NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 657 P 4.4103 0.0000 0.0000 62.3315 32.2112 175.8719 658 L 4.1083 7.7878 120.6298 54.8735 41.7439 177.7696 659 G 3.7544 7.2842 109.9725 47.4799 0.0000 174.8788 660 S 4.7425 7.6144 115.2553 54.9274 66.2591 173.9960 661 A 4.0545 8.8239 124.8006 55.6340 18.7608 178.0153 662 R 4.0768 7.1786 113.7295 56.8244 28.9102 176.6341 *665 Q 4.2915 7.7509 118.5215 56.0923 31.1443 177.8452 666 F 4.1467 7.9351 115.5732 59.1189 38.6990 174.9077 *668 D 4.4595 8.0655 116.7699 53.8170 42.4701 177.3871 *670 L 3.9362 7.9230 120.4173 54.8246 43.8000 179.2455 671 L 4.1241 7.7974 117.6482 58.0527 41.6818 179.5140 672 E 4.0520 8.1667 116.3167 58.6706 29.4132 178.0238 673 R 4.3533 7.8918 115.1451 55.2895 30.7406 176.0674 674 G 3.8429 7.8063 105.6193 46.3466 0.0000 174.4374 675 V 3.8223 7.5587 119.7247 62.3858 32.0192 175.8266 676 S 4.3808 9.3161 122.2247 58.3096 62.8126 173.6258 677 A 4.1462 8.2201 126.2350 52.3585 19.3901 177.7419 678 F 4.8717 7.6034 113.6920 54.2535 39.0953 172.8424 679 S 4.6021 7.4954 115.1309 58.2288 65.5607 173.9412 680 T 4.6771 8.3756 118.8195 61.6917 69.7637 174.8554 681 W 4.1249 9.3008 135.0000 60.8725 30.5125 178.5998 682 E 4.0414 8.3206 112.7575 57.3785 28.5830 177.7179 *684 E 4.2473 8.1196 120.1063 56.0710 31.7867 176.9445 685 L 3.2750 7.4960 121.4218 58.1313 42.1316 179.7386 686 H 4.1573 7.7791 115.2228 54.8215 27.4060 175.9691 *688 I 3.6351 7.7840 114.2757 61.5465 39.4097 177.8232 689 V 2.3857 7.2143 120.1179 63.2625 31.0415 176.6721 690 F 4.5757 7.1557 113.3821 56.3494 38.5833 174.5907 691 D 4.5185 7.2815 123.2668 52.4219 42.1090 174.9910 692 P 4.2304 0.0000 0.0000 66.1824 31.4227 178.4660 693 R 4.1551 8.6089 115.9709 58.4526 29.7035 178.1403 694 Y 4.2722 8.4274 119.5806 60.1363 38.8628 176.7806 695 L 4.3783 7.7695 117.4030 55.3957 42.0786 177.3186 696 L 4.3635 7.6456 118.2921 55.2803 42.2520 176.6665 697 L 4.8218 7.3138 117.8005 52.3245 45.0688 175.9032 698 N 4.5977 8.3822 119.1700 51.5143 38.2355 174.7698 699 P 4.1283 0.0000 0.0000 63.1969 31.2821 177.6629 *701 E 4.2030 8.3520 119.5775 56.6605 31.3095 178.5950 702 R 2.7111 7.6111 115.2008 57.3531 30.5502 178.3190 *704 Q 4.1708 8.1495 117.7728 56.1013 30.6810 177.9451 705 V 3.6936 7.6009 116.8099 65.6167 31.3315 177.9781 706 F 4.3496 8.3548 120.6506 61.5799 39.1749 176.6689 707 D 4.3887 8.3981 116.6677 57.7354 40.6778 178.4715 708 Q 4.0789 7.9658 118.8688 59.2789 29.4730 177.1983 709 Y 4.1947 8.1973 120.7393 60.3049 38.8516 177.0541 710 V 3.3724 7.7607 118.0972 63.6950 31.5666 177.5004 *712 T 4.1892 7.8114 115.8665 63.1328 70.5142 176.3095 713 R 3.7215 7.5286 120.4880 58.9316 29.8540 178.4201 714 A 3.8884 7.5642 120.3882 55.1905 18.4056 179.4950 715 E 3.9415 8.0038 116.6271 59.5819 29.5247 179.2704 716 E 3.9742 8.1612 118.7220 59.1537 29.2284 179.1422 717 E 3.8876 7.9472 118.5380 59.1956 29.9148 178.0536 718 R 4.0749 8.0649 117.8651 59.9149 30.1046 178.2367 719 R 4.0865 7.8070 115.8631 58.5833 31.5461 176.8474 720 E 4.1082 8.0160 119.7782 56.2980 26.7645 176.4696 *723 N 4.4638 7.7083 113.9290 53.3127 40.8208 175.7422 *725 I 3.9328 7.6774 115.9899 61.3443 38.5768 177.3031 *727 Q 4.1916 7.9543 123.6913 56.2322 30.6506 176.7944 728 A 4.1523 7.6164 117.7825 52.8166 17.6427 178.4302 *730 E 4.2873 8.0917 120.4408 57.1737 31.3910 176.2602 731 D 4.5440 7.7152 116.5658 55.7866 41.8816 176.4687 732 F 4.1903 8.1240 121.6248 58.5700 39.1916 174.4064 *758 S 4.5187 8.5229 122.9753 58.2506 63.7954 174.4317 759 R 4.3358 8.0507 116.2783 56.9458 30.2053 175.9085 760 F 4.8568 8.2182 120.3022 58.6545 39.6514 176.8526 *762 A 4.1213 8.0955 122.9549 51.5181 20.1023 178.4430 763 I 3.8819 6.7861 115.2684 61.1045 37.7057 176.1996 764 E 4.0009 8.4355 123.6868 58.4806 30.4640 177.3810 *768 D 4.6764 8.0587 117.9417 54.2856 42.6029 176.9865 769 R 4.3235 7.7252 112.5077 56.3348 29.5543 176.7892 770 E 4.7578 8.1881 118.3064 57.5782 31.9414 177.5626 771 A 4.3395 8.2335 119.2183 53.5914 19.0238 177.5849 772 L 4.6237 8.0873 115.5420 56.3559 42.6442 178.4957 773 F 4.4822 8.7103 119.5067 60.2279 39.1819 175.3296 774 N 4.6999 8.1743 116.1798 53.4661 39.4543 176.3619 775 E 4.0009 8.8884 121.0454 59.2189 30.2451 178.5962 776 F 4.1867 8.2617 120.4703 61.3441 40.1933 177.1924 777 V 3.0505 7.2066 120.5035 65.7706 31.3044 177.1050 778 A 4.2582 7.4965 117.9506 52.3587 18.0396 177.2892 779 A 4.5657 7.1732 117.9367 52.0224 20.5989 177.5832 780 A 3.9859 7.6404 117.7864 53.2995 19.1573 178.0397 781 R 4.0234 7.2776 114.7597 55.2987 29.2117 176.8040 *784 E 4.0014 8.1252 127.6175 56.0606 30.5467 176.9097 *786 E 4.2983 7.7110 120.5163 56.3890 31.7693 176.2160 787 D 4.4974 7.8304 117.8211 57.3491 39.8513 177.4949 788 S 4.3095 7.7461 115.2928 59.1995 63.1501 176.3329 *790 T 4.4580 8.0109 112.2011 61.7394 70.2321 175.0519 791 R 3.9762 7.6787 120.7202 58.2447 29.6922 176.8575 792 G 3.6096 6.7190 106.1755 48.3681 0.0000 174.7395 793 E 3.8711 7.8262 123.1514 55.5252 29.7854 178.3192 *795 I 3.9693 7.8475 116.2834 61.4505 39.0979 177.7863 *797 S 4.2633 7.8753 118.8273 58.6782 64.6852 175.9274 798 D 4.6224 7.9002 119.5312 56.9323 40.4673 178.2225 799 F 4.3182 8.0452 121.6676 60.9125 39.4393 177.5493 800 F 3.9886 8.1720 117.1757 60.4745 38.6249 177.0564 801 E 4.0678 8.4859 119.4208 58.4743 29.8265 178.1351 802 L 4.0869 8.0866 120.7312 58.3057 42.1409 179.0831 803 L 3.8931 7.6500 119.0312 57.5917 41.6712 179.2693 804 S 4.4753 8.3780 113.2135 60.2381 62.6905 175.5171 805 N 4.6017 7.9902 119.3353 54.3836 38.5939 174.2063 806 H 4.8033 7.8358 117.0795 54.0635 31.5475 173.7535 807 H 4.7228 8.6429 118.4338 54.7282 28.3542 174.9498 808 L 5.0444 8.2918 123.9189 53.0140 45.5328 176.3097 809 D 4.5660 8.5939 119.0465 52.7525 41.8774 175.7030 810 S 4.1122 8.6696 113.7073 62.2571 62.9069 175.9062 811 Q 4.1581 8.1390 118.3090 58.1811 28.6810 177.1089 812 S 4.3545 7.6697 113.4630 59.0171 63.3918 174.0010 813 R 4.8414 8.4548 121.9722 53.9259 32.6988 175.2761 814 W 3.9540 9.4117 133.2605 60.6466 30.6080 177.1244 815 S 3.8397 8.1485 110.6561 60.3468 62.3419 174.6086 *817 V 3.6636 7.4471 118.8906 62.8638 32.1973 175.0370 *819 D 4.1404 8.0142 114.0458 54.0761 41.7402 177.0407 *821 V 3.9396 7.7513 110.0069 60.7383 33.1986 177.5033 822 E 2.5400 7.5984 119.3488 58.3909 29.8325 178.4263 823 S 4.1648 7.7413 115.1833 61.0616 63.4192 174.4671 824 D 4.5004 7.5544 119.1318 53.5003 41.4514 175.4315 825 P 4.4403 0.0000 0.0000 65.5164 31.5569 177.9495 826 R 4.1847 9.2815 117.0198 58.2762 30.3405 176.1628 827 Y 4.7571 8.0765 118.8628 57.8702 38.7947 176.6781 *829 A 4.1474 7.9737 122.8438 51.3962 20.7808 177.8062 830 V 3.6452 7.5907 116.6242 62.4583 30.7091 175.8633 831 D 4.5226 8.4913 126.6456 53.5278 39.6397 176.2294 832 S 4.5315 7.3457 115.1881 56.4024 63.5880 174.5404 833 S 3.8929 8.7561 121.6505 61.3137 62.3740 175.3763 834 S 4.2704 7.5445 113.7874 58.9073 63.0848 176.4320 *836 R 3.4844 8.1448 120.3720 57.0197 31.7297 177.3238 837 E 2.8433 7.3759 115.1364 59.2350 29.5377 178.0540 838 D 4.5163 7.6825 117.1262 57.5321 41.2297 178.7663 839 L 4.3630 7.7486 118.5063 57.7500 41.2527 180.9405 840 F 4.4554 8.1248 119.7842 58.4645 39.3095 176.8834 *842 Q 4.2438 8.0825 117.0864 55.6881 30.4137 177.1372 843 Y 3.6923 8.2710 117.1909 59.4238 38.7801 176.1271 844 I 3.8716 6.7195 117.5126 61.0810 38.1775 175.2131 845 E 4.0105 7.5282 126.4848 56.2794 29.3667 176.0025 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 657 P 0.00 4.41 0.00 2.06 2.10 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 658 L 7.79 4.11 0.00 1.91 1.80 0.97 0.30 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 0.00 659 G 7.28 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 0.00 0.00 0.00 660 S 7.61 4.74 0.00 3.89 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 0.00 661 A 8.82 4.05 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 0.00 662 R 7.18 4.08 0.00 1.88 1.87 0.00 3.27 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 *665 Q 7.75 4.29 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.44 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 666 F 7.94 4.15 0.00 2.93 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 *668 D 8.07 4.46 0.00 3.04 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 *670 L 7.92 3.94 0.00 1.15 0.52 0.81 0.61 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 0.00 671 L 7.80 4.12 0.00 1.95 1.78 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 672 E 8.17 4.05 0.00 1.93 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 2.35 2.57 0.00 673 R 7.89 4.35 0.00 1.67 1.90 0.00 3.33 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 674 G 7.81 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 0.00 675 V 7.56 3.82 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 0.97 0.00 0.00 0.87 0.00 0.00 676 S 9.32 4.38 0.00 3.94 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 0.00 677 A 8.22 4.15 0.57 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 0.00 0.00 0.00 678 F 7.60 4.87 0.00 3.05 2.99 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 0.00 679 S 7.50 4.60 0.00 3.90 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 0.00 680 T 8.38 4.68 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 681 W 9.30 4.12 0.00 2.75 2.97 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 0.00 682 E 8.32 4.04 0.00 2.03 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 2.38 2.48 0.00 *684 E 8.12 4.25 0.00 1.94 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 2.52 2.48 0.00 685 L 7.50 3.28 0.00 0.94 1.32 0.53 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 686 H 7.78 4.16 0.00 3.27 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *688 I 7.78 3.64 1.60 0.00 0.00 0.67 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 0.78 0.66 0.00 0.00 689 V 7.21 2.39 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 0.67 0.00 0.00 0.54 0.00 0.00 690 F 7.16 4.58 0.00 3.12 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 0.00 691 D 7.28 4.52 0.00 1.92 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 0.00 0.00 0.00 0.00 692 P 0.00 4.23 0.00 2.20 2.14 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 693 R 8.61 4.16 0.00 1.91 1.99 0.00 3.32 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 694 Y 8.43 4.27 0.00 2.98 3.07 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 0.00 0.00 0.00 695 L 7.77 4.38 0.00 1.86 1.75 0.98 1.07 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 0.00 696 L 7.65 4.36 0.00 1.73 1.73 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 697 L 7.31 4.82 0.00 1.13 1.18 0.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 698 N 8.38 4.60 0.00 2.86 2.89 0.00 0.00 7.02 7.05 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 0.00 699 P 0.00 4.13 0.00 1.96 2.03 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 *701 E 8.35 4.20 0.00 1.93 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 2.18 2.21 0.00 702 R 7.61 2.71 0.00 1.57 1.34 0.00 3.04 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.35 0.00 *704 Q 8.15 4.17 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 705 V 7.60 3.69 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 1.29 0.00 0.00 0.88 0.00 0.00 706 F 8.35 4.35 0.00 3.40 3.01 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 0.00 707 D 8.40 4.39 0.00 2.86 2.76 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 0.00 0.00 0.00 0.00 708 Q 7.97 4.08 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 709 Y 8.20 4.19 0.00 3.11 3.13 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 0.00 710 V 7.76 3.37 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 0.75 0.00 0.00 0.38 0.00 0.00 *712 T 7.81 4.19 4.34 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 1.15 0.00 0.00 713 R 7.53 3.72 0.00 1.38 1.40 0.00 2.59 0.00 0.00 2.72 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 714 A 7.56 3.89 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 0.00 715 E 8.00 3.94 0.00 1.98 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 2.38 2.36 0.00 716 E 8.16 3.97 0.00 2.12 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 2.30 2.35 0.00 717 E 7.95 3.89 0.00 2.12 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 0.00 2.37 2.35 0.00 718 R 8.06 4.07 0.00 2.07 2.00 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 719 R 7.81 4.09 0.00 1.96 1.97 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 720 E 8.02 4.11 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 2.33 2.37 0.00 *723 N 7.71 4.46 0.00 2.86 2.87 0.00 0.00 7.22 7.45 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 *725 I 7.68 3.93 1.87 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 1.29 1.03 0.91 0.00 0.00 *727 Q 7.95 4.19 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.17 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 728 A 7.62 4.15 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 *730 E 8.09 4.29 0.00 1.96 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 2.19 2.40 0.00 731 D 7.72 4.54 0.00 2.84 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 0.00 732 F 8.12 4.19 0.00 3.01 3.08 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 *758 S 8.52 4.52 0.00 3.94 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 0.00 759 R 8.05 4.34 0.00 1.93 2.09 0.00 3.33 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 760 F 8.22 4.86 0.00 3.06 3.08 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 *762 A 8.10 4.12 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 0.00 763 I 6.79 3.88 1.39 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.18 0.66 0.00 0.00 764 E 8.44 4.00 0.00 1.87 1.92 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 2.20 2.24 0.00 *768 D 8.06 4.68 0.00 2.81 2.65 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 0.00 769 R 7.73 4.32 0.00 1.42 1.57 0.00 2.64 0.00 0.00 2.79 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.62 0.00 770 E 8.19 4.76 0.00 2.07 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 2.31 2.26 0.00 771 A 8.23 4.34 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 0.00 772 L 8.09 4.62 0.00 1.96 2.32 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 773 F 8.71 4.48 0.00 3.57 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 0.00 774 N 8.17 4.70 0.00 2.99 2.87 0.00 0.00 6.49 8.90 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 0.00 775 E 8.89 4.00 0.00 2.19 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 0.00 2.38 2.31 0.00 776 F 8.26 4.19 0.00 2.89 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 0.00 777 V 7.21 3.05 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 0.76 0.00 0.00 0.50 0.00 0.00 778 A 7.50 4.26 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 0.00 779 A 7.17 4.57 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 0.00 780 A 7.64 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 781 R 7.28 4.02 0.00 1.77 1.85 0.00 3.13 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 *784 E 8.13 4.00 0.00 2.12 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 2.24 2.42 0.00 *786 E 7.71 4.30 0.00 1.93 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 0.00 2.17 2.33 0.00 787 D 7.83 4.50 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 788 S 7.75 4.31 0.00 3.95 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 *790 T 8.01 4.46 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 1.22 0.00 0.00 791 R 7.68 3.98 0.00 1.91 1.97 0.00 3.31 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 792 G 6.72 3.61 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 0.00 0.00 0.00 793 E 7.83 3.87 0.00 1.93 1.96 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 2.28 2.32 0.00 *795 I 7.85 3.97 1.95 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 1.39 0.89 0.82 0.00 0.00 *797 S 7.88 4.26 0.00 3.98 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 0.00 798 D 7.90 4.62 0.00 2.72 2.78 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 0.00 799 F 8.05 4.32 0.00 3.18 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 0.00 800 F 8.17 3.99 0.00 3.18 2.97 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 0.00 801 E 8.49 4.07 0.00 2.07 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 2.34 2.21 0.00 802 L 8.09 4.09 0.00 1.87 1.75 1.01 0.87 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 0.00 803 L 7.65 3.89 0.00 1.06 1.26 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 804 S 8.38 4.48 0.00 4.07 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 0.00 805 N 7.99 4.60 0.00 2.96 2.87 0.00 0.00 6.79 7.43 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 0.00 806 H 7.84 4.80 0.00 3.23 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 H 8.64 4.72 0.00 3.15 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 L 8.29 5.04 0.00 1.74 1.66 1.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 809 D 8.59 4.57 0.00 2.78 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 0.00 810 S 8.67 4.11 0.00 3.85 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 0.00 811 Q 8.14 4.16 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 812 S 7.67 4.35 0.00 4.25 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 0.00 813 R 8.45 4.84 0.00 1.81 1.90 0.00 3.28 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 814 W 9.41 3.95 0.00 3.07 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 0.00 815 S 8.15 3.84 0.00 3.85 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 *817 V 7.45 3.66 1.72 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 0.75 0.00 0.00 1.08 0.00 0.00 *819 D 8.01 4.14 0.00 2.57 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 *821 V 7.75 3.94 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 0.73 0.00 0.00 0.91 0.00 0.00 822 E 7.60 2.54 0.00 1.63 1.57 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 2.04 2.15 0.00 823 S 7.74 4.16 0.00 3.82 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 0.00 824 D 7.55 4.50 0.00 2.74 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 0.00 825 P 0.00 4.44 0.00 2.13 2.14 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 826 R 9.28 4.18 0.00 1.93 2.24 0.00 3.33 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 827 Y 8.08 4.76 0.00 3.15 3.24 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 *829 A 7.97 4.15 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 0.00 830 V 7.59 3.65 1.77 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 0.59 0.00 0.00 0.58 0.00 0.00 831 D 8.49 4.52 0.00 2.78 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 0.00 832 S 7.35 4.53 0.00 4.00 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 0.00 833 S 8.76 3.89 0.00 3.89 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 0.00 834 S 7.54 4.27 0.00 4.04 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 *836 R 8.14 3.48 0.00 1.95 1.87 0.00 2.84 0.00 0.00 2.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.59 0.00 837 E 7.38 2.84 0.00 1.81 1.96 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 2.16 2.08 0.00 838 D 7.68 4.52 0.00 2.61 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 0.00 839 L 7.75 4.36 0.00 1.85 2.22 0.48 0.99 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 0.00 840 F 8.12 4.46 0.00 2.86 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 *842 Q 8.08 4.24 0.00 2.59 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 843 Y 8.27 3.69 0.00 2.18 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 0.00 844 I 6.72 3.87 1.50 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.09 0.79 0.00 0.00 845 E 7.53 4.01 0.00 1.80 1.90 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 2.26 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.