NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9353 8.3544 109.7423 46.4184 0.0000 172.3143 -3 S 4.2995 8.1296 110.7732 57.0939 64.7833 172.4044 -2 H 5.0642 9.0087 126.2317 54.8132 34.3026 170.6739 -1 M 4.4333 8.0705 119.4968 53.6448 34.5636 175.1472 *527 G 4.3820 7.9128 108.6468 46.4930 0.0000 171.5333 528 T 4.4260 8.4125 116.1767 63.8961 69.4484 174.4619 529 V 4.3800 8.4552 118.0473 59.2173 36.9867 174.8803 530 S 5.1177 7.7068 111.9997 56.4836 62.8580 173.8881 531 W 4.9003 7.7333 119.0446 57.0878 30.2282 177.3285 532 N 4.7340 9.3819 118.3733 52.9581 40.0052 176.7070 533 L 4.1647 8.5469 121.7193 57.7541 41.6033 180.2937 534 R 3.9484 7.9596 117.9531 59.3143 30.1891 178.5403 535 E 3.8221 8.1224 117.7666 59.5758 29.4888 178.9553 536 M 4.3098 8.5009 119.0055 58.8545 32.0765 178.9256 537 L 4.2117 8.2852 118.6047 57.6578 41.7002 179.6672 538 A 3.9609 8.2361 120.8526 55.3627 18.3226 179.0802 539 H 3.9100 8.7085 116.8859 59.4292 29.9770 177.3224 540 A 4.0096 8.5878 122.9338 55.0253 17.9532 179.3122 541 E 3.8441 8.2524 116.6021 59.7671 29.6977 179.0410 542 E 4.0590 8.1564 118.0733 58.9115 29.2128 177.9898 543 T 4.1956 8.2083 108.0523 61.0304 69.1852 175.0809 544 R 3.9290 7.6549 119.3633 56.9982 28.4976 176.6427 545 K 4.2076 7.1526 115.7406 55.7914 33.0303 176.6348 546 L 4.2871 8.1473 123.6923 55.2584 43.4049 175.2916 547 M 4.9692 9.3214 127.5885 52.9872 33.7293 172.9626 548 P 5.2146 0.0000 0.0000 62.8584 33.0336 175.9177 549 I 4.4926 8.8132 121.5758 59.5019 41.5453 174.0866 550 C 3.5800 8.2119 127.7431 59.2981 31.8830 173.7520 551 M 4.2290 8.4653 126.6146 57.1371 31.2668 177.4839 552 D 4.2373 7.5616 117.6839 56.2126 41.8627 176.8171 553 V 4.0692 7.4176 113.1985 59.9143 32.5744 176.5674 554 R 3.9037 8.6605 124.0884 59.5733 29.9018 178.0551 555 A 3.9523 8.1447 119.6051 56.0699 18.1901 179.5547 556 I 3.8091 7.5534 116.2838 64.0960 37.4057 178.3559 557 M 3.9827 8.0728 119.6012 58.4407 31.7969 178.5867 558 A 3.9751 8.0178 120.4280 55.6484 17.4607 179.6261 559 T 3.8958 7.9276 114.1759 66.9976 68.5042 176.8268 560 I 3.9124 8.0461 121.5460 64.7071 37.1428 178.6003 561 Q 4.7182 8.5990 119.3639 57.9273 28.5427 178.6843 562 R 4.0574 8.3480 117.6063 58.6295 29.5007 177.9263 563 K 4.2131 7.4928 118.7611 56.4055 34.0152 176.0140 564 Y 5.1160 8.4158 116.4197 56.3956 37.9826 175.8756 565 K 4.0705 8.2192 122.8355 58.7611 33.3984 177.9069 566 G 3.8371 8.3681 106.8419 48.3926 0.0000 173.8232 567 I 3.3734 6.7990 118.6330 60.4822 38.5236 175.0620 568 K 4.2910 8.1373 125.8764 55.2301 33.3451 176.1870 569 I 3.5266 7.8120 123.4301 59.8376 37.9056 175.4399 570 Q 4.3815 7.4232 122.0829 54.3861 31.2027 174.0644 571 E 4.0539 8.6186 120.7981 56.7157 29.7770 177.2762 572 G 4.1598 7.4591 111.9771 44.0132 0.0000 171.0340 573 I 4.6334 8.0685 121.0329 61.4898 38.0443 176.6023 574 V 4.3035 9.1704 125.7969 61.5789 34.3178 173.8082 575 D 4.7490 8.9118 129.4530 52.9614 40.2689 174.0123 576 Y 4.4091 8.2451 123.1621 57.5707 39.8003 173.9028 577 G 4.1280 9.0374 120.2330 44.7794 0.0000 172.2396 578 V 3.7836 6.1498 120.0409 59.6978 33.7498 174.2178 579 R 3.8107 8.3500 126.9307 57.1669 30.8613 175.4510 580 F 5.3483 9.1343 123.6077 55.9594 41.7762 175.4068 581 F 5.2732 8.6920 123.6864 56.3026 40.9210 173.3039 582 F 4.8048 8.7556 124.5020 57.4444 40.4195 174.0468 583 Y 4.8826 8.7002 120.2115 56.3725 42.0778 173.0297 584 T 4.9628 8.5303 108.8740 59.7348 70.9193 175.8755 585 S 4.0506 8.7542 118.8101 60.9034 63.4186 175.6650 586 K 4.1081 7.9364 119.6416 58.5030 32.1895 177.1180 587 E 4.0761 7.6302 119.5178 55.4177 30.1654 175.3111 588 P 4.3738 0.0000 0.0000 62.4472 32.8371 177.4339 589 V 3.2940 8.5325 121.8558 66.2465 31.2779 177.7265 590 A 3.9797 8.1047 119.5530 55.5091 18.2568 179.3866 591 S 4.0263 7.9527 110.3677 61.7329 62.4397 176.3208 592 I 3.7519 7.7440 121.2613 64.2184 37.0171 178.3288 593 I 3.7715 8.0172 121.0268 64.8395 37.0103 178.3655 594 T 3.8688 7.9360 116.4284 66.8688 68.0278 176.5711 595 K 3.9463 7.8934 120.0299 59.4029 31.9652 179.3070 596 L 3.8058 7.9204 119.2261 57.5178 41.3278 179.2169 597 N 4.3262 7.9072 115.7510 55.9894 38.6039 177.1249 598 S 4.2351 7.7660 115.0680 61.4765 62.9518 176.3533 599 L 3.9834 7.4181 122.4747 55.9820 41.1806 178.1060 600 N 4.6369 8.2511 114.7822 54.2703 38.0625 173.4603 601 E 4.2598 7.3548 114.9873 54.6047 30.3793 174.7268 602 P 4.6731 0.0000 0.0000 62.9939 32.7549 175.2280 603 L 5.3613 9.2468 122.6238 52.0646 46.1169 176.0324 604 V 4.6897 8.1538 119.3401 61.3028 33.8175 173.7505 605 T 4.7247 8.8135 120.2189 61.3724 71.3969 171.9383 606 M 4.8752 8.4216 120.5890 52.7185 33.7991 173.8648 607 P 4.2487 0.0000 0.0000 62.9109 31.3293 176.2139 608 I 3.8896 8.6848 125.0145 64.3467 37.6928 177.9396 609 G 3.5061 7.6902 111.2939 44.0084 0.0000 171.2757 610 Y 5.2933 7.2373 128.7574 57.3781 40.8544 176.8825 611 V 3.3091 7.4483 114.3940 66.1754 31.8423 178.9371 612 T 3.8061 7.9435 108.0806 64.4740 68.6683 174.3535 613 H 4.4637 8.4479 117.4838 54.6928 28.7825 175.0332 614 G 3.9883 7.9996 107.3813 46.6580 0.0000 174.1801 615 F 4.8778 8.1855 117.1532 56.0013 40.9894 175.5463 616 N 5.0313 8.2284 120.3006 51.6703 40.5026 175.6814 617 L 4.2242 8.5312 121.1176 57.9434 42.0792 178.2370 618 E 2.7655 7.8735 118.9845 58.7839 29.5184 178.4395 619 E 3.7846 8.8010 118.7417 59.3241 29.5187 178.9990 620 A 4.8591 8.9473 122.3018 54.7078 18.2187 179.4504 621 A 3.5940 8.1176 118.2195 55.1940 18.7813 179.6668 622 R 3.9510 8.1652 114.8263 59.7566 29.4772 178.5923 623 C 4.2183 8.5892 119.9710 62.1930 31.5236 175.1560 624 M 4.2896 8.1438 119.7340 57.4664 31.3457 178.4530 625 R 4.0105 7.7208 117.6723 58.4886 30.2790 178.1442 626 S 4.3302 7.6874 113.1286 58.6199 63.4447 174.0898 627 L 4.4482 7.4166 124.5406 54.6095 42.4667 176.3769 628 K 4.4504 9.1685 122.9915 56.2581 34.4732 176.8371 629 A 4.4709 8.1754 120.2847 50.4188 19.1339 175.5258 630 P 4.5999 0.0000 0.0000 62.1705 31.9446 174.2833 631 A 5.0382 8.2113 127.2349 50.0951 20.7775 176.6593 632 V 3.7202 8.6184 123.2113 62.9594 33.2141 175.3294 633 V 4.4713 8.0115 125.8465 61.0992 33.9827 174.6502 634 S 4.6042 8.7921 125.1467 57.2258 61.9704 174.1214 635 V 3.7489 8.0367 121.7627 60.5819 32.7021 177.7654 636 S 4.1500 8.6938 115.6259 61.0176 62.7491 174.2523 637 S 4.8427 7.6143 114.5096 55.1452 66.7408 173.1816 638 P 4.3914 0.0000 0.0000 65.4735 30.6159 178.3851 639 D 4.4151 8.1204 117.2319 56.9055 41.2316 177.7324 640 A 3.8373 7.8141 122.1317 53.7700 18.2740 179.5448 641 V 3.4689 7.2984 116.0122 66.7064 31.4890 178.2252 642 T 3.8276 7.8508 114.6271 66.8916 68.3342 176.4884 643 T 3.5536 7.3336 117.1419 66.7984 68.5165 176.0356 644 Y 4.2038 8.0254 121.2385 60.6646 38.7084 177.7333 645 N 4.3629 8.5745 117.6574 56.2225 38.5856 177.1989 646 G 3.7834 8.0404 107.3738 48.3243 0.0000 175.1335 647 Y 4.2856 6.9472 117.9186 60.4446 38.0074 178.3141 648 L 4.0247 7.4775 118.7304 58.2112 41.8193 179.4038 649 T 3.8703 8.0330 108.2615 63.9733 69.9672 175.2679 650 S 3.4655 9.0807 114.7741 57.5043 60.4276 172.3274 651 S 4.4526 8.0465 117.5229 58.1685 62.6595 168.4063 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 -4 G 8.35 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 0.00 0.00 0.00 -3 S 8.13 4.30 0.00 3.94 3.79 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 -2 H 9.01 5.06 0.00 3.06 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 8.07 4.43 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 *527 G 7.91 4.38 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 0.00 528 T 8.41 4.43 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 0.94 0.00 0.00 529 V 8.46 4.38 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 0.00 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 530 S 7.71 5.12 0.00 3.96 4.03 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 0.00 0.00 0.00 531 W 7.73 4.90 0.00 3.35 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 0.00 532 N 9.38 4.73 0.00 2.81 2.84 0.00 0.00 7.77 6.38 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 0.00 533 L 8.55 4.16 0.00 1.72 1.80 1.01 0.94 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 0.00 534 R 7.96 3.95 0.00 1.87 1.98 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 535 E 8.12 3.82 0.00 2.23 1.55 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 0.00 2.16 2.32 0.00 536 M 8.50 4.31 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.10 2.94 0.00 537 L 8.29 4.21 0.00 2.05 1.91 1.17 1.15 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 0.00 538 A 8.24 3.96 1.35 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 0.00 0.00 539 H 8.71 3.91 0.00 2.90 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 A 8.59 4.01 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 0.00 541 E 8.25 3.84 0.00 2.20 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 2.56 0.00 542 E 8.16 4.06 0.00 1.90 1.88 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 2.26 2.27 0.00 543 T 8.21 4.20 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 1.08 0.00 0.00 544 R 7.65 3.93 0.00 1.90 1.96 0.00 3.24 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 545 K 7.15 4.21 0.00 1.98 1.88 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.54 7.81 546 L 8.15 4.29 0.00 1.67 1.53 0.80 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 547 M 9.32 4.97 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 548 P 0.00 5.21 0.00 2.45 2.34 0.00 3.85 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 2.12 2.07 0.00 549 I 8.81 4.49 1.41 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.55 0.83 0.00 0.00 550 C 8.21 3.58 0.00 2.76 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 0.00 551 M 8.47 4.23 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 552 D 7.56 4.24 0.00 2.66 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 0.00 553 V 7.42 4.07 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 0.76 0.00 0.00 0.90 0.00 0.00 554 R 8.66 3.90 0.00 1.87 1.98 0.00 3.17 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 555 A 8.14 3.95 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 0.00 556 I 7.55 3.81 1.86 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 1.67 0.57 0.89 0.00 0.00 557 M 8.07 3.98 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 558 A 8.02 3.98 1.39 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 0.00 0.00 559 T 7.93 3.90 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 1.30 0.00 0.00 560 I 8.05 3.91 2.01 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.72 0.00 0.00 561 Q 8.60 4.72 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 562 R 8.35 4.06 0.00 1.94 2.20 0.00 3.06 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 563 K 7.49 4.21 0.00 1.86 1.46 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.16 1.35 7.81 564 Y 8.42 5.12 0.00 3.29 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 0.00 565 K 8.22 4.07 0.00 1.93 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 566 G 8.37 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 0.00 567 I 6.80 3.37 0.73 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.94 0.00 0.00 568 K 8.14 4.29 0.00 1.68 1.61 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.43 7.81 569 I 7.81 3.53 1.57 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 0.30 0.00 0.00 570 Q 7.42 4.38 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 571 E 8.62 4.05 0.00 1.93 1.91 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 2.26 2.24 0.00 572 G 7.46 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 0.00 0.00 0.00 0.00 573 I 8.07 4.63 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 1.01 0.00 0.00 574 V 9.17 4.30 2.46 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 1.40 0.00 0.00 1.23 0.00 0.00 575 D 8.91 4.75 0.00 2.75 2.64 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 0.00 576 Y 8.25 4.41 0.00 2.98 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 0.00 577 G 9.04 4.13 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 0.00 0.00 0.00 578 V 6.15 3.78 0.70 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 0.56 0.00 0.00 0.88 0.00 0.00 579 R 8.35 3.81 0.00 1.82 1.86 0.00 3.12 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 580 F 9.13 5.35 0.00 2.92 2.16 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 0.00 581 F 8.69 5.27 0.00 3.09 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 0.00 582 F 8.76 4.80 0.00 3.04 2.73 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 0.00 583 Y 8.70 4.88 0.00 2.94 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 0.00 584 T 8.53 4.96 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 1.24 0.00 0.00 585 S 8.75 4.05 0.00 3.89 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 0.00 586 K 7.94 4.11 0.00 1.78 1.92 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.41 7.81 587 E 7.63 4.08 0.00 2.10 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 0.00 2.38 2.38 0.00 588 P 0.00 4.37 0.00 2.30 2.00 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 589 V 8.53 3.29 2.02 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 0.96 0.00 0.00 -0.07 0.00 0.00 590 A 8.10 3.98 1.35 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 0.00 0.00 591 S 7.95 4.03 0.00 3.92 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 0.00 592 I 7.74 3.75 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 0.59 0.00 0.00 593 I 8.02 3.77 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.91 0.00 0.00 594 T 7.94 3.87 4.38 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 1.20 0.00 0.00 595 K 7.89 3.95 0.00 1.83 1.74 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.89 7.81 596 L 7.92 3.81 0.00 1.72 1.62 0.87 0.44 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 0.00 597 N 7.91 4.33 0.00 2.80 2.85 0.00 0.00 6.90 7.81 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 0.00 598 S 7.77 4.24 0.00 4.01 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 0.00 599 L 7.42 3.98 0.00 1.83 1.65 0.55 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 600 N 8.25 4.64 0.00 3.08 2.80 0.00 0.00 7.26 8.49 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 0.00 601 E 7.35 4.26 0.00 1.77 1.82 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 2.46 2.33 0.00 602 P 0.00 4.67 0.00 2.13 2.18 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 603 L 9.25 5.36 0.00 1.61 1.66 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 604 V 8.15 4.69 2.30 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 0.77 0.00 0.00 1.19 0.00 0.00 605 T 8.81 4.72 4.31 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 1.23 0.00 0.00 606 M 8.42 4.88 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 607 P 0.00 4.25 0.00 2.13 2.06 0.00 3.43 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 608 I 8.68 3.89 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.72 0.00 0.00 609 G 7.69 3.51 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 0.00 610 Y 7.24 5.29 0.00 3.07 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 0.00 611 V 7.45 3.31 1.83 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 1.01 0.00 0.00 0.01 0.00 0.00 612 T 7.94 3.81 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 613 H 8.45 4.46 0.00 2.72 2.73 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 G 8.00 3.99 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 0.00 615 F 8.19 4.88 0.00 3.09 3.11 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 0.00 616 N 8.23 5.03 0.00 3.05 2.99 0.00 0.00 5.51 6.53 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 0.00 617 L 8.53 4.22 0.00 2.04 1.97 0.55 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 618 E 7.87 2.77 0.00 1.16 1.75 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 2.00 1.63 0.00 619 E 8.80 3.78 0.00 2.10 1.53 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 2.10 2.13 0.00 620 A 8.95 4.86 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 0.00 621 A 8.12 3.59 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 0.00 622 R 8.17 3.95 0.00 2.02 2.19 0.00 2.92 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.87 0.00 623 C 8.59 4.22 0.00 3.44 3.14 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 0.00 624 M 8.14 4.29 0.00 2.18 2.43 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.81 0.00 625 R 7.72 4.01 0.00 1.92 1.98 0.00 3.13 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 626 S 7.69 4.33 0.00 3.91 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 0.00 627 L 7.42 4.45 0.00 1.58 1.74 0.96 0.44 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 0.00 628 K 9.17 4.45 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.47 7.81 629 A 8.18 4.47 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 0.00 630 P 0.00 4.60 0.00 2.12 2.23 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 631 A 8.21 5.04 1.22 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 0.00 0.00 632 V 8.62 3.72 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 0.28 0.00 0.00 0.86 0.00 0.00 633 V 8.01 4.47 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 0.59 0.00 0.00 0.95 0.00 0.00 634 S 8.79 4.60 0.00 3.78 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 0.00 635 V 8.04 3.75 1.95 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 0.21 0.00 0.00 0.84 0.00 0.00 636 S 8.69 4.15 0.00 3.92 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 0.00 637 S 7.61 4.84 0.00 3.88 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 0.00 638 P 0.00 4.39 0.00 2.27 2.33 0.00 3.88 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 2.08 1.90 0.00 639 D 8.12 4.42 0.00 2.82 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 0.00 640 A 7.81 3.84 1.39 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 0.00 0.00 641 V 7.30 3.47 2.19 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 1.06 0.00 0.00 0.98 0.00 0.00 642 T 7.85 3.83 4.32 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 1.17 0.00 0.00 643 T 7.33 3.55 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 1.04 0.00 0.00 644 Y 8.03 4.20 0.00 2.99 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 0.00 645 N 8.57 4.36 0.00 2.91 2.83 0.00 0.00 6.85 7.11 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 0.00 646 G 8.04 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 647 Y 6.95 4.29 0.00 2.93 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 0.00 648 L 7.48 4.02 0.00 1.60 1.65 0.85 0.12 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 0.00 649 T 8.03 3.87 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 1.21 0.00 0.00 650 S 9.08 3.47 0.00 3.93 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 0.00 651 S 8.05 4.45 0.00 3.90 4.13 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 * Residues marked with a * may have inaccurate shift predictions.