NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 423 N 4.7586 8.4093 119.2069 53.8423 40.1040 173.9634 424 I 4.5875 8.7610 112.4717 59.0474 39.8638 173.8153 425 T 4.1646 9.0227 120.2577 65.1754 69.6230 175.7988 426 D 4.5252 9.1032 123.7781 55.0191 40.2990 175.6964 427 S 4.1673 7.8559 114.3236 60.3037 62.7154 174.7578 428 L 4.7848 8.1794 123.7661 54.7054 43.1014 177.5665 429 S 5.6751 9.3594 115.2061 60.2219 62.9893 175.4980 430 N 4.3500 8.3384 115.8717 53.7009 36.4690 173.9643 431 R 4.9473 8.0961 120.1597 55.7537 35.3115 174.7726 432 S 5.3628 8.7673 116.4528 56.6898 65.3800 173.1363 433 L 5.0089 9.9273 125.1283 52.9070 45.0597 175.5055 434 I 4.8036 9.3080 123.0988 60.0476 39.2041 175.0146 435 V 4.6581 8.8834 122.3288 59.9187 33.5785 175.5991 436 T 5.2902 8.4298 116.2141 60.8051 71.0901 173.7589 437 T 4.8310 7.8095 116.6628 61.3322 71.3335 171.3430 438 I 4.6812 7.6382 121.8615 58.7034 41.4206 174.5318 439 L 3.9993 8.2915 127.0462 54.3961 42.1612 176.5676 440 E 4.5019 8.4905 121.0974 55.3496 32.4752 174.2636 441 E 4.1341 8.9239 128.4216 55.4930 30.5328 174.6084 442 P 4.3505 0.0000 0.0000 62.5502 32.3199 177.5321 443 Y 3.8357 8.0269 118.6105 61.4915 38.4469 176.0062 444 V 4.7224 7.4067 118.4199 61.0819 35.0462 173.8009 445 L 5.0657 9.0117 126.6609 52.7221 46.5171 175.6779 446 F 4.6994 8.7797 120.9156 57.2545 39.3713 175.5708 447 K 4.6291 9.3791 124.7744 55.6353 32.4809 177.4371 448 K 4.1227 8.8397 123.5340 56.8987 33.3148 176.0592 449 S 4.5677 7.6211 114.0739 58.5961 64.6626 175.7342 450 D 4.8453 8.7923 121.4458 53.6297 42.5744 175.9110 451 K 4.6967 7.5853 117.3308 53.6816 34.9329 174.1673 452 P 4.3162 0.0000 0.0000 62.9667 31.7019 175.5979 453 L 4.7634 8.2987 121.3142 53.0084 44.1714 175.0416 454 Y 4.5632 8.3374 122.6763 56.5970 41.7809 176.3426 455 G 3.5984 7.1633 112.3885 45.6998 0.0000 175.0349 456 N 4.1930 8.6694 115.6153 56.6343 38.6300 176.1702 457 D 4.5129 7.5230 114.4098 56.0421 41.6835 177.3383 458 R 3.8975 8.2571 118.4134 58.8524 30.1710 176.5286 459 F 5.5020 7.9620 114.8992 55.6173 41.3551 174.6440 460 E 4.7833 9.9309 123.1826 54.7363 32.5757 174.9373 461 G 2.6461 8.7017 105.5878 42.5979 0.0000 174.1751 462 Y 4.2864 7.1014 122.1064 60.4405 38.5182 178.4981 463 C 4.0219 8.1904 117.0269 62.4375 28.0895 176.3526 464 I 3.7139 7.4283 121.4967 64.4386 36.3222 177.9882 465 D 4.3783 8.2423 120.0265 56.0844 39.2850 177.9547 466 L 3.7224 7.8970 122.2439 58.1094 41.8451 179.1532 467 L 3.8350 7.9229 118.5686 57.6021 41.4750 179.1592 468 R 3.9245 7.9317 120.0348 58.8128 29.9567 178.1311 469 E 3.8887 8.5284 118.2018 59.5809 29.4788 179.1340 470 L 4.0088 8.3309 119.1149 58.0872 41.6305 179.7997 471 S 3.0823 8.1041 112.9891 61.3255 62.0115 175.8995 472 T 3.8798 7.6103 117.1916 67.0074 68.5385 176.1277 473 I 3.8463 7.7381 120.9531 64.5547 37.2360 178.4047 474 L 4.3287 8.6261 119.2249 54.7994 41.6882 177.8319 475 G 4.0363 8.7880 108.2146 46.4251 0.0000 173.2643 476 F 5.2418 8.0060 113.1742 54.7448 40.1283 174.5083 477 T 4.8665 8.6391 114.6654 60.7716 69.3427 172.7866 478 Y 5.3147 8.5603 123.9645 55.5521 42.2788 173.3539 479 E 4.8708 9.3259 120.8698 54.6396 32.4505 175.2733 480 I 4.5714 8.3807 126.3057 61.0053 38.3234 175.9190 481 R 4.6797 9.2324 125.1693 54.0702 34.0719 174.7861 482 L 4.4211 8.7195 124.3231 54.3459 42.8685 177.3536 483 V 3.4697 8.7015 123.4201 62.3910 31.5416 176.4840 484 E 3.9143 9.3189 126.9304 59.2284 29.5470 177.6140 485 D 4.4065 8.0508 115.3342 53.9914 39.9508 176.8279 486 G 3.8559 7.9040 107.3921 46.0427 0.0000 173.1385 487 K 4.7683 9.1286 118.9850 54.1574 36.0131 177.1017 488 Y 3.8084 8.7142 117.6782 60.8553 38.0826 175.1535 489 G 4.5549 7.5514 119.1370 44.9880 0.0000 171.5138 490 A 4.5772 7.6290 128.9115 50.5841 22.4085 175.3834 491 Q 3.6741 7.5260 118.0687 54.1153 29.9309 175.7461 492 D 4.2826 8.8430 125.4758 54.4447 41.7633 176.2104 493 D 4.3146 9.0924 126.6733 56.6647 39.3388 178.1828 494 V 3.7459 7.8751 118.7198 63.5722 31.3917 177.7510 495 N 4.9098 9.0612 118.4133 52.1810 39.5635 174.7971 496 G 3.9802 7.9214 103.6809 46.8190 0.0000 173.8960 497 Q 4.8504 7.4685 114.8938 53.9307 31.8221 176.2787 498 W 4.9178 8.9648 121.4772 56.3681 30.8651 174.4195 499 N 5.0472 8.5416 118.0838 50.5502 41.0148 175.8486 500 G 4.3105 8.7784 106.9456 45.9692 0.0000 177.1652 501 M 4.1764 8.5908 121.3865 57.9954 32.0454 178.5425 502 V 3.6075 7.7395 117.6517 65.1249 32.3205 177.5218 503 R 4.2525 8.0298 119.1194 58.7861 30.1540 177.5119 504 E 3.9215 8.4675 117.4707 59.7637 29.5882 179.1044 505 L 4.1161 7.4761 118.8014 57.7352 42.1279 177.8399 506 I 3.3724 7.2076 111.9613 62.2416 38.1831 175.9390 *511 D 4.8320 8.1962 121.0392 54.4059 42.6852 175.7754 512 L 5.6797 8.0220 116.3282 51.6544 46.3957 175.8679 513 A 5.0990 8.4524 122.7950 49.6885 21.1597 175.5271 514 V 4.4500 8.1732 122.2180 62.6762 31.9495 174.4835 515 A 4.3970 8.0960 128.9291 50.4783 22.3430 174.9339 516 P 3.0082 0.0000 0.0000 61.9264 29.0783 177.3463 517 L 4.3678 7.1854 119.4080 54.1752 42.6928 175.4123 518 A 4.5120 8.5127 129.2949 51.6018 19.1610 176.6572 519 I 2.8255 7.6928 117.4117 60.9358 37.8534 175.5549 520 T 4.7238 8.4564 116.8497 59.4521 72.0011 174.2634 521 Y 4.2690 9.1265 123.2431 61.2068 38.9165 178.3487 522 V 3.4468 7.9138 118.2175 66.1968 31.4565 178.0249 523 R 3.8281 7.8080 116.2427 59.3639 30.0281 178.6139 524 E 4.3079 8.4462 119.1024 58.4424 29.4252 178.9527 525 K 3.9458 7.0790 115.8978 56.5957 31.8824 176.0372 *527 I 3.7246 6.9748 110.8193 60.7069 39.3830 173.9708 528 D 4.7411 8.9596 123.5505 53.4360 42.4456 175.6774 529 F 5.6099 8.4901 120.3842 55.5578 42.0731 175.3852 530 S 4.5892 8.9586 117.1262 57.6126 64.1518 173.6870 531 K 4.2345 8.3115 121.3859 55.5434 32.5939 174.8129 532 P 4.3134 0.0000 0.0000 63.1553 31.4202 176.3541 533 F 4.7833 7.8812 116.9044 57.5591 39.2645 175.3661 534 M 4.8211 7.0993 121.1367 54.4234 35.5952 172.9799 535 T 4.7309 8.2509 119.9449 60.6340 70.3496 173.0709 536 L 4.3088 7.5305 125.3281 56.5344 43.6170 173.4037 537 G 4.2692 8.5214 104.0497 46.2900 0.0000 173.2725 538 I 4.1523 7.8351 121.4077 61.8734 38.3624 175.7700 539 S 4.6009 8.9061 119.3196 57.4281 66.5858 171.6058 540 I 4.8425 7.9135 120.3332 59.0544 40.7980 174.0894 541 L 5.2365 8.9075 130.8525 53.7639 44.4129 174.5500 542 Y 5.0733 8.8398 127.2477 55.7519 42.5361 173.6648 *680 I 4.0890 8.1767 112.0008 60.8516 38.6716 175.6371 681 E 4.6228 8.7334 126.1097 56.6023 30.5129 175.3371 682 Y 5.4966 7.6580 118.6485 55.7912 42.0726 173.9689 683 G 4.6033 8.4326 106.2702 46.9892 0.0000 170.8643 684 A 4.9765 8.2845 120.3648 49.6578 23.5933 175.3247 685 V 4.5477 8.3081 119.0926 62.6261 32.5372 175.4468 686 E 4.1845 9.0984 127.2387 57.6386 30.0320 176.2135 687 D 4.4178 8.8878 119.7112 55.3586 38.7907 174.4460 688 G 4.0140 7.6278 106.2384 43.3266 0.0000 174.9776 689 A 4.1672 8.4355 121.5451 55.3862 18.0065 179.9490 690 T 3.9731 7.9019 112.8759 67.1130 69.0095 175.8210 691 M 4.2277 8.0847 119.2026 59.3008 32.2013 178.2281 692 T 3.9946 8.2959 114.6099 66.3536 68.5790 176.0364 693 F 4.4993 8.3803 122.1738 60.6793 39.7095 175.4783 694 F 3.8067 8.2175 114.9176 56.6194 39.3463 175.5891 *704 K 4.1508 8.2195 120.7993 56.9652 32.7117 175.5684 705 M 4.5874 8.6007 128.8382 56.9665 32.1790 178.4287 706 W 4.3088 8.5550 128.4593 60.3275 31.0229 177.4335 707 A 3.7056 8.2698 120.3033 55.1185 17.7115 179.0456 708 F 4.0072 7.9413 118.3652 61.9983 39.2866 177.3759 709 M 3.7021 7.9146 116.6257 57.8309 31.7442 178.3825 710 S 3.5710 7.5578 112.9834 61.4472 62.4730 176.2307 711 S 4.1072 7.5291 116.3100 60.1128 63.3517 175.1893 712 R 4.4719 7.1810 118.3590 54.5298 29.5459 177.8512 713 R 3.8000 8.0213 116.4468 60.5220 29.4481 177.9070 714 Q 3.9532 7.8887 118.0177 57.9789 29.1730 176.2196 715 S 4.2531 7.5019 109.6567 58.5047 62.6797 173.4539 *717 L 4.2705 7.5783 118.5398 55.4775 42.5459 176.4887 718 V 4.2857 8.4328 122.7504 61.4910 33.3687 176.1009 719 K 4.3161 8.0673 119.8188 57.3632 32.9986 177.3377 720 S 4.7066 7.5375 112.2674 55.9877 66.7106 174.9497 721 N 4.5253 8.8245 119.6249 56.8232 38.2684 177.3820 722 E 3.9770 8.2504 119.2172 59.3773 29.5825 178.8693 723 E 3.9762 8.0521 118.2326 59.4788 29.5837 179.7508 724 G 2.3434 7.6165 105.1309 47.4107 0.0000 175.3478 725 I 3.6581 7.6549 123.2914 64.3599 37.2329 178.4191 726 Q 4.0016 8.1713 118.5180 59.1727 28.7041 179.1935 727 R 4.0117 7.9310 118.2541 58.1506 29.8189 179.2608 728 V 3.9531 7.4957 118.1008 66.1129 31.7765 177.7648 729 L 4.0829 7.8407 117.1718 57.6075 41.4162 179.1547 730 T 4.2210 7.8356 114.7172 66.6628 69.3698 174.4575 731 S 4.9839 7.8810 115.4721 57.1651 65.4571 173.4137 732 D 4.9988 8.4252 117.4928 53.4097 40.6232 174.0095 733 Y 5.3477 8.1006 121.8008 55.3529 43.0135 172.8065 734 A 4.9353 9.1674 129.0049 50.5121 21.1358 175.2690 735 F 4.9125 8.6883 126.0106 56.8433 41.1679 175.0718 736 L 4.9208 8.8342 127.8185 53.5664 41.0287 175.8470 737 M 4.6749 7.8492 120.4781 52.5380 35.7968 174.6452 738 E 4.4595 8.7276 119.1333 56.2476 30.3358 178.0627 739 S 4.1117 9.3818 120.7656 62.1205 62.4195 176.7090 740 T 3.9464 8.0897 116.5226 65.2983 67.1600 175.7415 741 T 4.2005 8.5164 111.4340 64.5721 68.9249 176.8620 742 I 3.8342 7.8889 122.5516 64.3538 37.1133 178.0178 743 E 4.1585 8.5778 116.8879 58.8568 29.1937 178.7743 744 F 4.4729 8.1021 122.0624 61.6651 39.5015 177.6708 745 V 3.0424 7.7468 111.4933 64.2148 31.0160 178.7193 746 T 3.9086 8.0171 115.4785 66.6216 68.3781 175.6715 747 Q 4.4552 7.2555 116.3010 56.1183 28.8127 176.7008 748 R 4.3948 7.5594 118.8341 55.7659 33.0462 175.1976 749 N 4.8971 8.4381 116.5755 51.9389 41.1858 174.1362 750 C 4.3729 8.7273 121.6925 60.4254 28.6078 173.6613 751 N 4.7146 7.7965 115.2641 52.9297 38.9222 174.4710 752 L 4.8693 7.1929 118.5100 53.0632 43.8729 175.9637 753 T 4.8359 8.1386 111.5655 59.9517 72.9313 172.2276 754 Q 4.8548 8.7353 123.7215 55.6915 29.7787 174.6882 755 I 4.2926 8.8344 127.4316 60.6196 39.7011 177.1635 756 G 4.0443 8.8549 116.5340 44.8188 0.0000 173.3136 757 G 4.0749 8.0203 110.4167 45.1922 0.0000 172.9313 758 L 4.4451 8.0224 122.5172 54.8231 43.0806 174.7191 759 I 4.7455 7.8580 115.5387 62.9506 44.9683 174.0067 760 D 4.5034 7.5451 119.6443 51.9723 43.4092 173.7999 761 S 4.1440 8.3581 113.1787 57.2392 62.9419 172.6432 762 K 3.8470 9.3311 130.3094 52.7537 33.1788 174.4931 763 G 3.9843 7.5831 108.3843 45.7202 0.0000 171.1396 764 Y 4.5617 7.9067 120.4037 56.1595 36.0948 179.9343 765 G 3.8750 8.2483 117.4886 46.1386 0.0000 173.1998 766 V 4.0371 9.2244 124.4464 63.8606 32.7765 175.1411 767 G 4.2680 9.2102 114.4334 46.3133 0.0000 172.8122 768 T 5.2052 8.5649 118.8076 61.1856 73.4699 171.6466 769 P 4.3843 0.0000 0.0000 62.7950 32.2882 175.6228 770 M 3.3916 8.5610 122.0850 56.1415 31.6432 174.2815 771 G 3.7284 9.2065 119.2352 45.2409 0.0000 172.1499 772 S 4.4353 7.8566 119.1136 55.1782 65.7688 172.6376 773 P 4.1339 0.0000 0.0000 66.2461 31.3978 177.9109 774 Y 4.2794 7.3336 114.9495 62.1965 37.5246 179.4055 775 R 3.3505 7.6187 117.3454 58.1508 31.4220 177.6375 776 D 4.4024 7.8901 117.3975 57.5288 41.4313 178.8546 777 K 3.9520 8.2097 118.3247 60.0737 31.8680 178.5270 778 I 3.7580 8.0907 120.4638 63.9705 36.8675 178.3564 779 T 3.9259 7.9204 116.2905 67.3857 68.4652 175.6947 780 I 3.6294 7.7328 120.3328 64.8966 37.0468 177.8283 781 A 4.3042 8.0793 121.5437 54.8955 18.2386 179.5246 782 I 3.6937 8.1109 118.0665 64.4748 37.2974 178.1944 783 L 3.9592 8.2017 119.7731 58.2665 41.0991 179.3720 784 Q 4.1395 8.4344 119.3098 59.6438 28.9734 178.9062 785 L 4.1272 8.2483 119.6622 57.3116 41.4973 179.4093 786 Q 3.9770 8.3110 120.4942 59.2005 28.8966 177.9715 787 E 3.9772 7.9084 116.8471 59.1984 29.6894 177.8291 788 E 4.0403 8.0394 115.3980 56.7303 30.1074 177.3449 789 G 3.9102 8.3964 108.6689 46.9335 0.0000 176.1518 790 K 3.9750 8.1831 119.5811 59.3090 32.2902 179.0451 791 L 3.9881 8.0099 119.1826 58.4070 41.6429 179.4295 792 H 4.2593 8.3129 117.5188 59.3172 29.9486 176.6436 793 M 3.9852 8.0592 120.6931 59.0333 31.7786 178.8379 794 M 4.1556 8.1065 118.1898 58.2381 32.4435 178.4231 795 K 3.8393 8.1544 119.4038 59.6834 31.9825 178.2010 796 E 3.9198 7.9898 117.9795 59.2154 29.7098 178.0015 797 K 3.8245 7.8189 118.2003 59.5989 32.1668 178.1080 798 W 4.7468 8.4577 117.3952 57.8677 29.4222 177.0174 799 W 4.5115 8.4897 119.0212 56.7411 29.0383 176.3875 800 R 4.2460 9.0218 122.8887 56.8950 30.4725 175.4784 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 423 N 8.41 4.76 0.00 2.71 2.80 0.00 0.00 6.76 7.06 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 0.00 424 I 8.76 4.59 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.94 0.00 0.00 425 T 9.02 4.16 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 1.22 0.00 0.00 426 D 9.10 4.53 0.00 2.97 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 0.00 427 S 7.86 4.17 0.00 4.02 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 0.00 428 L 8.18 4.78 0.00 1.71 1.83 0.89 1.24 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 0.00 429 S 9.36 5.68 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 0.00 430 N 8.34 4.35 0.00 2.94 3.34 0.00 0.00 5.64 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 0.00 431 R 8.10 4.95 0.00 1.79 1.85 0.00 3.37 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 432 S 8.77 5.36 0.00 3.89 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 0.00 433 L 9.93 5.01 0.00 1.55 1.50 0.57 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 434 I 9.31 4.80 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.24 0.91 0.00 0.00 435 V 8.88 4.66 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 0.82 0.00 0.00 1.18 0.00 0.00 436 T 8.43 5.29 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 1.18 0.00 0.00 437 T 7.81 4.83 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 0.82 0.00 0.00 438 I 7.64 4.68 1.38 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.11 0.00 0.00 439 L 8.29 4.00 0.00 1.64 1.56 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 440 E 8.49 4.50 0.00 2.07 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 2.17 2.40 0.00 441 E 8.92 4.13 0.00 1.94 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 1.83 1.98 0.00 442 P 0.00 4.35 0.00 1.40 1.12 0.00 2.20 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 443 Y 8.03 3.84 0.00 3.10 3.02 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 0.00 444 V 7.41 4.72 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 0.56 0.00 0.00 0.76 0.00 0.00 445 L 9.01 5.07 0.00 1.64 1.51 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 446 F 8.78 4.70 0.00 2.99 2.88 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 0.00 447 K 9.38 4.63 0.00 1.70 1.81 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.37 7.81 448 K 8.84 4.12 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 449 S 7.62 4.57 0.00 3.81 3.72 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 0.00 450 D 8.79 4.85 0.00 2.64 2.62 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 0.00 451 K 7.59 4.70 0.00 1.76 1.66 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.37 7.81 452 P 0.00 4.32 0.00 2.18 2.05 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.10 4.29 0.00 3.03 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 0.00 463 C 8.19 4.02 0.00 2.96 2.88 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 0.00 464 I 7.43 3.71 2.10 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 1.83 0.49 1.01 0.00 0.00 465 D 8.24 4.38 0.00 3.00 3.02 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 0.00 466 L 7.90 3.72 0.00 1.20 1.46 0.79 -0.26 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 0.00 467 L 7.92 3.84 0.00 1.99 1.65 1.02 0.58 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 0.00 468 R 7.93 3.92 0.00 2.14 2.08 0.00 3.29 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 469 E 8.53 3.89 0.00 2.25 1.94 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 478 Y 8.56 5.31 0.00 3.16 3.26 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 0.00 479 E 9.33 4.87 0.00 1.88 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 2.16 2.24 0.00 480 I 8.38 4.57 1.93 0.00 0.00 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 1.21 0.54 0.46 0.00 0.00 481 R 9.23 4.68 0.00 1.63 1.76 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 482 L 8.72 4.42 0.00 1.56 1.57 1.06 0.80 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 0.00 483 V 8.70 3.47 1.97 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 0.51 0.00 0.00 1.07 0.00 0.00 484 E 9.32 3.91 0.00 1.94 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 2.30 2.26 0.00 485 D 8.05 4.41 0.00 2.84 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 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2.02 2.26 0.00 770 M 8.56 3.39 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 771 G 9.21 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 772 S 7.86 4.44 0.00 3.72 3.58 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 0.00 773 P 0.00 4.13 0.00 1.15 1.83 0.00 3.25 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 774 Y 7.33 4.28 0.00 2.93 2.81 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 0.00 775 R 7.62 3.35 0.00 2.09 2.04 0.00 3.21 0.00 0.00 3.17 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 776 D 7.89 4.40 0.00 2.72 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 0.00 777 K 8.21 3.95 0.00 1.80 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.54 7.81 778 I 8.09 3.76 2.06 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 1.88 0.92 0.96 0.00 0.00 779 T 7.92 3.93 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 1.25 0.00 0.00 780 I 7.73 3.63 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 0.93 0.00 0.00 781 A 8.08 4.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 782 I 8.11 3.69 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 1.12 0.00 0.00 783 L 8.20 3.96 0.00 2.04 1.78 0.94 1.02 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 0.00 784 Q 8.43 4.14 0.00 2.11 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 785 L 8.25 4.13 0.00 1.97 1.74 0.95 0.93 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 0.00 786 Q 8.31 3.98 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 787 E 7.91 3.98 0.00 2.16 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 2.38 2.26 0.00 788 E 8.04 4.04 0.00 2.15 2.13 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 2.60 2.27 0.00 789 G 8.40 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 0.00 790 K 8.18 3.98 0.00 1.98 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.48 7.81 791 L 8.01 3.99 0.00 1.81 1.90 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 792 H 8.31 4.26 0.00 3.19 3.45 0.00 5.70 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 0.00 793 M 8.06 3.99 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.84 0.00 794 M 8.11 4.16 0.00 2.44 2.29 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.57 0.00 795 K 8.15 3.84 0.00 1.85 1.93 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.13 1.12 7.81 796 E 7.99 3.92 0.00 2.12 2.07 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 2.32 2.38 0.00 797 K 7.82 3.82 0.00 1.73 1.89 0.00 1.61 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.97 7.81 798 W 8.46 4.75 0.00 3.82 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 0.00 799 W 8.49 4.51 0.00 3.62 3.19 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 0.00 800 R 9.02 4.25 0.00 2.06 2.01 0.00 3.30 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.