NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 410 D 4.5604 8.2185 120.3160 53.1667 40.4435 175.4064 411 A 3.7717 7.9602 129.4735 55.7985 18.7539 177.9345 412 L 4.0451 8.6101 116.5844 57.4458 42.3421 177.7339 413 E 4.0917 8.0599 118.5575 59.4081 29.5852 179.0910 414 V 3.5565 7.9252 118.0172 65.9064 31.5526 177.5014 415 A 3.9728 7.8668 120.3249 55.6796 17.9393 179.3968 416 E 3.9509 7.8049 114.9673 59.0573 29.5950 178.8784 417 K 4.3564 8.1637 116.1050 55.2406 32.9279 177.1258 418 V 3.8227 7.3374 120.7728 63.4336 31.9449 175.3866 419 T 4.6605 8.7497 115.6826 61.7088 71.4071 173.7540 420 A 5.0771 7.7849 123.7649 50.4122 23.0241 174.7836 421 V 4.5684 8.8338 122.6952 61.0721 34.0106 174.2997 422 I 4.8101 8.6670 129.0612 59.5476 39.6181 174.4923 423 F 4.7522 8.5105 126.0932 55.7646 40.4729 175.2442 424 D 4.2482 8.7011 124.1532 53.7818 41.3984 175.7893 425 K 3.9352 9.0632 128.3247 59.8605 32.8573 176.4015 426 T 4.0873 7.6516 114.8764 64.6182 68.8152 175.9182 427 G 4.1335 8.8631 115.2641 45.7742 0.0000 173.8495 428 T 4.4187 7.6001 113.6807 64.6375 70.7551 176.0274 429 L 4.2551 8.1402 120.4480 55.1045 42.7904 176.4994 430 T 4.8159 7.4347 107.1058 59.5081 70.9843 174.6673 431 K 3.9722 8.4162 122.5354 59.0417 32.5426 177.8284 *550 L 4.1871 7.5417 116.5020 53.9784 42.8974 176.8557 551 K 4.1624 8.8363 122.3439 56.0795 32.6348 178.1758 552 E 3.9773 8.6763 119.8373 59.3487 29.7403 178.3225 553 S 4.2122 7.9597 112.3151 59.3560 63.8483 175.4628 554 A 3.6944 7.6628 124.2949 55.2471 17.9651 179.1460 555 K 3.7139 7.9001 116.7319 59.1982 32.3374 177.1973 556 P 4.2339 0.0000 0.0000 65.7013 31.1297 178.0772 557 A 3.9605 8.1015 120.6182 54.9144 18.2241 179.7570 558 V 3.5567 7.6612 116.7152 66.1370 31.6169 177.9505 559 Q 3.9289 8.0001 119.2832 59.1238 28.6705 177.8297 560 E 3.9004 8.0625 118.9537 59.4055 29.9563 178.2912 561 L 4.1625 8.1481 119.0766 57.9713 41.4806 179.8343 562 K 4.3480 8.0396 118.6342 58.5672 32.3426 180.6595 563 R 4.2571 8.2945 120.7861 55.6605 29.6421 177.1934 *565 G 3.8744 7.8430 103.4510 44.7955 0.0000 172.8430 566 I 4.4030 7.7642 121.0577 59.5934 39.3487 175.2049 567 K 4.4680 8.8603 126.0379 56.2079 33.3356 176.0059 568 V 4.6966 9.2828 125.5380 61.3314 33.8106 174.2371 569 G 4.4154 9.0027 116.4701 46.2052 0.0000 170.9605 *571 I 4.5818 8.3095 121.4474 61.6565 39.0464 174.9652 572 T 4.8237 8.7214 120.0130 60.9505 71.0682 174.2637 573 G 3.8901 8.6113 112.4459 45.3556 0.0000 174.1353 574 D 4.4843 7.9931 121.1064 53.5333 41.6374 175.7037 575 N 4.7897 8.4449 118.9096 52.9939 39.0167 176.0099 576 W 4.0097 9.2692 122.6207 60.1209 29.1850 179.1984 577 R 4.0107 8.1641 117.4551 59.2971 29.5070 178.9539 578 S 4.0427 9.7480 113.7642 61.3074 62.4588 175.8040 579 A 3.9174 8.0880 123.6035 55.3341 18.0388 179.2515 580 E 4.0027 8.6774 117.7604 59.3256 29.7194 178.9358 581 A 4.0208 7.9962 120.9157 55.2276 18.3803 179.6979 582 I 3.6547 8.0739 118.6738 64.5107 37.0994 178.5184 583 S 4.0873 8.5396 114.4009 61.5642 62.0436 176.5542 584 R 3.9830 8.1181 120.7572 59.1184 29.5539 178.8058 585 E 3.9743 7.9317 117.6442 59.2402 29.6409 178.7617 586 L 4.2114 8.0199 116.0368 53.9718 42.4011 175.9864 587 N 4.1919 7.7604 116.5531 54.3628 37.6838 174.2531 588 L 4.2686 8.1408 116.1621 54.8549 42.4617 177.3760 589 D 4.7040 8.8291 121.3008 55.5690 41.9173 177.3381 590 L 4.8490 7.5737 117.4206 52.9016 45.6555 175.1192 591 V 4.5599 8.4230 121.1384 61.5373 34.5085 174.6278 592 I 4.4905 8.5539 128.6752 59.7564 38.9663 174.8371 593 A 4.4516 6.4896 128.8976 49.4073 21.3864 175.4269 594 E 3.6869 7.7334 115.1291 57.5086 27.3873 175.8592 595 V 4.1953 7.4867 117.9097 60.8960 32.7783 175.1707 596 L 4.2167 8.2749 127.4588 53.6648 42.3458 176.0627 597 P 4.2080 0.0000 0.0000 66.8733 30.6474 178.3987 598 H 4.2633 8.2173 114.0094 57.4352 28.9702 176.3867 599 Q 4.4608 8.0904 118.3597 56.1343 29.1038 177.5232 600 K 3.8825 7.6579 121.5710 59.8223 32.1592 178.5292 601 S 3.8700 8.0124 112.6887 61.6152 62.2733 175.8521 602 E 3.9594 7.9811 121.1955 59.2282 29.2213 178.4208 603 E 4.0386 7.9910 118.1085 59.1171 29.8888 179.1872 604 V 3.7403 7.8784 118.5624 65.8447 31.6363 177.8135 605 K 3.8632 7.9080 119.3201 59.6923 31.8908 178.7081 606 K 3.9848 7.9333 118.0338 59.5720 31.9719 179.2930 607 L 4.1755 7.8497 118.5959 57.3390 41.2976 178.6447 608 Q 4.6764 7.9201 116.3776 56.1015 28.5613 177.0927 609 A 4.3804 7.6613 122.0862 53.0945 19.1348 178.4174 610 K 4.5333 8.1100 113.5409 55.8227 34.6239 175.5868 611 E 4.6294 7.6946 116.6388 54.6755 33.9491 173.6926 612 V 4.3272 8.9298 120.6751 62.2564 32.6380 174.6856 613 V 4.8132 9.9567 129.9886 61.4409 33.5310 174.1439 614 A 5.0138 8.9752 130.4146 50.3480 21.1374 174.9625 615 F 4.9308 9.0939 125.9687 56.5273 41.9030 174.5715 616 V 4.5678 8.2899 126.8860 61.4535 33.2971 173.9342 617 G 4.4201 9.0522 117.7102 43.7715 0.0000 171.5536 618 D 4.9014 9.4060 119.4240 53.0936 40.2614 177.0083 619 G 4.2073 8.2941 111.4374 45.9630 0.0000 174.9669 620 I 4.0631 7.6923 119.1234 63.2821 37.7212 176.6406 621 N 4.7448 9.3719 116.3646 53.9107 38.7956 175.5076 622 D 4.8139 7.7314 117.0695 52.1116 40.7917 177.1170 623 A 3.9950 8.4988 124.2104 55.7440 18.2231 178.4803 624 P 4.1652 0.0000 0.0000 65.8898 31.1770 178.4901 625 A 3.5944 7.6573 120.3623 54.6254 17.8471 179.5696 626 L 3.9673 7.5532 115.9354 57.9002 41.8718 179.1154 627 A 4.1014 7.6999 119.5898 55.1080 18.3784 179.1609 628 Q 3.9821 7.8276 116.8908 58.3238 29.3735 176.4474 629 A 4.3355 7.3172 121.0934 52.2175 19.0787 176.8754 630 D 4.5634 8.6977 119.4114 56.7174 41.7331 177.2783 631 L 4.6672 7.8446 120.2301 53.3443 45.4644 175.3440 632 G 4.3142 9.8911 115.3536 45.0710 0.0000 171.8459 633 I 5.1733 9.0614 126.9326 59.5274 40.0102 174.5034 634 A 5.1222 8.9853 129.7231 50.5006 21.0061 175.8618 635 V 4.7206 7.8750 120.9160 60.9900 34.3697 176.8708 636 G 3.9228 8.7600 112.4077 47.0456 0.0000 174.7655 *645 S 4.4457 8.0816 112.7620 58.1497 64.0353 173.5630 646 G 4.1158 7.5972 104.1851 44.4658 0.0000 172.5831 647 D 4.6181 9.0859 121.2281 57.0481 41.1279 177.0633 648 I 4.6029 8.0710 118.4297 59.2833 40.4719 174.5444 649 V 4.7869 8.4645 125.7135 61.0274 33.7385 174.2714 650 L 4.8261 8.7316 128.1434 52.7722 43.5969 177.8519 651 I 3.9195 8.5493 118.0523 63.4408 38.2914 176.6360 652 R 4.3578 7.7711 119.7972 55.6363 30.7843 176.3700 653 D 4.5894 8.3334 117.8865 53.5299 40.4421 176.0508 654 D 4.3836 7.8250 120.9372 54.1134 41.1820 176.4597 655 L 4.1916 8.4976 127.6771 57.1089 41.5826 179.4082 656 R 4.0143 8.7130 119.1798 59.1489 29.9266 178.5257 657 D 4.4052 8.3078 118.9038 56.9866 40.8448 178.9887 658 V 3.6035 7.5995 118.6713 66.0266 31.7689 178.1779 659 V 3.6813 7.9110 117.6345 65.5871 31.0411 177.9413 660 A 3.9949 7.8931 120.0248 54.7733 18.3939 178.8861 661 A 4.1087 7.8692 118.2577 55.6954 18.5461 179.6811 662 I 3.7887 7.4109 116.2676 64.3241 37.2238 176.7199 663 Q 4.2564 7.7069 123.4727 56.4286 29.0402 175.5805 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 410 D 8.22 4.56 0.00 2.84 2.91 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 0.00 411 A 7.96 3.77 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 0.00 412 L 8.61 4.05 0.00 1.63 1.75 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 413 E 8.06 4.09 0.00 2.40 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 2.40 2.31 0.00 414 V 7.93 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 0.87 0.00 0.00 1.03 0.00 0.00 415 A 7.87 3.97 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 0.00 416 E 7.80 3.95 0.00 2.13 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 2.55 2.51 0.00 417 K 8.16 4.36 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 418 V 7.34 3.82 2.18 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 0.82 0.00 0.00 0.99 0.00 0.00 419 T 8.75 4.66 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 1.27 0.00 0.00 420 A 7.78 5.08 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 0.00 421 V 8.83 4.57 1.94 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 0.31 0.00 0.00 0.84 0.00 0.00 422 I 8.67 4.81 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 1.24 1.16 0.92 0.00 0.00 423 F 8.51 4.75 0.00 2.86 2.85 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 0.00 424 D 8.70 4.25 0.00 2.44 2.54 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 0.00 0.00 0.00 0.00 425 K 9.06 3.94 0.00 1.92 1.72 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.38 7.81 426 T 7.65 4.09 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 1.20 0.00 0.00 427 G 8.86 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 0.00 428 T 7.60 4.42 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 429 L 8.14 4.26 0.00 1.82 1.57 0.84 -0.14 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 0.00 430 T 7.43 4.82 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 431 K 8.42 3.97 0.00 1.75 1.89 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.38 7.81 *550 L 7.54 4.19 0.00 1.61 1.57 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 551 K 8.84 4.16 0.00 1.69 1.68 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 552 E 8.68 3.98 0.00 2.03 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 0.00 2.26 2.34 0.00 553 S 7.96 4.21 0.00 3.98 4.12 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 0.00 554 A 7.66 3.69 1.23 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 0.00 0.00 0.00 555 K 7.90 3.71 0.00 1.83 1.78 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 556 P 0.00 4.23 0.00 2.28 2.27 0.00 3.70 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 2.18 2.00 0.00 557 A 8.10 3.96 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 0.00 558 V 7.66 3.56 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 1.15 0.00 0.00 0.88 0.00 0.00 559 Q 8.00 3.93 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 560 E 8.06 3.90 0.00 2.05 2.15 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 2.34 2.42 0.00 561 L 8.15 4.16 0.00 1.94 1.76 0.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 562 K 8.04 4.35 0.00 1.90 1.89 0.00 1.80 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.64 7.81 563 R 8.29 4.26 0.00 1.90 2.06 0.00 3.29 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 *565 G 7.84 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 0.00 566 I 7.76 4.40 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.90 0.00 0.00 567 K 8.86 4.47 0.00 1.82 1.75 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.40 7.81 568 V 9.28 4.70 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 1.28 0.00 0.00 1.01 0.00 0.00 569 G 9.00 4.42 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 0.00 *571 I 8.31 4.58 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.98 0.00 0.00 572 T 8.72 4.82 4.17 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 1.03 0.00 0.00 573 G 8.61 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 0.00 574 D 7.99 4.48 0.00 2.68 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 0.00 575 N 8.44 4.79 0.00 3.03 2.97 0.00 0.00 5.98 8.88 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 0.00 576 W 9.27 4.01 0.00 3.45 3.34 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 0.00 577 R 8.16 4.01 0.00 2.02 2.03 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 578 S 9.75 4.04 0.00 3.77 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 0.00 579 A 8.09 3.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 E 8.68 4.00 0.00 2.47 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 2.40 2.45 0.00 581 A 8.00 4.02 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 0.00 582 I 8.07 3.65 2.01 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 1.55 0.86 0.88 0.00 0.00 583 S 8.54 4.09 0.00 3.93 4.08 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 0.00 0.00 0.00 584 R 8.12 3.98 0.00 2.08 1.97 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 585 E 7.93 3.97 0.00 2.16 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 2.34 2.48 0.00 586 L 8.02 4.21 0.00 1.58 1.67 0.83 1.19 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 0.00 587 N 7.76 4.19 0.00 2.80 2.88 0.00 0.00 7.17 7.63 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 0.00 588 L 8.14 4.27 0.00 1.82 1.63 0.95 0.85 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 0.00 589 D 8.83 4.70 0.00 2.81 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 0.00 590 L 7.57 4.85 0.00 1.68 1.54 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 591 V 8.42 4.56 2.29 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 0.84 0.00 0.00 1.01 0.00 0.00 592 I 8.55 4.49 1.88 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 1.39 0.62 1.01 0.00 0.00 593 A 6.49 4.45 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 E 7.73 3.69 0.00 1.99 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 0.00 2.22 2.20 0.00 595 V 7.49 4.20 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 0.99 0.00 0.00 0.93 0.00 0.00 596 L 8.27 4.22 0.00 1.77 1.58 0.94 1.00 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 0.00 597 P 0.00 4.21 0.00 2.17 2.30 0.00 3.69 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 2.01 2.04 0.00 598 H 8.22 4.26 0.00 3.16 3.38 0.00 5.68 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 0.00 599 Q 8.09 4.46 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 600 K 7.66 3.88 0.00 1.74 1.88 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.64 7.81 601 S 8.01 3.87 0.00 3.77 3.81 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 0.00 602 E 7.98 3.96 0.00 2.11 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 0.00 2.38 2.47 0.00 603 E 7.99 4.04 0.00 2.22 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 2.54 2.50 0.00 604 V 7.88 3.74 2.15 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 0.98 0.00 0.00 0.82 0.00 0.00 605 K 7.91 3.86 0.00 1.86 1.91 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 606 K 7.93 3.98 0.00 2.05 1.87 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.88 7.81 607 L 7.85 4.18 0.00 1.95 1.74 0.98 0.70 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 0.00 608 Q 7.92 4.68 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 609 A 7.66 4.38 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 0.00 610 K 8.11 4.53 0.00 1.73 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.53 7.81 611 E 7.69 4.63 0.00 2.02 1.80 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 2.30 2.35 0.00 612 V 8.93 4.33 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 0.96 0.00 0.00 0.96 0.00 0.00 613 V 9.96 4.81 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 1.01 0.00 0.00 1.00 0.00 0.00 614 A 8.98 5.01 1.16 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 0.00 615 F 9.09 4.93 0.00 3.12 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 0.00 616 V 8.29 4.57 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 0.95 0.00 0.00 0.46 0.00 0.00 617 G 9.05 4.42 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 0.00 618 D 9.41 4.90 0.00 2.85 2.93 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 0.00 619 G 8.29 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 I 7.69 4.06 1.88 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 1.45 0.90 0.92 0.00 0.00 621 N 9.37 4.74 0.00 2.69 2.85 0.00 0.00 6.93 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 0.00 622 D 7.73 4.81 0.00 2.86 2.86 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 0.00 623 A 8.50 4.00 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 0.00 624 P 0.00 4.17 0.00 2.20 2.29 0.00 3.62 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 1.99 2.00 0.00 625 A 7.66 3.59 0.09 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 0.00 626 L 7.55 3.97 0.00 1.81 1.78 1.21 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 627 A 7.70 4.10 1.26 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 0.00 0.00 628 Q 7.83 3.98 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 629 A 7.32 4.34 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 0.00 630 D 8.70 4.56 0.00 2.74 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 0.00 631 L 7.84 4.67 0.00 1.70 1.47 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 632 G 9.89 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 0.00 0.00 0.00 0.00 633 I 9.06 5.17 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.91 0.00 0.00 634 A 8.99 5.12 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 635 V 7.87 4.72 2.11 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 1.02 0.00 0.00 0.97 0.00 0.00 636 G 8.76 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 0.00 0.00 0.00 *645 S 8.08 4.45 0.00 3.88 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 0.00 646 G 7.60 4.12 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 0.00 647 D 9.09 4.62 0.00 2.76 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 0.00 648 I 8.07 4.60 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.92 0.00 0.00 649 V 8.46 4.79 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 0.83 0.00 0.00 0.94 0.00 0.00 650 L 8.73 4.83 0.00 1.62 1.55 0.97 0.65 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 0.00 651 I 8.55 3.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.92 0.00 0.00 652 R 7.77 4.36 0.00 2.02 1.88 0.00 3.11 0.00 0.00 3.77 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 653 D 8.33 4.59 0.00 2.77 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 0.00 654 D 7.82 4.38 0.00 2.69 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 0.00 655 L 8.50 4.19 0.00 1.66 1.67 0.67 1.05 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 0.00 656 R 8.71 4.01 0.00 1.92 1.98 0.00 3.12 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 657 D 8.31 4.41 0.00 2.86 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 0.00 658 V 7.60 3.60 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 1.07 0.00 0.00 1.00 0.00 0.00 659 V 7.91 3.68 2.23 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 0.98 0.00 0.00 1.06 0.00 0.00 660 A 7.89 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 0.00 661 A 7.87 4.11 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 0.00 662 I 7.41 3.79 1.87 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 1.38 0.43 0.91 0.00 0.00 663 Q 7.71 4.26 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.