NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 541 S 4.4874 8.3349 117.1007 57.8054 64.7203 174.3368 542 N 4.4717 8.0582 113.8230 53.5879 39.0577 173.7764 543 A 4.0844 8.6644 123.3041 52.0248 19.8835 176.8820 544 N 4.5272 8.5220 120.1719 52.6532 39.3856 175.2093 545 V 3.7550 8.3678 121.2943 63.6541 32.3086 175.4916 546 G 3.9515 8.9002 115.6030 45.6912 0.0000 172.4165 547 V 4.9024 8.2395 126.0942 61.3267 33.9142 174.2737 548 F 5.1401 9.3012 126.3740 55.7073 41.9450 174.1552 549 V 4.7406 9.0924 124.9633 61.5176 32.9133 174.4238 550 L 4.7593 9.0449 128.3888 53.1399 45.2218 175.7832 *552 H 4.6036 8.7101 118.5103 55.3305 29.7168 172.9757 553 G 4.2031 8.7784 109.5280 43.0598 0.0000 173.0988 554 D 4.5400 8.4903 119.8394 57.2935 40.9019 178.8700 555 S 4.7573 7.7553 110.0856 59.1491 64.1717 175.9848 556 T 3.7700 8.2794 118.5745 67.4507 68.4360 175.6067 557 A 4.1614 8.2071 122.4213 55.3143 18.7942 178.8331 558 S 4.2315 8.4501 110.6604 61.6240 63.3042 177.1600 559 S 4.1806 8.3447 112.7155 58.6616 61.7137 175.1978 *561 L 4.2326 8.0412 122.2197 54.5696 43.6549 178.8723 562 K 3.9714 8.4049 118.3016 59.7534 31.8166 179.3175 563 T 3.8486 7.9753 115.7478 66.6005 68.3690 176.5239 564 A 3.9605 7.8767 121.9595 55.3361 18.5892 179.5378 565 Q 3.9954 8.4035 117.0125 59.1669 28.5339 179.0203 566 E 3.9865 8.3769 119.0375 59.4275 29.6173 179.1178 567 L 4.1255 8.0563 118.0619 56.9813 41.7410 178.5689 568 L 4.5258 7.8687 116.6962 53.2474 43.0369 176.2668 569 G 3.8288 8.2573 106.5936 46.9793 0.0000 173.3443 570 T 4.6642 7.7122 111.0635 60.0916 70.7901 172.9807 571 S 4.6481 8.4985 119.0408 57.8236 63.5234 174.2214 572 I 3.9025 7.1994 114.8150 60.9594 38.2416 176.0598 573 G 3.9195 8.8258 107.2609 45.6429 0.0000 173.1715 574 T 4.4032 8.2689 115.4917 61.3240 71.7739 173.7455 575 A 5.1760 8.0466 127.5247 49.5526 22.1176 173.5576 *577 N 4.4885 8.2282 112.5815 52.7345 38.4097 172.0544 *579 P 4.2803 0.0000 0.0000 63.0735 32.3554 177.4108 580 L 4.2044 8.4867 119.4681 58.0034 41.9717 178.8534 581 T 4.1555 6.9261 107.5714 61.0314 66.6106 173.3903 *583 E 4.1687 7.7683 126.8889 56.5822 31.3250 177.2355 584 V 3.8694 8.6303 121.3963 66.3610 31.9189 177.3604 585 Q 4.1772 8.2362 120.2209 59.5190 29.3242 178.5840 586 T 4.0958 7.5843 110.5510 64.4912 67.7831 175.3274 *588 Y 3.7553 8.0527 123.9824 57.4699 40.3310 177.0826 589 E 3.7703 8.2761 119.2525 59.0232 29.2049 179.2319 590 Q 3.8714 8.0277 119.9141 58.9216 29.1658 178.0253 591 L 3.7519 7.5364 120.7428 58.1063 42.2914 178.5837 592 R 3.5252 7.5082 118.9436 59.3457 29.6682 178.0210 593 N 4.2266 7.9489 115.3387 56.3554 38.8375 176.8835 594 Q 4.0789 7.7540 120.6267 59.1382 29.2483 178.0132 595 V 3.5930 7.5982 119.5702 66.1825 31.3150 177.5686 596 I 4.0347 7.5900 109.3231 62.3024 37.7846 176.8203 597 T 4.4187 7.6944 111.1102 62.0662 69.3239 174.6890 598 Q 4.6352 8.2555 121.3447 54.0880 29.3204 177.2178 599 K 3.8997 8.6080 119.9246 61.2250 32.3930 178.3182 600 E 4.0752 8.1688 118.2247 59.1253 29.2837 178.9520 601 S 4.4263 7.7771 112.3035 59.9503 63.2171 174.7708 602 L 4.7416 7.6061 122.4924 54.5952 41.8869 177.3431 603 N 4.5823 8.0963 115.0899 54.3229 37.2533 175.1725 604 N 4.6943 8.2574 115.5409 53.0930 39.2122 174.7482 605 G 3.9917 8.9635 106.2620 44.7593 0.0000 172.5417 606 I 5.1319 8.5208 118.0963 59.2888 41.1550 174.6213 607 L 5.1238 9.1324 129.0670 53.3727 44.3518 174.7316 608 L 5.1510 9.1251 127.1407 53.2710 44.1465 175.4714 609 L 5.1768 9.2424 124.4619 53.3220 43.6447 175.6781 610 T 5.7816 9.2501 113.8963 59.1328 72.3607 173.9535 611 D 4.4006 8.7254 119.9080 55.0619 41.1480 177.8510 *613 G 3.9978 8.1412 107.3912 45.1542 0.0000 174.8139 614 S 4.0983 7.9269 115.9160 60.9666 62.8920 176.1695 615 L 2.5488 7.5526 121.1659 56.3155 41.1748 178.5702 616 N 4.4694 7.7537 116.0088 55.3065 38.4928 176.6013 617 S 4.4593 7.6485 114.8423 60.0627 63.2778 176.2338 618 F 4.7752 8.2092 121.6303 60.3848 38.8687 177.3655 619 G 3.8836 8.2105 105.2015 47.7436 0.0000 176.7450 620 N 4.6375 7.5942 119.8915 53.1765 38.5582 176.5368 *622 L 4.4246 8.0474 119.3030 54.6824 44.1329 178.3651 623 F 4.4711 8.3443 121.3932 60.8979 39.0520 176.9247 624 E 3.6085 8.1904 117.2416 59.2189 29.2994 178.7384 625 E 4.0232 8.0274 118.0789 58.9399 30.0104 177.8626 626 T 4.3028 8.0337 107.7656 61.0605 69.9070 175.9806 627 G 3.6372 8.0208 108.9966 45.2035 0.0000 173.2082 628 I 4.1821 7.6151 122.0771 59.9530 38.1073 175.2227 629 R 4.1400 8.7380 126.0967 57.2075 30.9795 175.2222 630 T 5.1916 8.1790 121.4931 61.8672 72.4708 173.2294 631 K 4.5848 9.1459 124.2507 54.5264 36.2577 174.9688 632 A 5.2429 8.2964 122.3230 50.5853 22.4268 175.5241 633 I 4.5227 8.9303 122.8056 59.6213 40.5370 174.9409 634 T 4.7985 8.3340 117.8839 59.8888 69.1414 174.0952 *636 T 4.2522 8.2380 123.0237 63.4592 70.1402 173.5902 637 S 4.8036 8.3134 118.6606 56.2982 66.5751 174.5518 638 T 3.7670 8.4766 113.9147 64.9402 68.8807 176.2789 *640 I 4.0723 7.9375 123.2657 61.5585 39.1878 178.2185 641 V 3.5760 7.6887 118.8736 65.8811 31.1871 177.4060 642 L 3.9293 8.2856 120.3880 58.6932 41.6985 179.0238 643 E 3.9960 8.1001 116.3558 59.0091 29.5446 178.8574 644 A 4.1594 7.9456 120.3306 55.2339 18.8226 179.4292 645 I 3.8427 8.0335 118.6696 64.3969 36.6619 178.8098 646 R 3.7955 8.1240 115.3986 57.7325 29.6375 177.5120 *648 A 4.3162 7.9108 122.0860 52.0379 20.3828 179.8369 649 S 4.1850 8.1383 109.2781 60.9220 63.2337 175.4317 650 V 4.0277 7.4885 112.2072 61.0336 31.2309 176.6228 651 G 3.9266 8.1013 107.6595 45.5939 0.0000 174.5771 652 R 4.0715 7.7201 117.7691 55.8164 30.8179 177.3091 653 S 4.4732 8.3341 115.7814 57.5736 65.4644 175.1075 654 L 3.9482 8.3879 123.9393 58.6197 41.7699 179.0781 655 E 4.0346 8.1484 117.8309 59.5016 29.3608 178.9815 656 D 4.3717 8.0515 118.4314 57.3742 40.8726 178.8544 657 I 3.7079 7.9406 120.2840 64.5546 37.1684 177.7613 658 Y 4.1294 8.2075 120.2621 60.8759 38.5988 177.9173 659 Q 3.8720 8.3830 118.9345 59.3564 28.8708 178.8517 660 N 4.3226 8.4162 117.2602 56.4809 38.5380 177.6345 661 I 3.7260 7.9540 121.1555 64.4873 37.2267 178.5264 662 Q 3.9557 7.9058 118.9129 58.7386 28.4818 178.6054 663 L 3.9631 8.0401 121.3889 58.2700 42.1637 179.2640 664 S 4.1250 8.2674 115.1683 61.4941 62.8011 176.3855 665 F 4.1221 8.6271 123.7698 61.3932 39.1855 176.8177 666 E 3.8709 8.4057 118.9296 59.1321 29.3887 178.6011 667 S 4.0454 8.1603 113.2885 61.4344 62.3906 176.4504 668 V 3.4748 7.7145 120.8769 65.6964 31.2743 177.9005 669 V 3.4277 7.3867 118.0656 66.2191 31.0826 178.0261 670 R 3.9574 7.7176 116.6386 59.5053 29.8655 178.0140 671 E 4.0638 8.3424 118.5544 59.1662 29.1924 178.9382 672 Q 3.7401 8.0388 119.2202 58.7044 29.0906 177.6708 673 F 4.8175 7.4789 115.0199 57.2418 39.2595 177.3964 674 R 4.1384 7.6672 122.0934 59.7457 30.0180 177.0816 675 S 4.3383 7.7944 117.5166 58.1194 63.4329 175.5918 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 541 S 8.33 4.49 0.00 3.65 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 0.00 542 N 8.06 4.47 0.00 2.79 2.89 0.00 0.00 6.88 6.46 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 0.00 543 A 8.66 4.08 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 0.00 544 N 8.52 4.53 0.00 2.72 2.82 0.00 0.00 6.99 7.68 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 0.00 545 V 8.37 3.76 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 0.79 0.00 0.00 1.05 0.00 0.00 546 G 8.90 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 0.00 547 V 8.24 4.90 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 1.01 0.00 0.00 0.94 0.00 0.00 548 F 9.30 5.14 0.00 2.95 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 0.00 549 V 9.09 4.74 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 0.97 0.00 0.00 0.94 0.00 0.00 550 L 9.04 4.76 0.00 1.53 1.53 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *552 H 8.71 4.60 0.00 3.29 3.30 0.00 5.69 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 0.00 553 G 8.78 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 0.00 0.00 0.00 0.00 554 D 8.49 4.54 0.00 2.69 2.75 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 0.00 0.00 0.00 555 S 7.76 4.76 0.00 3.95 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 0.00 556 T 8.28 3.77 4.25 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 1.22 0.00 0.00 557 A 8.21 4.16 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 0.00 558 S 8.45 4.23 0.00 4.04 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 0.00 559 S 8.34 4.18 0.00 3.88 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 *561 L 8.04 4.23 0.00 1.83 1.80 0.93 0.62 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 0.00 562 K 8.40 3.97 0.00 1.91 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.57 7.81 563 T 7.98 3.85 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 1.21 0.00 0.00 564 A 7.88 3.96 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 0.00 565 Q 8.40 4.00 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 566 E 8.38 3.99 0.00 1.96 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 0.00 2.34 2.48 0.00 567 L 8.06 4.13 0.00 1.81 1.73 0.92 0.95 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 0.00 568 L 7.87 4.53 0.00 1.67 1.69 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 569 G 8.26 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 0.00 0.00 0.00 570 T 7.71 4.66 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 1.20 0.00 0.00 571 S 8.50 4.65 0.00 3.97 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 0.00 572 I 7.20 3.90 1.82 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 1.21 0.56 0.89 0.00 0.00 573 G 8.83 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 0.00 574 T 8.27 4.40 3.47 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 1.28 0.00 0.00 575 A 8.05 5.18 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 *577 N 8.23 4.49 0.00 2.77 3.12 0.00 0.00 6.76 8.02 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 *579 P 0.00 4.28 0.00 2.26 2.24 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 580 L 8.49 4.20 0.00 1.67 1.78 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 581 T 6.93 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 *583 E 7.77 4.17 0.00 2.09 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 0.00 2.33 2.28 0.00 584 V 8.63 3.87 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 1.01 0.00 0.00 1.00 0.00 0.00 585 Q 8.24 4.18 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.94 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 586 T 7.58 4.10 4.41 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 1.24 0.00 0.00 *588 Y 8.05 3.76 0.00 1.95 2.87 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 0.00 589 E 8.28 3.77 0.00 2.13 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 2.34 2.53 0.00 590 Q 8.03 3.87 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 591 L 7.54 3.75 0.00 1.71 1.49 0.31 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 592 R 7.51 3.53 0.00 0.84 1.40 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.85 0.00 593 N 7.95 4.23 0.00 2.70 2.83 0.00 0.00 7.04 7.37 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 0.00 594 Q 7.75 4.08 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 595 V 7.60 3.59 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 0.92 0.00 0.00 0.52 0.00 0.00 596 I 7.59 4.03 1.84 0.00 0.00 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 1.81 0.67 0.89 0.00 0.00 597 T 7.69 4.42 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 0.00 598 Q 8.26 4.64 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 599 K 8.61 3.90 0.00 1.82 1.92 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.71 7.81 600 E 8.17 4.08 0.00 1.98 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 0.00 2.40 2.31 0.00 601 S 7.78 4.43 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.74 0.00 1.88 1.73 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 603 N 8.10 4.58 0.00 2.87 2.95 0.00 0.00 6.74 7.32 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 0.00 604 N 8.26 4.69 0.00 2.83 2.87 0.00 0.00 7.28 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 0.00 605 G 8.96 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 0.00 606 I 8.52 5.13 1.90 0.00 0.00 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 1.24 0.86 0.92 0.00 0.00 607 L 9.13 5.12 0.00 1.79 1.58 1.04 0.87 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 0.00 608 L 9.13 5.15 0.00 1.65 1.63 1.05 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 609 L 9.24 5.18 0.00 1.55 1.58 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 610 T 9.25 5.78 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 1.18 0.00 0.00 611 D 8.73 4.40 0.00 2.67 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 *613 G 8.14 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 0.00 0.00 0.00 614 S 7.93 4.10 0.00 4.04 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 0.00 615 L 7.55 2.55 0.00 1.47 1.36 0.82 0.34 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 0.00 616 N 7.75 4.47 0.00 2.76 2.86 0.00 0.00 6.99 6.85 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 0.00 617 S 7.65 4.46 0.00 4.21 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 0.00 618 F 8.21 4.78 0.00 3.09 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 0.00 619 G 8.21 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 0.00 0.00 0.00 620 N 7.59 4.64 0.00 2.92 2.84 0.00 0.00 6.91 6.54 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 L 8.05 4.42 0.00 2.06 1.91 0.75 0.90 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 0.00 623 F 8.34 4.47 0.00 3.19 3.25 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 0.00 624 E 8.19 3.61 0.00 1.92 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 2.65 2.45 0.00 625 E 8.03 4.02 0.00 1.98 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 0.00 2.28 2.35 0.00 626 T 8.03 4.30 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 1.19 0.00 0.00 627 G 8.02 3.64 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 0.00 628 I 7.62 4.18 1.92 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 1.21 1.16 0.99 0.00 0.00 629 R 8.74 4.14 0.00 1.91 1.80 0.00 3.06 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.00 630 T 8.18 5.19 4.41 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 1.27 0.00 0.00 631 K 9.15 4.58 0.00 1.38 0.94 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.52 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.99 0.96 7.81 632 A 8.30 5.24 1.20 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 0.00 0.00 0.00 633 I 8.93 4.52 1.88 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 1.27 1.01 0.75 0.00 0.00 634 T 8.33 4.80 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 1.25 0.00 0.00 *636 T 8.24 4.25 4.30 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 1.22 0.00 0.00 637 S 8.31 4.80 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 3.77 4.25 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 1.22 0.00 0.00 *640 I 7.94 4.07 2.01 0.00 0.00 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 1.37 1.00 0.90 0.00 0.00 641 V 7.69 3.58 2.21 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 1.09 0.00 0.00 0.94 0.00 0.00 642 L 8.29 3.93 0.00 1.88 1.67 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 643 E 8.10 4.00 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 644 A 7.95 4.16 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 0.00 645 I 8.03 3.84 1.93 0.00 0.00 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 1.53 1.14 0.90 0.00 0.00 646 R 8.12 3.80 0.00 1.94 2.03 0.00 3.13 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 1.63 1.65 0.00 *648 A 7.91 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 S 8.14 4.18 0.00 4.00 4.09 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 0.00 650 V 7.49 4.03 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 0.72 0.00 0.00 0.97 0.00 0.00 651 G 8.10 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 0.00 0.00 0.00 652 R 7.72 4.07 0.00 1.83 1.90 0.00 3.38 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 653 S 8.33 4.47 0.00 4.06 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 0.00 654 L 8.39 3.95 0.00 1.78 1.70 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 655 E 8.15 4.03 0.00 2.04 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 2.38 2.34 0.00 656 D 8.05 4.37 0.00 2.99 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 0.00 657 I 7.94 3.71 1.94 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 1.44 0.81 0.96 0.00 0.00 658 Y 8.21 4.13 0.00 3.10 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 0.00 659 Q 8.38 3.87 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 660 N 8.42 4.32 0.00 2.84 2.88 0.00 0.00 7.15 8.19 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 0.00 661 I 7.95 3.73 1.83 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 1.54 0.80 0.89 0.00 0.00 662 Q 7.91 3.96 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 663 L 8.04 3.96 0.00 1.88 1.83 0.92 0.85 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 0.00 664 S 8.27 4.12 0.00 4.10 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 0.00 665 F 8.63 4.12 0.00 3.16 3.23 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 0.00 666 E 8.41 3.87 0.00 2.25 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 2.48 0.00 667 S 8.16 4.05 0.00 4.04 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 0.00 668 V 7.71 3.47 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 0.90 0.00 0.00 0.91 0.00 0.00 669 V 7.39 3.43 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 1.04 0.00 0.00 0.35 0.00 0.00 670 R 7.72 3.96 0.00 1.94 2.06 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 671 E 8.34 4.06 0.00 1.95 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 2.44 2.42 0.00 672 Q 8.04 3.74 0.00 1.63 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 673 F 7.48 4.82 0.00 3.09 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 0.00 674 R 7.67 4.14 0.00 1.99 2.06 0.00 3.18 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 675 S 7.79 4.34 0.00 3.61 3.54 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 * Residues marked with a * may have inaccurate shift predictions.