NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 649 P 4.4204 0.0000 0.0000 62.4303 32.7737 175.2641 650 L 4.3542 7.8466 123.5482 54.4661 45.3631 173.6361 651 G 3.8612 8.6702 106.8174 46.1522 0.0000 171.5901 652 S 4.8428 7.9971 112.8517 56.7404 65.0789 175.1358 653 R 4.6694 8.4545 123.8849 54.4186 32.7879 174.7017 654 L 4.4930 8.8289 125.2136 54.2620 43.1942 176.2367 655 F 5.3179 8.9399 121.3838 55.7934 41.3192 174.5809 656 S 4.9319 9.1974 116.7482 56.8783 67.2133 172.4178 657 R 5.1826 8.6508 119.1638 54.6202 33.0805 173.9725 658 F 4.9021 9.9220 127.2646 56.5976 42.9886 172.8965 659 D 5.1210 7.6791 125.7423 52.5957 41.6859 175.9163 660 D 4.5105 9.0766 124.6174 53.9764 42.6325 178.0228 661 G 3.8074 8.5828 110.3572 45.9110 0.0000 175.1420 *666 R 4.2433 8.9632 120.0317 55.3496 31.6819 174.6167 667 E 4.3284 8.1474 117.9829 55.5839 30.3602 175.9893 668 G 4.2847 8.4134 110.7843 43.4034 0.0000 171.4647 669 W 5.1776 8.0816 127.5075 54.9379 33.9799 176.0622 670 F 4.0338 6.2249 120.6814 59.4590 38.4693 175.6290 671 S 4.8044 6.6507 113.5550 55.6684 65.0325 174.2280 672 V 3.7037 8.4038 124.6404 64.7242 31.2612 176.5032 673 T 3.7213 7.6806 117.2160 61.9925 68.3386 173.1186 674 P 4.4080 0.0000 0.0000 62.2693 33.3703 176.6306 675 E 3.1841 8.1100 121.5179 59.5322 29.1187 179.7764 676 K 4.0232 7.6705 117.5898 59.2834 31.9724 179.1003 677 I 3.3730 7.7266 118.3772 63.6264 38.0635 177.3901 678 A 3.7137 7.8978 121.7767 54.9949 18.0600 179.0245 679 E 3.6196 8.2976 117.9862 59.6682 29.6723 178.5049 680 H 3.9228 8.0847 118.2498 59.2317 29.8251 177.0874 681 I 3.6609 8.4380 122.2626 64.5453 36.9966 178.3705 682 A 4.1764 8.2507 121.8205 54.8057 17.5902 179.9218 683 G 3.4890 8.1483 104.7680 48.0794 0.0000 176.1444 684 R 4.0547 7.6590 117.9280 58.3454 29.9620 178.8187 685 V 3.8737 8.0890 120.4159 64.6940 31.2753 178.5259 686 S 4.2682 8.0186 113.7118 60.8377 62.9202 176.0581 687 Q 4.1716 7.5526 120.5045 57.5394 28.7358 176.7747 688 S 4.3433 7.3695 116.0769 57.6384 63.5333 173.2483 689 F 4.3654 8.7999 124.5552 59.4879 39.0964 175.0262 690 K 3.5078 8.1756 128.5682 57.7440 29.2571 176.2199 691 C 4.5254 7.5307 117.4749 58.3400 27.4813 173.1074 692 D 4.7907 9.2087 124.2267 53.7394 43.0721 177.0674 693 V 4.6970 7.8097 118.9548 60.7438 34.6276 174.6169 694 V 4.7630 8.4945 127.0877 59.7635 34.5275 174.6384 695 V 4.3044 8.5937 124.6181 61.9377 32.9733 174.3106 696 D 4.9560 8.6759 129.0333 52.9966 40.8344 176.4531 697 A 3.3415 8.3394 128.8456 53.7393 18.8715 177.5661 698 F 4.7620 7.8245 113.1699 55.7511 39.6279 174.1272 699 C 4.6449 9.5122 120.3555 58.6162 31.3268 176.3989 700 G 3.7130 8.2556 109.9815 47.3031 0.0000 174.6139 701 V 3.8954 8.1927 117.3832 61.3737 31.6828 176.9464 702 G 3.9714 8.3891 109.3955 45.4484 0.0000 175.8762 703 G 3.6086 8.1571 108.2148 47.9004 0.0000 175.9167 704 N 4.0038 8.0620 118.4129 55.8879 38.6604 177.2454 705 T 4.0259 8.1023 116.7866 67.0725 68.5217 176.1203 706 I 3.6193 8.0241 121.5854 64.5704 36.8591 178.5840 707 Q 3.8587 7.2291 117.2264 58.8014 28.6389 178.4536 708 F 4.3423 7.7672 118.5533 60.6242 39.0021 177.5791 709 A 4.0448 8.3056 120.4626 55.2101 17.9210 179.6737 710 L 4.0858 7.9728 116.8272 57.5995 41.7588 179.0387 711 T 4.1926 7.5299 108.2008 62.0850 70.3530 175.0024 712 G 3.8737 7.6163 110.3949 46.0783 0.0000 172.8693 *714 R 4.2975 7.4932 118.8983 56.3094 32.7539 175.5153 715 V 4.6847 8.6393 122.1200 61.1798 35.0885 174.3669 716 I 4.6254 8.5713 128.8281 60.0778 38.4481 174.3284 717 A 5.0714 8.6337 130.6656 50.2315 20.9210 175.3642 718 I 5.4232 8.4893 123.5033 58.9975 40.7168 174.4937 719 D 4.9464 8.3239 123.9653 53.1495 44.1376 175.8964 720 I 3.9501 8.6920 124.3352 62.1832 38.6946 175.3688 721 D 4.8213 8.3236 120.7984 52.1697 42.4817 175.0233 722 P 4.3029 0.0000 0.0000 65.5636 31.4536 178.6957 723 V 3.5226 7.9614 118.4770 65.8335 31.4176 177.9985 724 K 3.8723 7.9709 117.6424 59.5048 31.8618 179.1349 725 I 3.4134 7.4947 119.1668 64.2502 36.9183 178.2015 726 A 3.8172 7.8165 121.4115 55.2110 18.1896 179.6434 727 L 3.7793 7.8497 117.0467 57.8048 41.5864 179.6044 728 A 4.2914 7.9162 122.3370 54.5126 18.1004 179.6331 729 R 3.5985 7.3383 116.7973 59.4525 30.1364 178.8715 730 N 4.2545 7.6428 115.7863 56.4617 38.5843 176.9243 731 N 4.2797 7.9720 117.4454 56.5301 38.6470 177.0438 732 A 4.1188 8.3195 122.1143 55.4304 18.4399 179.5370 733 E 3.9282 8.0679 116.7725 59.6436 29.3581 179.5850 734 V 3.5860 7.6118 116.9266 66.2167 31.6380 176.8786 735 Y 4.3323 8.1082 113.2477 57.5174 37.9943 175.9080 736 G 4.0020 8.1697 108.2707 46.5075 0.0000 174.1190 737 I 4.6147 7.8667 110.3209 60.0060 38.5498 177.2503 738 A 4.1173 8.2480 127.1103 55.8087 18.3206 180.0107 739 D 4.5632 8.0017 113.4799 55.2008 39.9452 177.2129 740 K 4.2030 8.0421 119.3574 57.3671 32.6014 176.0136 741 I 4.7613 7.3111 119.3773 59.2352 39.8505 174.9944 742 E 4.4404 9.0443 126.6836 54.5866 30.9868 175.3553 743 F 4.9188 8.5628 124.0450 57.3088 40.3657 175.4867 744 I 4.5834 9.1580 123.3519 59.6763 40.9681 174.0738 745 C 4.5427 8.9681 128.4748 59.6681 31.6326 172.4611 746 G 3.9719 8.1777 113.1426 46.1462 0.0000 170.6982 747 D 4.7342 8.0936 119.5362 53.1606 41.4413 176.1291 748 F 4.0688 9.0310 129.5441 61.8261 38.8775 176.9757 749 L 3.7261 8.0081 117.1506 57.3396 41.4309 178.8541 750 L 4.2621 7.6365 117.5993 56.3776 42.2045 178.3791 751 L 4.4360 7.5646 117.9534 56.3929 42.1125 178.3968 752 A 3.6397 7.3489 121.1370 55.2922 17.9943 179.5279 753 S 4.0173 7.3477 109.4118 59.8167 62.7796 174.7565 754 F 4.9705 7.4594 119.0118 56.9382 39.8205 174.8853 755 L 4.7155 7.5554 120.3551 52.7366 43.5956 175.8298 756 K 4.4152 8.2187 121.0871 54.7283 34.2217 175.1360 757 A 4.5291 8.0776 126.9438 51.4670 21.8511 175.2009 758 D 4.6194 8.4416 119.5726 56.1860 41.8401 177.6661 759 V 4.6942 7.5430 116.8632 60.9763 35.6419 174.1104 760 V 4.6446 8.5482 126.4333 61.0395 34.3833 173.7187 761 F 5.0306 9.3709 131.1376 56.7422 41.2418 174.0979 762 L 4.6083 8.2171 126.6254 52.7992 43.8514 176.0906 763 S 4.8394 8.2555 118.4883 56.0716 61.8172 171.2915 764 P 3.2968 0.0000 0.0000 60.3660 32.4212 174.6177 765 P 4.4053 0.0000 0.0000 62.3062 31.8498 176.8018 766 W 5.0054 8.5059 121.6235 56.8714 30.1005 177.2508 767 G 4.0068 8.4173 107.3233 45.3128 0.0000 172.8545 *774 A 4.0472 7.9956 122.0507 51.5379 19.6450 177.3984 775 E 4.0641 8.9673 124.2941 58.5277 30.1458 176.5412 776 T 4.7673 7.5745 111.6915 60.0186 69.8056 173.1148 777 F 4.2457 9.1385 131.6726 57.3644 40.5231 173.7947 778 D 4.9330 7.8705 127.0460 52.6247 41.6090 176.9732 779 I 3.7874 8.7550 121.4603 63.4340 38.0395 178.6322 780 R 4.1981 8.1364 121.5714 58.8845 30.4797 177.1870 781 T 4.1167 6.9538 107.3714 59.8814 67.3872 174.2841 *784 S 4.1207 7.6310 115.8054 58.0775 63.0174 171.3376 785 P 4.6446 0.0000 0.0000 61.4522 32.7134 175.4685 786 D 4.5942 8.5621 115.9745 54.2021 41.7373 177.5899 787 G 4.0136 9.2030 114.6558 48.7929 0.0000 175.5071 788 F 4.1404 9.1770 120.6199 60.1785 38.9880 177.4476 789 E 4.0184 8.5964 118.5285 59.4239 29.6020 178.4712 790 I 3.9336 8.0966 119.9791 64.7301 37.2842 178.1616 791 F 3.8731 8.2134 120.8177 61.1064 38.9899 176.9801 792 R 3.9615 8.1942 117.4760 59.6627 29.6922 178.2280 793 L 4.0120 8.0344 118.6239 57.8024 41.5858 179.6697 794 S 4.2507 8.1193 115.2169 61.4435 62.2174 176.8660 795 K 4.4205 7.7645 122.5433 58.7048 31.4590 179.3971 796 K 3.6950 7.3971 117.0810 59.2482 31.9097 179.0540 797 I 3.9216 7.2530 119.2736 62.9883 37.8762 175.7722 798 T 4.2705 6.5861 110.8869 61.6963 70.5496 173.1678 799 N 4.5257 8.6504 121.5930 54.8871 39.4592 175.8492 800 N 5.0325 7.9981 116.3093 52.5395 38.0456 173.5084 801 I 5.0686 8.3061 123.2752 59.1167 41.3896 174.1780 802 V 4.8191 8.7305 125.8371 61.2659 34.1664 173.4219 803 Y 5.0242 9.2951 129.7325 55.8694 40.9591 173.8264 804 F 5.1702 9.2285 130.6263 57.2305 40.4420 174.8814 805 L 4.7244 8.3457 125.4518 51.8550 45.7921 174.5218 806 P 4.4780 0.0000 0.0000 62.2799 31.9522 177.3783 807 R 3.8616 8.5307 116.4220 59.3094 29.2932 177.2907 808 N 4.8637 7.4210 111.6543 52.4808 37.7278 174.4011 809 A 4.2499 7.3013 122.0910 52.4679 19.0947 178.6610 810 D 4.4286 8.2607 120.3832 54.4159 41.4025 177.2685 811 I 3.9245 8.2501 129.1231 63.8664 37.2324 178.0555 812 D 4.3637 8.1534 119.9021 57.2473 40.5147 178.2045 813 Q 4.0379 8.1130 118.7125 59.2520 29.3295 177.8436 814 V 3.5396 8.0898 119.4063 66.2157 31.6155 177.9323 815 A 4.0718 8.4425 120.8003 54.9837 18.1788 179.6860 816 S 4.2140 8.3242 112.8293 61.4098 62.7499 176.6736 817 L 3.7153 7.3811 121.8901 57.2082 41.2721 178.5373 818 A 4.4560 8.1322 119.5710 52.1349 18.5579 178.4511 819 G 4.0377 7.6326 102.2749 44.4023 0.0000 171.1688 820 P 4.3071 0.0000 0.0000 64.2287 31.2166 176.9069 821 G 3.9101 9.0815 111.3236 45.5434 0.0000 172.9642 822 G 4.1558 8.2326 107.4139 45.0971 0.0000 172.7676 823 Q 5.3013 8.5962 121.8513 54.3869 30.9328 175.1277 824 V 4.4160 8.4511 124.1825 59.9040 35.4769 173.4368 825 E 4.8538 8.6606 124.2285 54.6280 31.9954 174.5564 826 I 4.3685 8.3591 129.0012 59.7451 38.6790 174.1680 827 E 4.9504 8.9975 129.9417 54.3406 31.1104 174.7818 828 Q 4.6793 9.3186 127.3295 54.9930 30.7975 174.5677 829 N 5.4145 9.0111 122.4426 52.1365 40.3422 173.9181 830 F 5.0890 9.4061 124.0728 55.7193 41.5985 174.9505 831 L 4.7519 9.0225 125.8104 53.0529 43.9516 175.8684 832 N 4.2696 9.3617 127.2661 55.0129 36.9089 174.0289 833 N 4.1705 8.2006 111.0034 53.5107 37.2875 174.4344 834 K 4.7531 7.7155 120.0185 53.9803 34.2517 175.0439 835 L 3.6131 8.5926 127.9455 55.0422 42.6922 175.3276 836 K 4.5911 8.5570 124.7477 57.8454 34.1583 176.1630 837 T 4.6817 7.3866 107.5512 60.6346 72.4067 171.8442 838 I 4.9674 8.7934 115.2384 59.3202 41.3711 174.5782 839 T 5.0516 9.0924 120.3781 61.9497 71.2440 172.8204 840 A 4.8759 9.2190 129.5840 50.7715 21.0398 175.2159 841 Y 5.1677 8.9192 120.4980 56.3207 40.5368 175.0517 842 F 5.0395 8.9436 120.7554 56.1498 43.6994 175.9293 843 G 4.1769 9.0190 107.4477 46.7290 0.0000 175.2759 844 D 4.6994 9.2616 122.4377 55.8647 40.8592 177.2512 845 L 4.2939 7.5599 118.0658 56.4330 42.1031 177.6507 846 I 3.8170 7.2520 120.0635 62.4469 37.5602 176.2225 847 R 4.1825 9.5349 121.2952 56.3341 30.2796 175.6003 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 649 P 0.00 4.42 0.00 2.08 2.21 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 650 L 7.85 4.35 0.00 1.62 1.55 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 651 G 8.67 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 0.00 0.00 0.00 652 S 8.00 4.84 0.00 3.97 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 0.00 653 R 8.45 4.67 0.00 1.89 1.88 0.00 3.42 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 654 L 8.83 4.49 0.00 1.64 1.59 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 655 F 8.94 5.32 0.00 2.87 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 0.00 656 S 9.20 4.93 0.00 3.92 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 0.00 657 R 8.65 5.18 0.00 1.94 1.88 0.00 2.92 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 658 F 9.92 4.90 0.00 3.07 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 0.00 659 D 7.68 5.12 0.00 2.30 2.40 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 0.00 660 D 9.08 4.51 0.00 2.75 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 0.00 661 G 8.58 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 0.00 0.00 0.00 *666 R 8.96 4.24 0.00 1.84 2.02 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 667 E 8.15 4.33 0.00 1.96 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 2.30 2.30 0.00 668 G 8.41 4.28 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 0.00 669 W 8.08 5.18 0.00 3.19 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 0.00 670 F 6.22 4.03 0.00 2.02 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 0.00 671 S 6.65 4.80 0.00 3.68 4.04 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 0.00 672 V 8.40 3.70 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 0.85 0.00 0.00 0.89 0.00 0.00 673 T 7.68 3.72 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 0.75 0.00 0.00 674 P 0.00 4.41 0.00 2.18 1.99 0.00 3.70 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 675 E 8.11 3.18 0.00 1.16 1.17 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 1.80 1.47 0.00 676 K 7.67 4.02 0.00 2.07 2.01 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.39 7.81 677 I 7.73 3.37 1.95 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 1.56 1.80 1.19 0.00 0.00 678 A 7.90 3.71 1.14 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 0.00 0.00 679 E 8.30 3.62 0.00 2.11 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 2.24 2.35 0.00 680 H 8.08 3.92 0.00 2.54 2.70 0.00 5.84 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 0.00 681 I 8.44 3.66 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 1.08 0.00 0.00 682 A 8.25 4.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 G 8.15 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 684 R 7.66 4.05 0.00 1.91 1.98 0.00 2.87 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 685 V 8.09 3.87 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 1.14 0.00 0.00 1.03 0.00 0.00 686 S 8.02 4.27 0.00 4.09 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 0.00 687 Q 7.55 4.17 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 688 S 7.37 4.34 0.00 4.08 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 0.00 689 F 8.80 4.37 0.00 2.93 3.06 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 0.00 690 K 8.18 3.51 0.00 1.23 1.50 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.42 7.81 691 C 7.53 4.53 0.00 3.13 2.89 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 0.00 692 D 9.21 4.79 0.00 2.67 2.63 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 *774 A 8.00 4.05 1.29 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 0.00 0.00 775 E 8.97 4.06 0.00 1.94 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 0.00 2.28 2.29 0.00 776 T 7.57 4.77 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 1.18 0.00 0.00 777 F 9.14 4.25 0.00 3.10 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 0.00 778 D 7.87 4.93 0.00 2.59 2.28 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 0.00 779 I 8.75 3.79 1.72 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.82 0.00 0.00 780 R 8.14 4.20 0.00 2.02 2.25 0.00 3.12 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 781 T 6.95 4.12 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 1.15 0.00 0.00 *784 S 7.63 4.12 0.00 3.94 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 0.00 785 P 0.00 4.64 0.00 2.34 2.16 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 786 D 8.56 4.59 0.00 2.84 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 0.00 787 G 9.20 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 0.00 0.00 0.00 788 F 9.18 4.14 0.00 3.28 3.17 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 0.00 789 E 8.60 4.02 0.00 2.18 2.24 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 2.45 2.54 0.00 790 I 8.10 3.93 2.22 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 1.78 0.86 1.12 0.00 0.00 791 F 8.21 3.87 0.00 3.29 3.15 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 0.00 792 R 8.19 3.96 0.00 2.07 2.20 0.00 3.34 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 793 L 8.03 4.01 0.00 1.65 1.35 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 794 S 8.12 4.25 0.00 3.57 3.75 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 0.00 795 K 7.76 4.42 0.00 1.87 1.77 0.00 1.52 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.87 1.42 7.81 796 K 7.40 3.69 0.00 1.76 1.75 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.56 7.81 797 I 7.25 3.92 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.91 0.00 0.00 798 T 6.59 4.27 4.37 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 0.00 0.00 0.00 1.17 0.00 0.00 799 N 8.65 4.53 0.00 2.80 2.93 0.00 0.00 6.98 8.00 0.00 0.00 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 N 8.00 5.03 0.00 2.94 2.85 0.00 0.00 6.61 7.30 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 0.00 801 I 8.31 5.07 1.87 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.57 0.77 0.00 0.00 802 V 8.73 4.82 2.36 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 0.86 0.00 0.00 1.11 0.00 0.00 803 Y 9.30 5.02 0.00 3.27 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 0.00 804 F 9.23 5.17 0.00 3.03 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 0.00 805 L 8.35 4.72 0.00 1.23 1.10 0.63 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 806 P 0.00 4.48 0.00 1.86 1.48 0.00 3.03 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.44 0.00 807 R 8.53 3.86 0.00 1.92 2.15 0.00 2.92 0.00 0.00 3.52 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 808 N 7.42 4.86 0.00 3.09 3.02 0.00 0.00 6.88 7.73 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 0.00 809 A 7.30 4.25 1.15 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 0.00 0.00 810 D 8.26 4.43 0.00 2.88 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 0.00 811 I 8.25 3.92 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.76 0.94 0.00 0.00 812 D 8.15 4.36 0.00 2.94 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 0.00 813 Q 8.11 4.04 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 814 V 8.09 3.54 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 0.93 0.00 0.00 0.81 0.00 0.00 815 A 8.44 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 S 8.32 4.21 0.00 4.17 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 0.00 817 L 7.38 3.72 0.00 0.94 0.13 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 818 A 8.13 4.46 1.65 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 0.00 0.00 819 G 7.63 4.04 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 0.00 0.00 0.00 820 P 0.00 4.31 0.00 2.08 2.08 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 821 G 9.08 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 0.00 822 G 8.23 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 0.00 823 Q 8.60 5.30 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 824 V 8.45 4.42 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 0.60 0.00 0.00 0.26 0.00 0.00 825 E 8.66 4.85 0.00 2.01 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 2.22 2.21 0.00 826 I 8.36 4.37 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.19 0.62 0.00 0.00 827 E 9.00 4.95 0.00 2.35 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 0.00 2.49 2.32 0.00 828 Q 9.32 4.68 0.00 2.35 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 829 N 9.01 5.41 0.00 2.85 2.96 0.00 0.00 6.53 8.97 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 0.00 830 F 9.41 5.09 0.00 3.03 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 0.00 831 L 9.02 4.75 0.00 1.70 1.56 0.95 0.37 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 0.00 832 N 9.36 4.27 0.00 2.86 2.83 0.00 0.00 7.29 7.79 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 0.00 833 N 8.20 4.17 0.00 2.92 2.88 0.00 0.00 6.98 7.61 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 0.00 834 K 7.72 4.75 0.00 1.81 1.93 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 835 L 8.59 3.61 0.00 1.30 1.43 0.35 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 836 K 8.56 4.59 0.00 1.80 1.82 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.52 7.81 837 T 7.39 4.68 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 1.21 0.00 0.00 838 I 8.79 4.97 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.82 0.79 0.00 0.00 839 T 9.09 5.05 4.37 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 0.00 0.00 0.00 0.89 0.00 0.00 840 A 9.22 4.88 1.18 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 0.00 0.00 0.00 841 Y 8.92 5.17 0.00 2.85 2.89 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 0.00 842 F 8.94 5.04 0.00 3.19 3.10 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 0.00 843 G 9.02 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 0.00 0.00 0.00 0.00 844 D 9.26 4.70 0.00 2.89 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 0.00 845 L 7.56 4.29 0.00 2.03 2.00 1.21 0.92 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 0.00 846 I 7.25 3.82 1.99 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 1.34 0.52 0.90 0.00 0.00 847 R 9.53 4.18 0.00 1.91 2.32 0.00 3.09 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 * Residues marked with a * may have inaccurate shift predictions.