NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 305 S 4.3718 8.3344 115.2857 58.0849 63.3155 173.6140 306 L 4.5623 8.2839 125.3167 55.5270 43.1089 174.5257 307 A 4.0283 8.3764 122.3907 55.2489 19.2679 178.4784 308 L 4.2287 7.9006 113.3730 56.3211 42.0002 177.5668 309 S 4.7004 7.8096 112.6442 57.7457 63.1623 173.9518 310 L 4.4211 7.2630 120.1490 54.6788 42.3849 177.4961 311 T 4.0835 9.2641 116.9744 61.4496 69.3793 175.3299 312 A 3.9422 8.4046 126.9165 55.5522 18.3664 179.8436 313 D 4.3254 7.9097 116.6418 57.7472 40.8762 178.9995 314 Q 4.0162 7.8954 118.0159 58.8348 28.6783 178.1217 315 M 3.9497 8.4710 119.7737 58.7281 32.2175 178.4241 316 V 3.5581 7.7825 118.1685 66.1129 31.6255 178.1266 317 S 4.0854 8.1626 114.5692 61.4474 62.6888 176.3079 318 A 3.9858 8.1331 123.5302 55.3742 17.9110 179.6885 319 L 3.9586 7.8443 115.8580 57.8812 42.0980 179.4954 320 L 4.1833 8.1851 119.0669 58.0729 41.3950 179.3103 321 D 4.4302 8.3154 117.5822 57.3002 40.8731 178.2728 322 A 4.2789 7.9459 118.9605 52.3802 18.7752 177.6168 323 E 4.0179 7.6262 117.7192 55.9944 30.0394 175.6142 324 P 4.5929 0.0000 0.0000 61.5061 32.3499 174.0493 325 P 4.5390 0.0000 0.0000 62.3337 32.2227 175.5213 326 I 4.1785 8.0438 119.8414 60.1497 37.8558 175.9070 327 L 4.6316 8.2112 125.2777 53.7594 43.1347 175.8416 328 Y 4.3023 8.4407 118.7139 57.0111 39.1612 175.8129 329 S 4.6485 8.6883 117.7746 57.8810 64.4351 173.7599 330 E 4.4312 8.6644 118.0930 56.2701 29.2325 175.6968 331 Y 4.1904 7.2746 119.1107 58.1181 38.9402 175.3296 332 D 4.4724 8.2887 127.0539 51.4456 42.0847 174.7029 333 P 3.8150 0.0000 0.0000 64.8242 31.4376 176.6658 334 T 4.2147 7.4601 108.8418 61.5826 68.7058 174.8894 335 R 4.2840 7.2440 121.9936 54.0120 31.0061 172.7154 336 P 4.1766 0.0000 0.0000 62.5746 31.8987 176.8034 337 F 4.5327 8.5511 121.3939 57.7859 39.5797 175.1686 338 S 4.8349 8.9801 118.7255 55.6084 67.4645 174.6953 339 E 3.8340 8.8259 121.9304 59.7032 29.1430 178.8887 340 A 4.0508 7.9438 120.3824 54.9662 18.4894 179.5791 341 S 4.1765 8.0080 112.5171 61.5174 63.3538 176.3566 342 M 4.0526 8.4031 122.0805 58.7277 32.1433 177.8418 343 M 4.1127 7.9499 118.0355 58.5853 32.3273 178.4630 344 G 3.6154 8.1044 105.9845 47.6408 0.0000 175.7009 345 L 4.0718 8.3031 121.9048 57.6789 41.7057 179.7393 346 L 3.9346 8.0583 119.1553 57.8132 41.5040 179.5537 347 T 4.0949 7.9202 109.4671 64.4061 69.0762 176.5393 348 N 4.3035 8.3236 120.0482 56.2750 38.9741 176.6548 349 L 3.9610 8.1167 121.5105 58.1988 42.3057 178.6227 350 A 4.2476 8.1283 120.7280 55.3972 18.0571 179.0206 351 D 4.2690 8.0818 115.3833 57.7403 41.6080 178.5435 352 R 4.1386 7.9898 118.0048 59.1822 29.9521 178.8949 353 E 4.0980 8.4116 118.6247 59.2741 29.3642 179.2523 354 L 4.0424 8.1087 119.2449 57.7519 41.3003 179.7025 355 V 3.5996 7.4631 117.6778 66.3741 31.3913 177.8902 356 H 4.2925 8.2113 115.5300 58.8291 28.5968 177.3047 357 M 4.1947 8.4433 120.5846 58.7085 31.5554 178.3588 358 I 3.7872 8.1282 120.1837 64.5288 37.0657 178.1341 359 N 4.5275 7.8629 115.9220 55.4686 38.5970 177.1452 360 W 4.2521 8.5429 130.2778 60.2923 30.7900 177.7762 361 A 2.6214 8.1847 120.8154 54.7833 17.4783 179.5142 362 K 3.9100 7.2465 114.6374 59.3920 32.1996 178.5491 363 R 4.4609 7.4240 115.3745 54.8157 30.6246 176.4294 364 V 3.5095 6.9858 121.0811 61.2457 31.5256 173.4082 365 P 4.2144 0.0000 0.0000 64.6204 31.8842 175.3443 366 G 4.1611 9.0890 110.3529 46.6293 0.0000 175.3026 367 F 4.0032 8.5477 121.9789 61.3998 39.3176 177.2763 368 V 3.8333 7.7340 110.3542 62.9646 31.2010 176.6240 369 D 4.4623 7.8686 119.7522 55.5244 41.1012 176.5913 370 L 4.1509 7.2122 119.4605 53.8098 42.5525 177.4493 371 T 4.0054 7.8961 111.1951 61.3401 70.8257 175.0210 372 L 3.8835 8.4460 123.8569 58.9641 42.0203 179.0971 373 H 4.1878 8.2089 115.3476 59.1130 28.6487 177.4002 374 D 4.4624 8.0229 120.6081 57.2958 40.6137 178.6598 375 Q 3.7392 8.2240 118.9756 58.9231 28.6644 179.1049 376 V 3.6580 7.8911 118.9816 66.4324 31.3495 177.3648 377 H 4.1577 8.0546 116.2475 59.3370 29.7791 176.7605 378 L 4.1785 8.1123 119.4126 57.9992 41.9302 179.2528 379 L 4.3800 8.2420 118.8239 57.7414 41.2765 179.8923 380 E 4.3339 8.3132 114.2578 57.2011 29.5945 177.8291 *382 A 4.3001 7.9658 122.0311 51.1390 20.8312 179.3652 383 W 4.3721 8.2302 114.2198 59.6768 27.8752 178.2130 384 L 3.4221 6.4032 120.4201 57.3091 41.3572 178.4667 385 E 3.8440 7.7812 118.2003 59.2751 29.3701 179.2854 386 I 3.6659 7.7988 119.8960 64.2266 37.1649 178.3588 387 L 3.9947 7.8975 119.8472 58.1401 41.4156 179.6016 388 M 3.9507 8.2022 118.7476 58.3718 31.9186 178.6693 389 I 3.8553 8.1363 119.1946 63.8947 38.0565 178.1731 390 G 3.7607 8.2234 106.7745 47.6611 0.0000 175.2750 391 L 3.7626 7.9765 123.1573 57.9887 41.8568 179.5779 392 V 3.3787 7.5572 110.8375 63.8298 31.7043 177.9415 393 W 4.5588 8.2109 128.1236 60.8758 30.2487 178.3192 394 R 3.5897 7.8526 116.2413 58.6449 29.6639 178.3104 395 S 4.3632 7.4934 112.8998 58.8933 62.9415 175.6145 396 M 4.0732 7.5240 122.8314 57.4022 31.9025 176.2307 397 E 4.3970 7.4904 114.0267 56.3884 30.4041 176.3845 398 H 4.7723 7.9542 117.2635 53.0418 29.0607 170.4166 399 P 4.3482 0.0000 0.0000 64.0019 31.9558 177.4350 400 G 4.0006 8.9517 109.8959 45.3247 0.0000 173.1410 401 K 4.8972 7.8820 117.9082 54.4319 35.9294 175.5695 402 L 4.1927 8.7261 123.3186 53.0635 43.6034 176.0231 403 L 4.2628 8.4896 128.7145 53.4807 39.7629 175.9471 404 F 4.0144 8.4778 121.3964 59.3701 39.6393 175.4062 405 A 4.6700 7.9412 120.8708 49.4844 22.2078 174.9829 406 P 4.0843 0.0000 0.0000 65.0086 31.3571 177.4284 407 N 4.9255 7.8727 112.8928 52.4091 37.8614 175.0956 408 L 4.5189 8.1753 122.5760 53.7346 43.7307 172.9295 409 L 5.1601 8.2926 122.8084 52.5756 43.5951 175.4022 410 L 5.0622 8.9857 124.4590 53.0521 44.8289 176.5252 411 D 5.0427 9.6993 123.4505 53.2013 42.0982 177.9278 412 R 3.9972 8.5140 117.7558 59.6875 29.4746 178.3067 413 N 4.3750 8.1072 116.6583 56.2870 38.3167 177.1961 414 Q 3.9102 7.8266 118.2443 58.6313 28.9324 178.4398 415 G 2.6983 7.2625 105.8292 46.4505 0.0000 175.1464 416 K 4.1320 6.8765 121.7922 54.7095 28.6774 177.1178 *418 V 3.7826 7.0176 119.2431 62.0616 33.0065 174.1947 419 E 4.1529 8.6708 125.7262 57.5178 29.8332 177.7424 420 G 3.9845 8.8132 109.9008 46.4811 0.0000 174.3436 421 M 3.9982 7.7670 119.0386 57.5168 32.1879 178.2728 422 V 3.5041 7.5708 119.2441 64.7739 31.4250 178.0796 423 E 3.9654 8.1252 118.6695 59.1030 29.2871 179.2229 424 I 3.7905 7.7197 119.6694 64.1784 37.2971 178.2016 425 F 3.9572 8.4016 118.7281 60.6663 38.7448 177.2085 426 D 4.4217 8.4442 118.6695 57.9823 40.7056 179.0787 427 M 4.0607 7.8781 118.8016 58.2904 31.8968 178.9026 428 L 3.8873 7.8042 119.2769 57.5603 41.8016 179.4152 429 L 3.8675 8.3974 119.1491 57.6990 41.5603 179.4309 430 A 3.9823 8.1444 120.7895 55.4187 18.2865 179.8772 431 T 3.6956 7.6453 113.8972 66.6016 68.3076 176.9672 432 S 3.8028 7.8377 115.1584 61.3409 62.2992 176.3916 433 S 4.1051 8.0390 117.9407 61.5043 62.5421 176.6535 434 R 3.9194 8.0865 121.4575 59.3813 29.8394 178.5433 435 F 4.4102 8.4404 117.6889 60.6230 39.0074 177.5496 436 R 3.9091 8.2024 118.2256 59.7221 29.6791 178.3166 437 M 4.0731 8.0304 117.2319 58.8210 32.1734 178.2319 438 M 4.2064 8.0958 115.2643 54.9772 33.2321 175.4913 439 N 4.0916 7.8595 116.8860 53.7654 37.9760 174.3329 440 L 4.0520 7.8594 118.7002 55.9078 43.1719 176.6933 441 Q 4.7610 9.1482 125.1341 54.6106 31.5133 177.0574 442 G 3.5915 8.9601 109.6861 48.4264 0.0000 175.8951 443 E 4.0120 8.0934 120.0796 58.9834 29.5364 179.1808 444 E 3.8927 7.8870 118.3706 59.1008 29.6022 178.6113 445 F 3.8520 8.0836 121.1068 61.5350 39.2827 177.7166 446 V 3.0185 7.4829 111.6178 64.1559 31.1477 178.3831 447 C 4.0391 7.5542 115.7091 62.8118 28.0101 176.1582 448 L 3.9183 7.6987 120.4415 57.6513 41.2913 179.4989 449 K 3.8246 7.7833 119.6222 59.5960 32.1153 179.0910 450 S 4.3264 8.1006 115.4399 61.5019 62.6572 176.5275 451 I 3.7128 8.1182 123.0262 64.4518 36.8592 178.4951 452 I 3.6731 7.9026 120.4953 64.1667 36.7314 177.9023 453 L 3.9980 7.5778 119.3814 58.6280 41.9884 178.9468 454 L 4.2272 7.7183 116.5142 57.0027 41.8330 178.1810 455 N 4.4283 8.3501 116.9315 55.5988 38.9788 177.2305 456 S 4.0832 8.0167 116.0309 60.6481 63.3369 175.1366 457 G 3.8247 7.7042 106.8132 44.8623 0.0000 175.3972 458 V 3.0889 6.9800 119.7760 63.7195 31.3115 176.5938 459 Y 4.9967 7.2916 116.9004 57.9082 38.2280 175.8979 460 T 4.7757 7.5928 110.2054 61.9146 70.6409 174.0334 461 F 3.8741 8.4475 116.1435 59.5640 38.7717 177.6593 *470 E 4.3307 9.0811 130.3839 56.8051 30.3516 177.7415 471 E 4.1510 8.5463 114.0625 57.9432 29.5936 178.7612 472 K 3.9963 7.8334 121.4360 59.6726 32.5383 177.9149 473 D 4.4279 8.1699 118.4091 57.3598 41.0627 177.7244 474 H 4.2199 8.0810 118.6546 59.1982 29.8594 177.0305 475 I 3.6353 7.5844 121.3110 64.8516 36.9597 178.1601 476 H 4.2961 8.0066 116.8526 58.6038 28.4944 178.1220 477 R 3.9914 7.9472 119.8846 59.0155 29.8551 179.1849 478 V 3.5393 7.7578 118.2171 65.7925 31.4519 177.8925 479 L 3.9649 8.1084 119.0214 58.1603 41.4501 179.2858 480 D 4.3654 8.1799 118.5075 57.3971 40.7483 179.0329 481 K 3.9497 8.0690 118.9344 59.5113 31.9417 179.5176 482 I 3.7450 7.7390 120.1325 64.4583 37.0349 178.3046 483 T 3.8659 8.1061 116.8787 67.0567 68.3670 176.1787 484 D 4.4095 8.3101 120.5419 57.7085 40.7225 179.1279 485 T 3.9143 7.9114 116.2561 66.5067 68.4558 176.7779 486 L 3.9692 8.1280 121.0579 57.8756 41.6108 179.6821 487 I 3.7115 7.8086 119.7394 64.4956 37.0539 177.8615 488 H 4.0813 8.2951 119.0443 59.3437 29.5571 177.0240 489 L 3.9721 8.1178 120.7858 58.4135 41.5635 179.6337 490 M 4.0734 8.0806 118.1139 58.1290 31.9542 178.7056 491 A 3.9844 8.4048 121.5713 54.9677 18.3326 179.5554 492 K 3.9519 7.9613 116.8027 58.7561 32.3621 178.0139 493 A 4.3565 7.4311 119.0238 52.2399 18.8791 177.8609 494 G 3.9368 7.6402 105.5150 44.7810 0.0000 174.2404 495 L 4.3046 7.3376 119.2902 54.4012 42.2294 177.7212 496 T 4.2340 8.9029 113.7370 60.9202 71.0559 175.9091 497 L 3.8399 8.2796 120.3191 57.9597 41.6143 179.3896 498 Q 4.0004 8.0606 118.8125 59.5542 28.9186 178.3947 499 Q 4.0338 7.8871 118.4939 58.9114 28.6960 178.9166 500 Q 3.9336 8.3126 119.3500 59.4526 28.8141 178.6072 501 H 4.3336 8.1067 117.0888 58.8755 28.6493 178.0177 502 Q 4.0314 8.2282 120.1225 58.8795 28.5685 178.5950 503 R 4.2970 8.2599 121.3868 58.4288 30.0894 178.1220 504 L 3.9175 8.0523 120.1337 58.2280 42.0072 178.8918 505 A 4.0053 8.0042 120.4929 55.3675 18.2037 179.5492 506 Q 3.9665 8.1140 116.5323 59.1405 28.7507 179.2537 507 L 4.0381 8.0980 119.9999 57.7952 41.5864 179.4665 508 L 4.2205 8.0009 118.7376 57.3788 41.4426 179.3999 509 L 4.1293 8.3582 119.6701 57.3072 41.4543 179.1168 510 I 4.0273 7.5855 111.4080 63.3248 37.4629 178.1788 511 L 4.0174 7.7418 121.4233 57.6433 41.3540 179.1152 512 S 4.0702 7.9265 113.4544 61.7126 62.2538 175.9529 513 H 4.2923 8.0517 118.4306 58.6088 28.5405 177.6336 514 I 3.6697 8.0976 122.0323 64.2395 36.9267 178.2409 515 R 3.8152 8.2421 119.8276 59.6818 29.8008 177.7743 516 H 4.0609 8.1050 117.7763 59.8125 29.8274 176.9698 517 M 3.9432 8.1817 120.3183 58.3220 31.7385 178.7319 518 S 3.8721 8.1599 113.2467 61.3422 62.4910 175.6668 519 N 4.2142 8.3815 119.5204 56.4956 38.3662 177.4888 520 K 4.0177 8.1906 119.7529 59.5060 32.1009 179.7263 521 G 3.6615 8.5535 106.2739 47.9642 0.0000 175.4099 522 M 4.0761 8.1329 120.4480 58.5258 32.3395 178.2369 523 E 4.0892 8.0818 118.6359 59.4302 29.6002 178.8320 524 H 4.2000 8.3204 118.5263 59.0408 29.9062 177.0275 525 L 3.9502 8.3508 122.5892 58.4866 41.7485 178.3316 526 Y 4.0952 8.0243 118.3457 60.7255 38.7701 177.9465 527 S 4.1668 7.9811 114.1943 61.4803 63.0157 176.0896 528 M 4.1919 7.8654 122.4769 57.6445 31.5125 178.7337 529 K 3.8856 7.8316 116.4174 57.1765 31.8815 178.0170 *531 K 4.0543 7.9653 118.7771 54.2453 33.8184 174.6361 532 N 4.1361 7.6230 115.6153 54.8059 37.8092 175.5221 533 V 3.7792 7.5838 117.8499 65.2232 32.0171 176.2282 534 V 4.5164 7.2087 115.9349 59.0615 34.1179 172.5069 535 P 4.2867 0.0000 0.0000 62.7301 31.5375 176.0190 536 L 4.3998 8.3041 123.7627 53.6686 42.8558 177.6598 537 S 4.3251 8.4395 118.9044 58.5361 64.8640 175.4111 538 D 4.3192 8.5339 123.8052 57.4515 40.5641 178.9577 539 L 3.8569 7.7630 120.3197 57.9885 42.1448 178.5103 540 L 3.5502 7.7381 119.7448 58.0274 42.0171 178.6712 541 L 3.9848 8.0088 118.9081 58.0321 41.6807 179.4793 542 E 4.0503 8.2163 118.3680 59.6368 29.1295 179.3581 543 M 3.9300 7.8422 118.2459 57.9326 32.0531 178.3259 544 L 4.4506 8.0186 120.7707 58.3925 42.4967 178.6366 545 D 4.5737 8.7538 118.4052 56.5302 40.5521 178.2220 546 A 4.1825 7.8698 120.1927 54.4629 18.4302 178.1665 547 H 4.6370 8.1213 112.8916 56.0740 29.3712 175.2117 548 R 4.1328 7.7072 125.8808 56.4442 30.2988 174.2271 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 305 S 8.33 4.37 0.00 3.83 3.69 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 0.00 306 L 8.28 4.56 0.00 1.83 1.59 0.91 0.62 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 0.00 307 A 8.38 4.03 1.32 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 0.00 0.00 0.00 308 L 7.90 4.23 0.00 1.66 1.74 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 309 S 7.81 4.70 0.00 3.97 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 0.00 310 L 7.26 4.42 0.00 1.84 1.61 0.96 0.77 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 0.00 311 T 9.26 4.08 4.22 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 1.28 0.00 0.00 312 A 8.40 3.94 1.09 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 0.00 313 D 7.91 4.33 0.00 2.76 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 0.00 314 Q 7.90 4.02 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 315 M 8.47 3.95 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 316 V 7.78 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 317 S 8.16 4.09 0.00 3.92 3.90 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 0.00 318 A 8.13 3.99 1.36 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 0.00 0.00 319 L 7.84 3.96 0.00 1.76 1.76 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 320 L 8.19 4.18 0.00 1.92 1.75 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 321 D 8.32 4.43 0.00 2.90 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 0.00 322 A 7.95 4.28 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 0.00 323 E 7.63 4.02 0.00 2.20 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 2.67 2.51 0.00 324 P 0.00 4.59 0.00 2.17 2.13 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 325 P 0.00 4.54 0.00 2.21 2.13 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 326 I 8.04 4.18 1.83 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 1.41 0.59 0.79 0.00 0.00 327 L 8.21 4.63 0.00 1.66 1.66 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 328 Y 8.44 4.30 0.00 2.97 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 0.00 329 S 8.69 4.65 0.00 4.10 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 0.00 330 E 8.66 4.43 0.00 2.04 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 0.00 2.32 2.26 0.00 331 Y 7.27 4.19 0.00 2.95 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 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1.38 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 0.00 0.00 0.00 341 S 8.01 4.18 0.00 4.19 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 0.00 342 M 8.40 4.05 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 343 M 7.95 4.11 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 344 G 8.10 3.62 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 0.00 0.00 0.00 345 L 8.30 4.07 0.00 1.89 1.77 1.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 346 L 8.06 3.93 0.00 1.62 1.58 0.67 -0.41 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 0.00 347 T 7.92 4.09 4.28 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 0.00 0.00 0.00 1.32 0.00 0.00 348 N 8.32 4.30 0.00 2.96 2.94 0.00 0.00 6.76 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0.00 3.20 3.34 0.00 5.87 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 0.00 374 D 8.02 4.46 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.74 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 1.16 2.17 0.00 376 V 7.89 3.66 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 nan 0.00 0.00 1.00 0.00 0.00 377 H 8.05 4.16 0.00 3.34 3.77 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 378 L 8.11 4.18 0.00 2.19 2.01 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 379 L 8.24 4.38 0.00 2.08 1.86 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 380 E 8.31 4.33 0.00 2.08 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 0.00 2.40 2.55 0.00 *382 A 7.97 4.30 1.41 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 399 P 0.00 4.35 0.00 2.01 1.97 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 400 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.90 0.00 1.67 1.64 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.52 7.81 402 L 8.73 4.19 0.00 1.30 0.67 0.06 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 403 L 8.49 4.26 0.00 1.38 1.37 0.67 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 404 F 8.48 4.01 0.00 3.17 3.07 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 0.00 405 A 7.94 4.67 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 0.00 406 P 0.00 4.08 0.00 1.51 1.97 0.00 2.87 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 1.22 1.79 0.00 407 N 7.87 4.93 0.00 3.06 3.22 0.00 0.00 5.71 7.79 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 0.00 408 L 8.18 4.52 0.00 1.76 1.58 0.58 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 409 L 8.29 5.16 0.00 1.52 1.56 0.84 0.85 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 0.00 410 L 8.99 5.06 0.00 1.98 1.93 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 411 D 9.70 5.04 0.00 2.80 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 0.00 412 R 8.51 4.00 0.00 1.98 2.12 0.00 3.05 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 413 N 8.11 4.38 0.00 2.75 2.87 0.00 0.00 7.17 7.37 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 0.00 414 Q 7.83 3.91 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.09 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 415 G 7.26 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 442 G 8.96 3.59 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 0.00 0.00 0.00 443 E 8.09 4.01 0.00 2.05 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 2.41 2.46 0.00 444 E 7.89 3.89 0.00 2.07 1.89 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 2.35 2.32 0.00 445 F 8.08 3.85 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 V 7.48 3.02 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 0.77 0.00 0.00 0.92 0.00 0.00 447 C 7.55 4.04 0.00 3.08 2.92 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 0.00 448 L 7.70 3.92 0.00 1.72 1.67 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 449 K 7.78 3.82 0.00 1.14 1.51 0.00 0.93 0.00 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2.40 2.48 0.00 507 L 8.10 4.04 0.00 1.84 1.69 0.88 0.39 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 0.00 508 L 8.00 4.22 0.00 1.73 1.73 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 509 L 8.36 4.13 0.00 1.77 1.77 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 510 I 7.59 4.03 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.83 1.06 0.00 0.00 511 L 7.74 4.02 0.00 1.99 1.78 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 512 S 7.93 4.07 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 H 8.05 4.29 0.00 3.45 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 I 8.10 3.67 2.03 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 1.39 0.70 0.90 0.00 0.00 515 R 8.24 3.82 0.00 1.97 2.11 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 516 H 8.11 4.06 0.00 3.38 3.50 0.00 5.84 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 0.00 517 M 8.18 3.94 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 518 S 8.16 3.87 0.00 3.73 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 0.00 519 N 8.38 4.21 0.00 2.88 2.82 0.00 0.00 7.10 6.82 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 0.00 520 K 8.19 4.02 0.00 1.79 1.81 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.45 7.81 521 G 8.55 3.66 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 0.00 0.00 0.00 522 M 8.13 4.08 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 523 E 8.08 4.09 0.00 2.17 2.03 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 2.31 2.45 0.00 524 H 8.32 4.20 0.00 3.23 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 L 8.35 3.95 0.00 2.03 1.94 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 526 Y 8.02 4.10 0.00 3.07 3.20 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 0.00 527 S 7.98 4.17 0.00 4.10 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 M 7.87 4.19 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 529 K 7.83 3.89 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.41 7.81 *531 K 7.97 4.05 0.00 1.98 1.82 0.00 1.96 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.40 7.81 532 N 7.62 4.14 0.00 2.76 2.81 0.00 0.00 7.10 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 V 7.58 3.78 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 0.88 0.00 0.00 0.90 0.00 0.00 534 V 7.21 4.52 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 0.78 0.00 0.00 0.97 0.00 0.00 535 P 0.00 4.29 0.00 2.06 2.05 0.00 3.67 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 2.03 2.10 0.00 536 L 8.30 4.40 0.00 1.63 1.59 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 537 S 8.44 4.33 0.00 3.95 3.77 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 0.00 538 D 8.53 4.32 0.00 2.66 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 0.00 539 L 7.76 3.86 0.00 1.70 1.74 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 540 L 7.74 3.55 0.00 1.70 1.73 0.71 0.68 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 0.00 541 L 8.01 3.98 0.00 1.96 1.71 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 542 E 8.22 4.05 0.00 2.08 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 0.00 2.32 2.33 0.00 543 M 7.84 3.93 0.00 0.51 1.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.43 0.00 544 L 8.02 4.45 0.00 2.07 1.93 1.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 545 D 8.75 4.57 0.00 2.82 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 0.00 546 A 7.87 4.18 1.44 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 0.00 547 H 8.12 4.64 0.00 3.39 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 7.71 4.13 0.00 1.58 1.60 0.00 2.93 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 * Residues marked with a * may have inaccurate shift predictions.