NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 319 D 4.7736 8.3644 119.5497 53.0944 41.5892 173.5676 320 I 4.2317 8.3887 120.9843 58.5358 42.3032 172.2139 *322 G 3.9475 9.1307 111.8970 45.6104 0.0000 171.4052 323 F 4.5819 8.6925 119.0975 57.0569 39.9855 175.0971 324 V 4.0258 8.2770 124.2582 60.7793 33.1792 175.0813 325 F 3.8778 8.3848 127.6165 56.9580 40.1147 174.9028 326 N 4.7318 9.4132 124.0070 53.3914 37.2228 175.4365 327 T 4.4835 8.7018 121.7645 65.2945 68.8363 176.4625 328 R 4.0792 7.9143 120.4373 58.5028 30.5711 177.3503 329 R 4.3464 7.9401 117.6089 55.1236 31.4360 177.4936 330 T 3.8364 8.5227 112.0856 64.8191 68.7664 176.2451 331 L 3.6086 7.6309 120.5605 56.6636 41.5366 177.7659 332 F 5.0413 7.6628 117.7008 57.7012 39.3845 177.3928 333 K 4.1341 8.0526 124.9067 56.6171 31.9486 180.6752 334 D 4.9606 7.9657 119.8961 53.4091 43.1197 177.7876 335 K 3.9016 8.5671 131.5467 59.8680 31.7708 176.2574 336 R 4.1329 8.1303 117.7562 59.1040 29.8386 179.3046 337 V 3.4860 7.6505 117.6491 66.1845 31.6876 178.1522 338 R 3.0877 7.5018 117.2634 58.8839 29.6738 178.8763 339 Q 3.9960 8.1997 119.2205 59.0434 29.0938 178.1625 340 A 4.0449 8.3021 122.1477 55.3756 18.2683 179.6841 341 L 4.1770 8.2131 116.5440 57.8393 41.5608 179.2568 342 S 4.4454 8.5976 113.3151 61.7593 62.1392 176.4297 343 I 3.8609 7.7265 120.9721 64.4466 36.9435 178.2390 344 L 4.2333 8.0177 118.7002 56.2148 41.6940 177.3955 345 F 4.6096 7.6671 121.1584 57.7485 39.5895 175.1762 346 D 4.6181 7.8097 127.3205 52.4863 41.1366 176.2031 347 F 4.1194 7.9935 128.9657 60.7534 39.6862 176.3055 348 E 3.6570 8.0775 116.9622 58.7496 29.3562 178.6982 349 W 3.9277 8.9711 129.6758 60.3144 30.7241 177.9442 350 V 3.6972 7.5721 116.8080 66.2408 31.0201 177.5065 351 N 4.3727 8.3699 119.3693 57.3899 38.4354 176.9553 *352 H 4.2648 7.6482 119.1382 58.8991 28.3773 178.6943 353 H 4.3967 7.9738 119.2457 57.0131 28.9168 176.6969 354 L 4.2598 7.5310 119.2197 53.8118 42.8603 180.0793 355 F 5.1776 7.3968 116.4989 56.8686 40.5383 175.0177 356 N 4.8567 8.4144 115.9981 52.6900 37.9201 172.6078 357 N 4.5910 8.1390 113.4325 54.9617 36.7728 176.0014 358 I 3.7829 7.1256 110.5235 62.2694 38.0217 175.1572 359 Y 4.8274 7.1580 118.1407 56.4912 40.3463 174.5900 360 T 4.8188 8.2305 115.1752 60.0108 70.6506 173.0858 361 R 3.8833 8.7934 129.2952 56.7262 30.3720 175.8904 362 T 4.2186 9.1860 124.2234 63.7101 69.4200 174.1442 363 E 4.4948 10.1971 124.6062 57.5822 32.2788 176.1661 364 G 4.2993 8.2608 108.8464 45.4243 0.0000 172.7645 365 Y 4.1426 9.0631 117.3224 57.6243 40.1078 175.7088 366 W 5.0456 7.8377 118.7347 55.2902 30.0553 175.6048 367 D 4.3686 8.1111 117.7420 55.9292 41.0264 177.3537 368 G 3.8983 8.9709 112.4003 46.7700 0.0000 172.9886 369 S 4.7596 7.7275 111.4251 55.7086 65.8519 174.2198 370 I 3.8433 8.3889 123.8988 63.4351 37.8359 176.7678 371 L 4.1614 8.7413 119.7509 55.8506 41.8899 177.2186 372 S 4.4701 7.8791 114.1737 58.3007 63.0923 173.8061 373 S 4.6742 8.8459 119.5000 58.2157 63.7164 176.1377 374 I 3.9355 7.7006 122.0707 64.5320 36.8442 177.6591 375 G 4.2458 8.0879 105.9711 44.6656 0.0000 172.8007 376 K 4.7002 7.5168 115.9167 54.1136 35.6912 174.3145 377 P 4.5617 0.0000 0.0000 60.9128 32.2319 176.2613 378 A 4.2628 8.3872 124.4439 52.2368 18.9253 178.6165 379 S 4.4795 9.0176 120.6764 58.4867 65.2818 176.0989 380 E 4.0650 8.8172 123.8935 62.0095 29.3291 180.2303 381 E 4.2283 8.0806 118.4093 60.9913 29.8117 181.1793 382 E 4.1753 8.1332 121.7727 59.8810 29.6501 180.1495 383 K 3.9062 8.4203 123.8184 59.9308 31.4642 180.7218 384 A 4.2306 8.3174 121.3397 54.9209 18.3574 179.4194 385 L 4.0987 8.1084 117.1583 57.7606 41.9618 179.1568 386 L 4.4454 8.3496 117.7652 55.8601 41.6060 178.7051 387 A 3.9706 7.5773 120.5667 55.0065 18.3937 177.6579 388 P 4.2001 0.0000 0.0000 63.5765 32.2655 176.5730 389 Y 4.7249 8.1748 116.6920 55.2470 38.1468 174.0286 390 P 4.3180 0.0000 0.0000 64.9602 32.1835 177.9935 391 D 4.6294 7.9973 116.0283 54.4272 41.4160 177.1549 392 A 4.1215 7.8006 122.7607 54.1286 18.6127 178.2475 393 V 4.3861 7.3686 113.4039 60.6492 34.3597 174.9746 394 L 4.2575 8.5573 127.2131 53.5922 42.3287 176.0612 395 P 4.2736 0.0000 0.0000 66.2121 31.2292 177.4769 396 E 4.2904 8.3181 118.1282 58.9951 29.5033 178.1958 397 V 4.0917 7.7379 119.0861 63.1765 31.5082 176.9837 *399 D 4.3186 8.2279 118.1445 52.0624 41.0667 176.6331 400 G 4.0986 7.8367 107.9784 45.6000 0.0000 174.4812 401 S 4.2208 8.8025 115.8208 60.5470 62.5900 174.8594 402 W 4.2514 8.1213 131.3653 58.7460 30.7861 175.7743 403 R 4.3430 7.2029 121.6559 53.7578 32.9208 172.6058 404 I 3.2316 7.3024 120.9966 60.2889 38.5538 176.1145 405 S 4.1569 8.4776 124.0448 58.7099 63.6197 174.2181 406 K 4.7897 8.3851 124.3522 52.9576 34.6933 173.0112 407 T 4.6830 8.3055 110.1764 61.7441 71.2769 175.5961 408 D 4.7453 8.4189 122.3764 52.1016 40.0180 178.0502 409 G 3.8921 8.6410 121.6925 46.4034 0.0000 175.5333 410 S 4.3366 9.5945 116.2354 58.5503 62.6339 177.3085 411 G 3.6182 8.6444 115.2267 43.6182 0.0000 170.7158 *413 D 4.3598 8.0305 123.0684 54.4135 42.6169 176.7836 414 R 4.1582 8.6175 126.2295 59.3925 30.3940 179.0950 415 L 4.0502 7.7796 121.9026 59.3526 40.7884 181.1496 416 N 4.4472 8.2381 117.6227 56.7822 38.8870 176.4441 417 A 4.1310 7.8716 123.4921 55.9166 18.3858 180.4030 418 Q 4.1141 7.9751 118.8690 60.4259 28.3072 182.0106 419 K 4.1688 7.9956 120.2824 59.2550 32.0254 179.2962 420 A 4.0540 7.8378 120.4847 54.9166 18.3860 179.2735 421 W 4.6396 8.6094 129.4478 61.4228 30.5080 178.6550 422 K 3.6768 8.1940 123.4112 60.0229 30.9382 180.7495 423 L 4.2088 7.9398 120.3272 57.5230 41.4138 179.7224 424 L 4.0398 8.2566 119.2775 57.6914 41.5710 179.3710 425 Q 4.0429 7.5956 119.3786 58.4199 28.3652 178.7585 426 E 3.9602 7.5922 117.8852 59.2632 29.6154 178.5291 427 A 4.4450 7.4973 117.6387 52.3771 18.7901 178.0139 428 G 3.8453 8.1057 106.2760 44.9025 0.0000 173.7629 429 F 4.8493 8.7546 119.5821 57.0077 40.8455 174.9882 430 T 5.0781 9.0298 111.6336 60.3845 73.0377 172.1601 431 K 5.2015 8.8888 119.9497 54.4742 34.9501 176.0572 432 K 4.4410 8.8679 125.3835 55.6372 34.4142 175.7515 433 N 4.1353 9.7818 124.5322 54.5839 36.0467 174.4409 434 N 4.2981 8.5719 114.4224 54.2965 38.1608 173.5135 435 R 4.8734 7.8356 117.8297 54.9844 32.5999 179.7902 436 L 4.7191 8.7246 126.7196 54.5718 43.6348 175.7787 437 I 5.2241 9.3333 125.8554 59.3736 41.3137 175.3721 438 A 3.3404 9.1191 129.7138 50.5134 18.9014 176.7650 439 P 4.2870 0.0000 0.0000 65.2663 31.0858 176.9207 440 N 4.5330 7.8979 114.5515 52.2760 37.4737 176.0796 441 G 3.9299 8.4776 110.7078 46.3090 0.0000 175.0337 442 L 4.2663 8.3083 122.9318 54.2937 42.0433 180.5644 443 P 4.8645 0.0000 0.0000 61.9368 32.7585 176.9818 444 F 4.8047 9.4511 126.7771 57.9347 38.6772 173.0427 445 Q 5.3209 8.5296 121.2670 54.1781 31.6720 174.2120 446 F 5.1579 8.7144 116.4600 56.0670 42.2799 172.0861 447 E 5.0563 10.4141 120.6287 54.8504 32.1135 175.2078 448 I 4.9120 9.0258 128.6891 59.8413 40.9196 174.3607 *450 T 4.5405 8.1939 111.6738 62.4961 69.6984 174.5457 451 Q 4.0650 8.5305 119.7047 56.3993 30.2646 176.5770 452 S 4.7511 7.3204 111.8415 55.5538 67.4210 174.5949 453 L 3.9450 8.4751 122.6986 58.2313 41.1937 179.5586 454 E 4.0910 8.1390 118.7249 59.1356 29.6771 178.5603 455 E 4.0002 7.8333 118.0147 59.0721 29.4680 178.6566 456 E 3.9530 8.4126 119.5684 59.2906 29.7329 178.8576 457 K 3.9508 8.1517 118.4054 59.7637 32.2000 179.4742 458 V 3.8517 7.7184 118.1537 66.0406 31.4035 177.9569 459 A 4.4507 8.8811 120.9737 55.2240 18.3221 179.6586 460 L 3.9554 8.5276 117.8539 57.7229 41.7030 179.4727 461 A 3.8832 8.3123 120.9128 55.0469 18.3416 179.4152 462 F 4.6767 8.6369 119.2373 61.5458 39.4083 176.8209 463 Q 3.6433 8.3362 119.5167 59.3540 28.5219 178.6273 464 S 3.9423 7.5370 111.8856 61.4838 62.8426 175.3650 465 N 4.3811 7.8785 118.6119 56.5274 38.3322 177.3156 466 L 3.9938 7.6669 120.0773 57.3363 41.6522 179.2211 467 S 4.2776 8.1286 117.1448 61.3881 62.0402 176.9845 468 R 4.0036 7.4139 121.0391 60.0198 29.0252 179.7451 469 L 4.5855 7.4818 115.1652 54.9943 42.4454 177.0740 470 G 3.8200 8.2734 106.3089 45.7936 0.0000 173.0910 471 I 4.5454 7.5634 121.3944 60.0803 38.9186 174.2264 472 H 4.5463 8.7499 127.1912 54.6488 31.1978 173.2986 473 A 3.9981 7.8789 128.2772 49.9499 20.3248 175.4125 474 E 4.0959 8.9822 125.2816 55.6070 31.1327 175.1014 475 I 4.8790 8.2654 127.9252 60.1080 38.5236 175.2070 476 R 4.7706 9.2566 126.4289 54.5739 32.9180 175.3437 477 T 5.4377 8.4984 118.9481 61.1278 71.1290 173.5774 478 V 4.6331 8.4281 120.6206 59.6892 35.9734 175.4214 479 D 4.6481 8.4860 120.1095 52.9311 40.7690 175.1169 480 D 4.4093 8.6686 116.6343 58.6523 41.1330 178.0248 481 S 4.1174 8.1808 115.2450 61.9233 62.7695 176.2786 482 Q 3.9754 8.1202 121.1168 59.5244 28.7926 177.6482 483 Y 4.0137 8.3305 120.6130 61.0718 38.9018 178.3117 484 Q 4.0072 8.8821 119.1684 58.7342 28.5543 178.1023 485 N 4.2960 8.3283 117.9107 56.8270 39.2201 176.8673 486 R 4.1432 8.2963 119.6877 58.8502 29.9856 178.7271 487 L 4.2598 7.7534 118.4211 57.8109 41.7579 180.6687 488 G 3.6350 7.7319 102.0982 45.2005 0.0000 174.1693 *490 F 4.8778 7.8578 117.0781 57.0579 40.6259 176.0440 491 N 4.6685 8.2620 120.8527 51.0541 37.1543 173.3104 492 Y 4.8785 6.6808 117.1674 56.1011 40.8780 176.0076 493 D 4.5489 8.3430 119.0010 56.6441 41.6749 176.3425 *495 I 4.2458 7.3629 111.8792 60.7229 39.6077 174.4708 496 I 4.3964 8.1531 122.9479 60.0191 37.5333 175.7374 497 G 4.0516 8.3508 114.9911 43.8967 0.0000 172.1259 498 K 5.0604 8.3049 120.5855 54.8218 35.9059 175.4279 499 L 4.6184 9.4009 126.1062 53.1933 44.5260 176.8457 500 K 4.2346 8.7145 126.2977 54.2241 31.3060 173.0952 501 N 4.4938 8.6593 125.2695 53.2012 39.1624 177.2439 502 S 4.5594 8.3628 117.8912 57.5578 64.1238 172.4277 503 L 4.2242 8.6348 117.9115 59.5880 42.0722 177.6938 504 S 5.0166 7.6574 112.9368 55.3731 66.0762 172.2426 505 P 4.8378 0.0000 0.0000 63.2106 32.4518 175.7101 506 G 4.2266 9.2733 113.9321 44.1066 0.0000 174.3141 507 N 4.4163 9.0137 117.1425 56.1310 38.3807 176.5365 508 E 4.1093 8.2977 118.4261 59.0956 29.5269 178.9728 509 Q 4.1878 8.3131 119.6557 59.0259 28.7638 178.6249 510 I 3.7215 7.7410 120.6141 64.4635 37.0532 178.0215 511 N 4.2525 8.0998 117.2633 56.3238 38.7686 176.9086 512 R 3.8783 7.4878 120.9030 56.9391 30.1997 177.9163 513 W 4.8823 7.9304 114.7036 55.9865 31.2910 176.1198 514 S 4.6201 7.7227 112.8948 57.6403 63.4552 174.6714 515 S 4.3027 8.8997 116.5228 61.3726 62.8071 176.4519 516 A 3.9723 8.1622 123.9924 55.0179 18.1172 178.8929 517 S 4.3656 7.6451 107.7859 59.4631 63.5551 175.3704 518 R 3.8132 7.8099 122.0988 58.9609 29.8409 176.7809 519 N 4.9293 7.7035 112.4132 52.7608 39.0639 174.5911 520 L 4.6178 7.7645 119.3062 52.4064 42.9170 176.0083 521 K 3.6480 8.6267 122.9328 58.3859 32.2486 177.7035 522 G 3.8422 8.0477 112.1845 45.0592 0.0000 173.5363 523 S 4.2779 7.5775 114.2274 57.8975 63.8580 173.7435 524 F 4.0401 7.9413 115.5224 57.3387 38.8181 176.4119 525 N 5.2837 7.3908 121.3449 51.5100 36.9469 174.6438 526 F 4.9543 7.7130 119.7663 59.6465 39.9050 177.0347 527 S 5.0990 7.6996 113.2446 58.1187 63.4461 174.8997 528 G 3.7033 7.8325 108.5234 46.1266 0.0000 173.7693 529 A 3.9635 8.0616 121.6674 52.4202 18.7097 179.2944 530 S 4.5516 7.9385 114.2503 56.4266 63.8599 172.7283 531 D 4.8305 7.8943 123.0889 50.5476 45.2244 173.4105 532 P 4.2323 0.0000 0.0000 65.4936 31.0916 178.8432 533 A 2.5800 8.3119 119.3866 54.6051 18.3126 179.2967 534 I 3.5972 7.3705 116.4594 64.6284 37.4746 177.8963 535 D 4.4915 7.8368 118.9893 57.1763 40.6097 179.2676 536 A 4.1180 7.7234 118.2641 53.1214 18.4476 179.0997 *538 I 3.9860 7.6952 122.8099 63.1309 39.3702 178.4041 539 T 3.8710 8.0349 116.7082 66.4930 67.8861 176.6323 540 A 3.9694 7.7730 122.0539 54.9468 18.5129 179.4326 541 I 3.5632 7.5125 117.8169 64.6460 37.0559 178.6233 542 L 4.0868 7.7126 118.0628 57.3750 41.5172 178.4554 543 D 4.5303 7.8453 116.3724 53.8285 41.4728 176.6241 544 A 4.1393 7.2152 123.8056 52.5094 18.8460 177.0354 545 H 5.0202 8.7589 117.5293 55.0335 30.5721 174.2219 546 S 4.7389 7.5812 114.2955 55.3721 67.3351 174.1001 547 Q 3.9404 8.7288 124.1727 59.7891 28.7503 179.5873 548 V 3.5914 7.7584 118.2103 66.2641 31.6495 177.5940 549 D 4.3771 7.8991 118.5734 57.1704 40.6139 178.5842 550 F 4.0052 8.4069 121.3125 61.3026 39.4024 177.3503 551 I 3.6498 7.9867 119.3527 64.2868 36.7930 178.3430 552 A 3.9052 7.9713 121.2811 54.8293 18.1713 179.6110 553 A 3.7277 7.7823 119.4271 55.1900 18.3617 180.1085 554 V 2.8738 7.1150 116.7098 65.8713 31.6033 178.4107 555 R 3.7661 7.8000 117.6381 59.1528 29.9880 178.9274 556 A 3.8980 8.0661 120.7411 54.8469 18.3064 179.2858 557 L 3.6529 7.7155 118.8446 58.4209 42.1351 178.4416 558 D 4.4863 8.2391 118.1452 57.8889 40.8952 178.7884 559 R 3.8679 7.7277 117.8438 59.2016 30.0192 179.1657 560 I 3.6727 7.5340 119.4150 64.2135 36.4008 178.5012 561 L 3.8789 7.8275 119.9647 57.4423 41.1928 179.3435 562 I 3.6902 8.0182 120.2516 64.6858 36.8097 178.6336 563 S 4.1915 7.4499 114.1237 60.8326 62.7011 176.4912 564 G 3.1182 7.9160 107.7450 44.9620 0.0000 173.5862 565 S 3.8851 7.8423 116.5910 59.7285 61.2125 173.7124 566 Y 4.6211 7.4292 115.1305 60.6099 38.9308 176.7585 567 Y 5.1520 8.0870 112.1231 56.1973 42.1223 175.6804 568 I 4.4849 8.8764 123.8379 59.2169 38.6530 173.5938 569 P 4.5497 0.0000 0.0000 63.2590 32.2653 174.5495 570 L 4.4357 8.4657 122.4268 54.8596 42.2700 178.2285 571 Y 5.3950 8.1368 118.6003 57.5298 40.7884 174.3085 572 H 5.0036 9.2792 119.2878 54.0738 30.8910 176.3018 573 L 4.2981 8.7913 120.9951 57.6163 40.8913 178.4541 574 S 4.3780 8.0864 116.7510 59.1968 62.7393 173.9500 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 319 D 8.36 4.77 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 320 I 8.39 4.23 1.65 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.06 0.86 0.00 0.00 *322 G 9.13 3.95 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 0.00 323 F 8.69 4.58 0.00 2.50 2.44 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 0.00 324 V 8.28 4.03 1.79 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 0.77 0.00 0.00 -0.09 0.00 0.00 325 F 8.38 3.88 0.00 2.98 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 0.00 326 N 9.41 4.73 0.00 2.94 3.01 0.00 0.00 6.77 7.99 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 0.00 327 T 8.70 4.48 4.76 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 1.41 0.00 0.00 328 R 7.91 4.08 0.00 1.86 1.97 0.00 3.18 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 329 R 7.94 4.35 0.00 1.85 1.78 0.00 3.53 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 330 T 8.52 3.84 4.16 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 0.00 0.00 0.00 1.17 0.00 0.00 331 L 7.63 3.61 0.00 0.74 0.68 0.77 0.00 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 0.00 332 F 7.66 5.04 0.00 3.08 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 0.00 333 K 8.05 4.13 0.00 1.81 1.73 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 334 D 7.97 4.96 0.00 2.75 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 0.00 335 K 8.57 3.90 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 336 R 8.13 4.13 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 337 V 7.65 3.49 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 1.33 0.00 0.00 0.87 0.00 0.00 338 R 7.50 3.09 0.00 1.46 1.01 0.00 2.50 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 339 Q 8.20 4.00 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 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0.00 0.00 0.00 348 E 8.08 3.66 0.00 2.11 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 2.52 2.52 0.00 349 W 8.97 3.93 0.00 3.64 3.29 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 0.00 350 V 7.57 3.70 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 1.23 0.00 0.00 1.34 0.00 0.00 351 N 8.37 4.37 0.00 1.71 2.31 0.00 0.00 7.37 7.75 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 *352 H 7.65 4.26 0.00 3.07 2.95 0.00 7.24 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 0.00 353 H 7.97 4.40 0.00 1.55 2.22 0.00 5.58 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 0.00 354 L 7.53 4.26 0.00 1.62 1.54 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 355 F 7.40 5.18 0.00 3.18 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 0.00 356 N 8.41 4.86 0.00 2.63 2.76 0.00 0.00 6.59 6.91 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 0.00 357 N 8.14 4.59 0.00 2.81 2.87 0.00 0.00 6.86 6.78 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 0.00 358 I 7.13 3.78 1.54 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.83 0.00 0.00 359 Y 7.16 4.83 0.00 3.09 2.68 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 0.00 0.00 0.00 0.00 360 T 8.23 4.82 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 0.85 0.00 0.00 361 R 8.79 3.88 0.00 1.18 1.74 0.00 3.31 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 362 T 9.19 4.22 4.16 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 0.00 0.00 0.00 1.05 0.00 0.00 363 E 10.20 4.49 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 364 G 8.26 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.87 0.00 0.00 0.00 0.00 1.25 0.95 7.81 407 T 8.31 4.68 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 1.26 0.00 0.00 408 D 8.42 4.75 0.00 2.67 2.52 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 0.00 0.00 0.00 0.00 409 G 8.64 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 0.00 410 S 9.59 4.34 0.00 3.64 3.71 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 0.00 411 G 8.64 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 *413 D 8.03 4.36 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 414 R 8.62 4.16 0.00 1.92 1.92 0.00 3.21 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 415 L 7.78 4.05 0.00 1.69 1.65 0.92 0.52 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 0.00 416 N 8.24 4.45 0.00 2.85 2.88 0.00 0.00 7.03 8.15 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 0.00 417 A 7.87 4.13 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 0.00 418 Q 7.98 4.11 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 419 K 8.00 4.17 0.00 1.88 1.95 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.85 7.81 420 A 7.84 4.05 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 421 W 8.61 4.64 0.00 3.45 3.32 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 0.00 422 K 8.19 3.68 0.00 1.81 1.82 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.37 7.81 423 L 7.94 4.21 0.00 1.91 1.76 0.98 0.49 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 0.00 424 L 8.26 4.04 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6.84 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 510 I 7.74 3.72 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.90 0.00 0.00 511 N 8.10 4.25 0.00 2.72 2.86 0.00 0.00 7.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 512 R 7.49 3.88 0.00 1.42 0.87 0.00 3.20 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 513 W 7.93 4.88 0.00 3.18 2.99 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 0.00 514 S 7.72 4.62 0.00 3.98 3.94 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 0.00 515 S 8.90 4.30 0.00 4.02 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 0.00 516 A 8.16 3.97 1.31 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 0.00 0.00 0.00 517 S 7.65 4.37 0.00 3.87 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 0.00 518 R 7.81 3.81 0.00 1.88 2.17 0.00 3.36 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 519 N 7.70 4.93 0.00 2.77 2.81 0.00 0.00 6.85 7.73 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 0.00 520 L 7.76 4.62 0.00 1.68 1.58 0.94 0.73 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 0.00 521 K 8.63 3.65 0.00 1.68 1.68 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.33 7.81 522 G 8.05 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 523 S 7.58 4.28 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 0.00 524 F 7.94 4.04 0.00 2.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 N 7.39 5.28 0.00 2.51 2.67 0.00 0.00 7.18 6.83 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 0.00 526 F 7.71 4.95 0.00 3.13 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 0.00 527 S 7.70 5.10 0.00 4.49 4.46 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 0.00 528 G 7.83 3.70 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 0.00 0.00 0.00 529 A 8.06 3.96 0.82 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 0.00 0.00 530 S 7.94 4.55 0.00 3.77 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 0.00 531 D 7.89 4.83 0.00 2.71 2.37 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 0.00 532 P 0.00 4.23 0.00 2.33 2.19 0.00 3.67 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 2.18 2.19 0.00 533 A 8.31 2.58 0.99 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 0.00 0.00 534 I 7.37 3.60 1.92 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 1.43 0.44 0.83 0.00 0.00 535 D 7.84 4.49 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 536 A 7.72 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.99 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.93 0.00 0.00 539 T 8.03 3.87 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 1.24 0.00 0.00 540 A 7.77 3.97 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 0.00 541 I 7.51 3.56 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.35 0.59 0.00 0.00 542 L 7.71 4.09 0.00 1.64 1.75 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 543 D 7.85 4.53 0.00 2.65 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 0.00 544 A 7.22 4.14 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 0.00 545 H 8.76 5.02 0.00 3.12 3.27 0.00 5.67 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 0.00 546 S 7.58 4.74 0.00 3.99 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 0.00 547 Q 8.73 3.94 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 548 V 7.76 3.59 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 1.02 0.00 0.00 0.94 0.00 0.00 549 D 7.90 4.38 0.00 2.74 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 0.00 550 F 8.41 4.01 0.00 3.20 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 0.00 551 I 7.99 3.65 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.89 0.00 0.00 552 A 7.97 3.91 1.34 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 0.00 0.00 0.00 553 A 7.78 3.73 1.15 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 0.00 0.00 554 V 7.11 2.87 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 -0.38 0.00 0.00 -0.02 0.00 0.00 555 R 7.80 3.77 0.00 2.04 2.07 0.00 3.45 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 556 A 8.07 3.90 1.28 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 0.00 0.00 0.00 557 L 7.72 3.65 0.00 1.62 1.58 0.59 1.02 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 0.00 558 D 8.24 4.49 0.00 3.16 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 0.00 559 R 7.73 3.87 0.00 2.06 1.87 0.00 3.26 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 560 I 7.53 3.67 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.81 0.00 0.00 561 L 7.83 3.88 0.00 0.87 0.40 -0.74 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 562 I 8.02 3.69 1.54 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.54 -0.54 0.00 0.00 563 S 7.45 4.19 0.00 3.91 3.83 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 0.00 0.00 0.00 564 G 7.92 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 0.00 0.00 0.00 565 S 7.84 3.89 0.00 3.84 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 0.00 566 Y 7.43 4.62 0.00 3.45 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 0.00 567 Y 8.09 5.15 0.00 3.03 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 0.00 568 I 8.88 4.48 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.25 0.91 0.00 0.00 569 P 0.00 4.55 0.00 2.14 1.82 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 570 L 8.47 4.44 0.00 0.94 0.20 0.15 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 571 Y 8.14 5.39 0.00 2.98 2.63 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 0.00 572 H 9.28 5.00 0.00 3.33 3.39 0.00 5.29 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 0.00 573 L 8.79 4.30 0.00 1.68 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 574 S 8.09 4.38 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.