2964 173.4014 430 P 4.4466 0.0000 0.0000 61.8322 32.0671 175.9790 431 P 4.2890 0.0000 0.0000 65.4069 31.3079 176.9937 432 D 4.7073 7.8882 115.2127 54.2156 41.6983 176.0880 433 H 4.3453 8.2405 120.8567 55.7428 30.7439 175.8203 434 D 4.4817 8.7524 125.4986 57.7598 40.6457 179.6206 435 V 3.6156 8.1369 112.4289 64.2361 31.5096 178.5980 436 V 3.8226 7.8668 117.8006 65.8183 31.3738 177.9624 437 A 4.0344 7.9583 120.2251 55.4699 18.2995 179.3989 438 M 4.1238 8.2229 116.9974 58.3238 31.9786 178.8639 439 A 3.8378 8.3310 121.0559 55.2317 18.6076 179.8724 440 R 3.8378 8.2248 116.5949 59.2716 30.2320 179.5414 441 K 3.7895 7.7666 117.7967 59.3613 32.0358 179.2865 442 L 4.1670 7.9995 120.6347 58.0991 42.0202 178.7538 443 Q 3.4794 7.8653 120.1140 58.6379 28.7622 177.6138 444 D 4.4533 8.0321 119.3952 57.2036 41.1443 178.2755 445 V 3.6597 7.7189 118.3812 65.9928 31.4656 177.7631 446 F 4.3035 8.4597 120.1636 61.4925 39.3537 176.8230 447 E 3.6885 8.8404 118.4619 59.5482 29.0556 179.5480 448 F 3.8998 8.1004 116.5161 60.3615 39.2289 177.3734 449 R 4.1702 7.9898 118.4772 59.1682 29.9439 177.8250 450 Y 4.0451 8.2321 119.6792 60.2639 38.4377 177.5836 451 A 4.0139 7.7615 120.7694 54.0086 18.4012 177.9249 452 K 4.2416 7.3579 116.0340 56.3441 32.1029 176.4276 453 M 3.4870 7.2574 119.5189 54.8898 32.1808 174.5286 454 P 4.2120 0.0000 0.0000 63.5617 32.1892 176.7469 455 D 4.1813 8.3143 119.8878 54.1002 40.5344 174.1438 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 1 G 8.24 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 2 S 7.68 4.62 0.00 3.72 3.74 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 *3 H 8.30 4.62 0.00 2.83 2.96 0.00 7.16 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.54 4.05 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.10 0.00 *348 E 8.14 4.33 0.00 2.01 1.99 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 2.25 2.33 0.00 349 Q 7.91 4.04 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 350 L 7.81 3.97 0.00 1.79 1.70 1.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 351 K 7.99 3.94 0.00 1.97 1.85 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.58 7.81 352 H 8.02 4.14 0.00 3.24 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 353 C 7.96 3.89 0.00 2.66 1.18 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 0.00 354 N 8.26 4.30 0.00 2.84 2.89 0.00 0.00 7.11 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 355 G 8.05 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 356 I 7.72 3.82 2.31 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 1.36 0.00 0.00 357 L 8.26 4.16 0.00 2.07 1.91 1.08 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 358 K 8.13 4.01 0.00 1.99 1.90 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.62 7.81 359 E 8.39 4.18 0.00 2.14 2.22 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 2.55 2.49 0.00 360 L 8.35 4.21 0.00 1.92 1.88 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 361 L 7.65 4.59 0.00 1.65 1.61 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 362 S 7.56 4.52 0.00 4.04 4.18 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 0.00 363 K 8.61 3.95 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 364 K 8.18 3.82 0.00 1.70 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.44 7.81 365 H 8.02 4.34 0.00 3.24 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 366 A 8.15 4.26 1.50 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 0.00 0.00 0.00 367 A 7.95 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 368 Y 7.02 4.73 0.00 3.09 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 0.00 369 A 7.89 4.58 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 0.00 0.00 0.00 0.00 0.00 370 W 7.37 2.54 0.00 3.28 3.10 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 0.00 0.00 0.00 371 P 0.00 3.62 0.00 0.49 1.00 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.44 0.00 372 F 7.52 4.70 0.00 3.20 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 0.00 373 Y 7.96 4.47 0.00 3.17 2.93 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 0.00 374 K 7.67 4.88 0.00 1.74 1.70 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.42 7.81 375 P 0.00 4.29 0.00 2.03 2.00 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.33 0.00 376 V 8.15 3.39 1.50 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 -0.10 0.00 0.00 0.63 0.00 0.00 377 D 8.24 4.53 0.00 2.66 2.48 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 0.00 378 A 8.27 3.73 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 0.00 379 S 8.08 4.06 0.00 3.89 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 0.00 380 A 8.01 4.04 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.35 0.00 1.54 1.66 0.81 0.92 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 0.00 382 G 7.63 3.76 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 0.00 0.00 0.00 383 L 7.61 4.47 0.00 1.56 1.65 0.68 1.48 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 0.00 384 H 7.90 4.54 0.00 3.21 3.39 0.00 5.66 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 0.00 385 D 7.94 5.16 0.00 2.90 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 0.00 386 Y 8.22 3.63 0.00 2.84 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 0.00 387 H 8.05 4.58 0.00 3.21 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 388 D 8.00 4.59 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 4.25 1.92 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 1.67 0.68 0.96 0.00 0.00 390 I 7.35 4.05 1.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.14 0.81 0.00 0.00 391 K 8.43 4.00 0.00 1.62 1.71 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.89 1.30 7.81 392 H 7.59 4.81 0.00 3.12 3.16 0.00 5.76 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 0.00 393 P 0.00 4.50 0.00 2.11 2.13 0.00 3.73 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 2.15 2.16 0.00 394 M 8.17 4.74 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 395 D 8.11 4.69 0.00 3.06 2.72 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 0.00 396 L 8.89 4.05 0.00 1.93 1.84 1.14 1.06 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 0.00 397 S 8.44 4.16 0.00 4.08 4.39 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 0.00 398 T 7.99 3.96 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 1.21 0.00 0.00 399 V 7.78 3.98 2.28 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 1.47 0.00 0.00 0.92 0.00 0.00 400 K 8.48 4.03 0.00 1.99 2.00 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 401 R 8.10 3.87 0.00 2.01 2.06 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 402 K 8.27 3.82 0.00 1.66 0.95 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.33 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.52 7.81 403 M 8.37 4.20 0.00 2.39 2.40 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 404 E 8.28 4.06 0.00 2.09 2.01 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 2.37 2.71 0.00 405 N 8.07 4.63 0.00 2.69 2.80 0.00 0.00 7.09 7.27 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 0.00 406 R 7.77 3.87 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 407 D 8.56 4.33 0.00 2.40 2.25 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 0.00 408 Y 7.49 4.50 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 0.00 409 R 9.67 4.34 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 410 D 7.73 4.75 0.00 3.07 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 0.00 411 A 8.39 4.18 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 0.00 412 Q 8.52 4.10 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 413 E 8.52 4.01 0.00 2.47 2.32 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 2.45 2.54 0.00 414 F 7.69 2.87 0.00 2.52 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 0.00 415 A 8.40 3.60 1.02 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 0.00 0.00 416 A 7.99 3.82 1.37 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 0.00 0.00 0.00 417 D 7.61 4.15 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.89 2.88 0.91 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 -0.31 0.00 0.00 -0.20 0.00 0.00 419 R 7.72 3.93 0.00 1.85 1.95 0.00 3.27 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 420 L 7.69 3.88 0.00 1.77 1.76 0.95 0.72 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 0.00 421 M 7.62 3.82 0.00 1.56 1.69 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.21 0.00 422 F 7.14 3.97 0.00 2.98 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 0.00 423 S 8.41 4.25 0.00 3.95 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 0.00 424 N 8.44 4.30 0.00 2.87 2.89 0.00 0.00 6.66 7.35 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 0.00 425 C 7.61 4.23 0.00 3.10 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 0.00 426 Y 7.48 4.48 0.00 3.17 2.91 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 0.00 427 K 8.21 4.16 0.00 1.88 2.06 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.47 7.81 428 Y 8.04 4.11 0.00 2.98 3.10 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 0.00 0.00 0.00 429 N 7.52 4.74 0.00 2.98 2.74 0.00 0.00 7.11 8.09 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 0.00 430 P 0.00 4.45 0.00 2.20 1.96 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 431 P 0.00 4.29 0.00 2.03 2.12 0.00 3.66 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 2.02 2.12 0.00 432 D 7.89 4.71 0.00 2.67 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 0.00 433 H 8.24 4.35 0.00 3.29 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 D 8.75 4.48 0.00 2.79 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 0.00 435 V 8.14 3.62 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 0.75 0.00 0.00 0.75 0.00 0.00 436 V 7.87 3.82 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 1.17 0.00 0.00 1.14 0.00 0.00 437 A 7.96 4.03 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 0.00 438 M 8.22 4.12 0.00 2.50 2.33 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 439 A 8.33 3.84 1.51 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 0.00 0.00 440 R 8.22 3.84 0.00 1.99 1.93 0.00 3.03 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.97 0.00 441 K 7.77 3.79 0.00 1.60 1.13 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.20 1.40 7.81 442 L 8.00 4.17 0.00 2.09 1.67 1.14 0.68 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 0.00 443 Q 7.87 3.48 0.00 0.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 444 D 8.03 4.45 0.00 2.88 2.80 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 0.00 445 V 7.72 3.66 2.38 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 0.95 0.00 0.00 1.04 0.00 0.00 446 F 8.46 4.30 0.00 3.36 3.36 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 0.00 447 E 8.84 3.69 0.00 1.91 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 2.68 2.52 0.00 448 F 8.10 3.90 0.00 3.19 3.15 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 0.00 449 R 7.99 4.17 0.00 1.92 1.98 0.00 3.25 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 450 Y 8.23 4.05 0.00 2.24 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 A 7.76 4.01 1.26 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 0.00 452 K 7.36 4.24 0.00 1.96 1.81 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 453 M 7.26 3.49 0.00 1.58 1.58 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 454 P 0.00 4.21 0.00 2.00 1.91 0.00 3.54 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 455 D 8.31 4.18 0.00 2.63 2.35 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 * Residues marked with a * may have inaccurate shift predictions.