NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 A 4.0593 8.1233 122.4575 52.0064 20.8083 175.7716 *403 D 4.6262 8.5549 118.7803 54.5858 40.8393 176.0798 404 C 4.5211 8.9041 121.0373 59.5058 42.0307 173.8815 405 A 4.7540 7.3756 117.8703 50.7290 22.6394 175.4677 406 K 4.7404 8.0101 119.6138 54.4129 35.4441 176.4795 407 G 3.8686 7.7080 113.7650 45.9289 0.0000 171.3838 408 K 4.5812 8.0673 118.6837 55.7615 32.9524 176.7455 409 I 4.0496 8.0852 122.7710 61.0834 37.5827 175.8031 410 E 4.2885 9.3040 128.4053 58.9818 30.0470 176.5243 411 F 5.1271 7.3494 111.9411 56.0809 40.9897 172.7151 412 S 5.2432 8.8689 113.5287 56.7926 66.5396 173.1549 413 K 4.5621 8.2801 121.2432 55.3958 35.8099 173.8236 414 Y 4.8465 8.8228 128.9603 56.8869 39.8936 174.4331 415 N 4.9195 8.4770 124.1190 51.5667 40.7352 176.0304 416 E 4.0363 8.8824 121.4417 59.0844 29.8753 177.2013 417 D 4.5919 7.9377 116.1527 53.0626 39.5788 176.3188 418 N 3.9818 7.9451 115.3696 54.1689 36.5975 174.1575 419 T 4.6278 7.7450 109.8142 60.7455 71.5680 173.1801 420 F 5.2826 9.2728 123.5497 56.8012 42.5869 173.4476 421 T 5.3570 8.5059 122.5040 62.0393 71.3271 173.8269 422 V 4.7098 9.0324 117.7606 59.3855 36.5476 174.3908 423 K 4.6203 8.1548 124.8210 54.6061 34.3676 174.9588 424 V 4.4649 8.3883 127.4830 61.4122 34.6524 175.6983 425 S 3.6489 9.5860 123.9229 59.8275 60.0566 173.5156 426 G 3.9706 7.7041 103.8832 45.6353 0.0000 174.1084 427 R 4.6018 7.6408 118.5517 54.2640 33.5498 174.6331 428 E 4.8776 8.2339 121.4539 55.2499 31.9035 174.8129 429 Y 5.3654 8.9943 120.4547 56.0742 42.7082 174.3017 430 W 5.6654 8.8083 119.4663 55.2237 32.0036 174.0910 431 T 4.5783 9.2972 114.6115 60.2643 70.6001 173.6217 432 N 5.1412 8.6489 122.1603 52.7210 37.8766 175.6773 433 R 4.2654 7.6796 119.6840 55.0033 29.6023 176.6726 434 W 4.3170 8.8626 123.3700 59.7633 27.6397 177.7809 435 N 3.8395 6.9122 115.8811 55.8438 38.1321 176.7660 436 L 4.1141 8.0407 120.7325 57.3778 41.5637 178.9092 437 Q 3.1139 7.5301 117.6429 58.6799 28.6707 177.9208 438 P 4.1854 0.0000 0.0000 65.8078 31.3806 178.4039 439 L 3.8260 7.7200 118.2705 57.4683 41.5463 179.2733 440 L 4.2780 8.6518 119.3017 57.9801 41.6731 179.3065 441 Q 4.1385 8.3828 119.6641 59.3643 28.9923 178.4959 442 S 4.1364 8.3067 115.9732 61.4957 62.8707 176.4187 443 A 4.0706 8.0252 123.4274 55.4140 18.0766 179.5032 444 Q 4.0157 8.4008 118.0856 59.3089 28.8765 178.4915 445 L 4.1856 7.9288 119.6856 57.3111 41.7937 178.5253 446 T 4.4157 7.9236 106.7641 60.5173 69.5335 174.5715 447 G 3.8964 7.7142 108.0032 47.1789 0.0000 174.2108 448 M 4.4129 8.0145 117.8263 55.1342 33.4921 176.8034 449 T 4.5087 8.4189 117.6863 63.0065 70.2407 174.3601 450 V 4.7148 8.6714 119.8290 59.7476 35.3767 174.9854 451 T 4.8064 8.2995 119.9748 61.7608 71.3820 173.3450 452 I 3.9181 8.1207 128.5173 60.5522 38.4131 175.0885 453 I 4.8542 7.7850 127.9583 59.6649 39.2336 174.8706 454 S 4.4528 8.4964 120.6073 57.9568 65.4413 173.8172 455 N 4.5397 8.8421 118.4927 54.2661 38.8734 175.6777 456 T 4.5190 7.8070 107.8960 60.2392 70.1199 174.2988 457 C 4.9132 8.7701 123.0232 56.4047 35.3761 174.1573 458 S 4.4293 7.7511 115.8157 57.4023 63.5393 173.5336 459 S 3.7149 8.3811 117.0403 60.4612 62.2590 174.5697 460 G 4.0578 9.2089 116.2994 45.1480 0.0000 173.5322 461 S 4.7169 7.7528 115.8162 57.7605 64.5862 174.0599 462 G 2.8272 8.2778 109.1640 45.5020 0.0000 172.7012 463 F 4.9502 7.6296 114.3226 55.5128 41.0751 174.6570 464 A 4.2773 8.2437 119.4776 52.3216 20.6996 175.3816 465 E 4.8904 8.1997 119.0885 55.5675 33.1384 174.6588 466 V 4.7156 8.2780 124.2993 60.5420 34.4415 172.7599 467 Q 4.4977 8.4881 124.3604 54.3177 31.6154 173.9658 468 F 5.0911 8.7587 124.4607 55.9172 40.8440 175.3552 469 N 4.7068 9.2464 121.2672 53.2953 38.4829 174.6747 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 401 A 8.12 4.06 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 *403 D 8.55 4.63 0.00 2.52 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 0.00 404 C 8.90 4.52 0.00 2.46 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.75 1.10 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 0.00 0.00 406 K 8.01 4.74 0.00 1.67 1.59 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.30 7.81 407 G 7.71 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 408 K 8.07 4.58 0.00 1.76 1.76 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 409 I 8.09 4.05 1.93 0.00 0.00 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 1.30 0.49 0.95 0.00 0.00 410 E 9.30 4.29 0.00 1.94 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 2.44 2.30 0.00 411 F 7.35 5.13 0.00 3.07 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 0.00 412 S 8.87 5.24 0.00 3.53 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 0.00 413 K 8.28 4.56 0.00 1.93 1.69 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.42 7.81 414 Y 8.82 4.85 0.00 3.38 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 0.00 415 N 8.48 4.92 0.00 2.78 2.63 0.00 0.00 6.22 7.18 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 0.00 416 E 8.88 4.04 0.00 1.96 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 2.30 2.34 0.00 417 D 7.94 4.59 0.00 2.73 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 0.00 418 N 7.95 3.98 0.00 2.94 3.05 0.00 0.00 6.86 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 419 T 7.75 4.63 4.61 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 1.25 0.00 0.00 420 F 9.27 5.28 0.00 3.16 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 0.00 0.00 0.00 421 T 8.51 5.36 4.27 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 0.00 0.00 0.00 1.29 0.00 0.00 422 V 9.03 4.71 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 0.87 0.00 0.00 1.01 0.00 0.00 423 K 8.15 4.62 0.00 0.79 0.74 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.12 1.21 7.81 424 V 8.39 4.46 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 0.84 0.00 0.00 0.81 0.00 0.00 425 S 9.59 3.65 0.00 4.06 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 0.00 426 G 7.70 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 0.00 427 R 7.64 4.60 0.00 1.77 1.36 0.00 3.20 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 428 E 8.23 4.88 0.00 1.86 1.81 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 2.12 2.21 0.00 429 Y 8.99 5.37 0.00 2.60 2.82 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 0.00 430 W 8.81 5.67 0.00 3.54 3.24 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 0.00 431 T 9.30 4.58 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 1.24 0.00 0.00 432 N 8.65 5.14 0.00 2.96 3.13 0.00 0.00 6.09 7.66 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 0.00 433 R 7.68 4.27 0.00 1.74 1.77 0.00 3.23 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 434 W 8.86 4.32 0.00 3.71 3.44 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 0.00 435 N 6.91 3.84 0.00 2.35 2.52 0.00 0.00 6.95 7.85 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 0.00 436 L 8.04 4.11 0.00 1.80 1.77 0.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 437 Q 7.53 3.11 0.00 2.15 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.54 2.24 0.00 438 P 0.00 4.19 0.00 2.21 2.28 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 439 L 7.72 3.83 0.00 1.83 1.40 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 440 L 8.65 4.28 0.00 2.01 2.09 1.40 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 8.38 4.14 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 442 S 8.31 4.14 0.00 3.98 3.86 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 0.00 443 A 8.03 4.07 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 Q 8.40 4.02 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 445 L 7.93 4.19 0.00 1.92 1.74 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 446 T 7.92 4.42 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 0.00 447 G 7.71 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 0.00 0.00 0.00 448 M 8.01 4.41 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 449 T 8.42 4.51 4.24 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 1.17 0.00 0.00 450 V 8.67 4.71 1.76 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 0.82 0.00 0.00 0.82 0.00 0.00 451 T 8.30 4.81 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 1.11 0.00 0.00 452 I 8.12 3.92 1.01 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.19 -0.23 0.00 0.00 453 I 7.78 4.85 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 0.94 0.00 0.00 454 S 8.50 4.45 0.00 3.82 3.65 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 0.00 0.00 0.00 0.00 455 N 8.84 4.54 0.00 2.74 2.85 0.00 0.00 6.67 7.54 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 0.00 456 T 7.81 4.52 4.29 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 1.24 0.00 0.00 457 C 8.77 4.91 0.00 3.01 3.22 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 0.00 458 S 7.75 4.43 0.00 4.00 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 0.00 459 S 8.38 3.71 0.00 3.69 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 0.00 460 G 9.21 4.06 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 0.00 0.00 0.00 461 S 7.75 4.72 0.00 4.00 3.88 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 0.00 462 G 8.28 2.83 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 0.00 0.00 0.00 463 F 7.63 4.95 0.00 2.85 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 0.00 464 A 8.24 4.28 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 0.00 465 E 8.20 4.89 0.00 1.98 1.85 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 2.22 2.26 0.00 466 V 8.28 4.72 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 0.68 0.00 0.00 0.27 0.00 0.00 467 Q 8.49 4.50 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 468 F 8.76 5.09 0.00 2.94 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 0.00 469 N 9.25 4.71 0.00 2.51 2.67 0.00 0.00 6.92 7.55 0.00 0.00 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.