NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 601 K 4.2180 8.1727 122.0595 56.3285 34.0925 173.9715 602 V 4.6941 8.2822 127.4985 60.8146 32.1916 174.5429 603 F 4.4061 9.6717 128.3746 57.3827 40.1385 175.5507 604 G 3.7673 9.2139 109.3598 45.7606 0.0000 174.5779 605 R 3.1302 8.6217 120.4497 59.6076 30.0654 179.6062 606 C 4.2867 8.0445 115.4932 59.9168 35.8111 175.6473 607 E 3.8976 8.0965 120.5337 59.2167 29.2963 178.5382 608 L 3.7011 8.1874 120.2977 57.7665 42.0523 178.6739 609 A 3.9367 8.0992 120.6480 55.1845 18.2707 179.4959 610 A 3.9217 8.1886 119.0346 55.1592 18.3998 179.7641 611 A 3.9534 7.9731 119.2151 55.7025 18.4909 179.8727 612 M 3.8432 8.4922 117.5212 58.1150 31.9106 178.9965 613 K 3.9357 8.1387 120.1316 59.5282 32.1717 179.1594 614 R 3.9855 8.0261 117.5758 59.2982 29.9691 177.7545 615 H 4.5371 8.0739 113.7827 54.9700 28.8823 175.3083 616 G 3.8688 7.6897 108.1879 46.8661 0.0000 175.3560 617 L 3.7770 7.5383 120.6350 55.1245 42.4138 176.3533 618 D 4.4689 7.8620 117.6823 55.4297 40.7025 174.6282 619 N 4.4589 9.2935 125.2743 54.3119 38.1604 173.1401 620 Y 4.1605 8.3004 118.6747 57.8213 38.9128 175.7629 621 R 3.5400 9.2479 127.2406 57.3412 27.8399 177.1833 622 G 3.6707 8.5105 102.3390 45.7934 0.0000 173.4750 623 Y 4.5649 7.8698 118.4057 55.5973 38.7770 175.8433 624 S 4.7904 8.5544 120.0254 57.7848 64.1394 174.9040 625 L 4.3443 9.1146 123.7729 58.6653 41.5760 179.6059 626 G 3.9584 8.3947 105.0325 48.1650 0.0000 174.8998 627 N 4.4659 8.1364 118.3541 56.0997 38.5591 177.5871 628 W 3.9216 7.8523 119.5986 59.4867 29.1986 178.7368 629 V 3.5907 7.8732 118.2738 65.9960 31.0151 177.2126 630 C 2.5447 7.9228 117.9679 59.0338 44.3201 175.2500 631 A 3.9266 7.9404 122.0718 55.2416 17.9141 179.4107 632 A 3.9285 7.8913 119.1304 55.0210 18.4182 179.6071 633 K 2.4800 7.6304 117.9638 59.4288 31.9363 179.1587 634 F 4.0785 7.4879 116.2325 60.0730 38.8176 177.5032 635 E 4.2909 8.1375 118.3054 58.7001 29.8442 177.9937 636 S 4.5166 7.7210 108.8731 57.0684 64.8898 173.5667 637 N 3.9507 8.4217 116.7810 54.7127 36.2974 174.2646 638 F 3.9424 7.5933 111.7298 58.5529 36.8365 174.2856 639 N 5.3690 7.7653 120.2354 51.9154 39.2743 175.5907 640 T 3.9906 9.1088 118.3258 64.6281 68.8988 175.6766 641 Q 4.3926 8.2170 118.5061 55.5999 29.3958 175.6474 642 A 4.3168 7.8905 122.0635 52.5748 19.4030 177.0628 643 T 4.9460 8.2967 110.8595 59.9669 72.3378 172.8176 644 N 4.8898 8.6773 121.9986 51.9470 42.3902 172.7848 645 R 4.5482 8.6618 126.6522 55.6038 30.9922 175.2737 646 N 5.0237 9.1935 123.9604 51.6331 41.0018 176.3460 647 T 3.8797 8.5056 110.4918 64.6474 69.0365 174.9189 648 D 4.5367 8.0341 119.6192 53.2014 39.3751 177.1363 649 G 3.9028 7.9109 107.3080 45.5931 0.0000 173.8765 650 S 4.8437 8.2825 114.9069 57.4324 65.8168 173.3027 651 T 5.0573 9.1287 116.6077 62.0027 72.8459 172.7266 652 D 5.4700 9.1167 124.9650 53.4310 43.0110 175.2104 653 Y 5.0467 9.1054 120.1969 57.4048 42.1847 176.8236 654 G 4.6453 8.7889 110.0482 46.1960 0.0000 173.8525 655 I 3.9692 8.2554 116.9512 62.6806 37.7635 176.4650 656 L 4.5274 7.8515 116.9287 53.4408 42.5679 176.6191 657 Q 3.4283 7.9597 115.9086 57.1283 26.4705 173.5492 658 I 4.3107 8.3077 119.9041 60.4630 39.4371 176.4622 659 N 5.2638 9.1472 125.8665 53.8927 39.7994 175.3250 660 S 4.7596 8.9618 119.8336 59.2137 63.5394 175.1066 661 R 4.0405 10.4640 122.4505 58.1978 30.5635 177.9607 662 W 4.4953 8.4994 117.3615 56.9514 31.2122 177.2241 663 W 4.8497 8.2842 117.6472 57.7418 30.4419 174.1003 664 C 5.6901 8.2233 112.1375 53.6107 45.8928 172.2327 665 N 5.1667 8.8238 118.4211 51.7043 40.4468 174.5275 666 D 4.8496 8.7196 124.0294 52.5230 39.9569 176.9301 667 G 4.0118 9.4471 107.3340 46.4761 0.0000 174.6723 668 R 4.6865 8.5697 115.7723 55.8843 29.8858 175.0694 669 T 4.5511 7.9413 115.1258 61.7370 71.0777 172.3962 670 P 4.2280 0.0000 0.0000 63.8720 31.8634 176.2862 671 G 3.7839 8.7733 108.3028 46.2995 0.0000 173.5419 672 S 4.3621 8.0464 113.4623 58.3428 62.9022 173.8721 673 R 4.2944 8.6390 125.4706 55.8015 32.2831 175.9214 674 N 4.2253 8.1558 114.7685 54.3250 37.1301 175.0221 675 L 3.9521 8.1333 118.9233 58.1319 42.2224 178.4297 676 C 4.5666 8.7315 113.5594 56.6176 40.9487 173.1984 677 N 4.1475 8.1350 116.6220 53.3767 36.1906 173.3956 678 I 4.5162 8.2960 117.3793 58.9416 42.1309 171.8019 679 P 4.8644 0.0000 0.0000 62.2979 32.0269 178.3069 680 C 3.9593 8.7982 121.3012 60.0637 38.8347 176.6040 681 S 3.9470 7.9577 115.0995 61.4586 62.1292 176.2839 682 A 4.1219 7.9779 123.3497 54.1974 17.9131 178.5063 683 L 4.4196 8.1213 116.7808 55.1081 41.5963 177.6106 684 L 4.9030 7.5123 118.5407 54.5177 42.1369 176.5263 685 S 4.5884 7.8351 113.1996 57.4389 63.3098 174.2546 686 S 4.3249 8.4666 118.7575 60.1860 62.9539 174.0535 687 D 4.7138 8.1932 121.4119 53.1565 41.2931 176.5533 688 I 4.0229 8.3842 120.0126 61.8362 37.9952 177.4322 689 T 3.8575 8.7197 118.9370 67.3658 68.3701 175.4996 690 A 3.9836 7.9518 121.4840 55.4990 18.4323 179.6956 691 S 4.0907 7.9724 113.0858 61.5249 62.8103 177.0559 692 V 3.2636 7.8110 121.0028 65.9816 31.1809 177.6635 693 N 4.1294 8.0437 116.2485 56.6538 38.3054 176.5959 694 C 4.2431 8.2784 119.4072 59.4626 43.3262 175.3611 695 A 4.0772 8.1764 122.6758 55.2057 17.7021 179.7887 696 K 3.6475 7.8935 116.2539 59.2589 32.3838 179.2148 697 A 4.1844 7.6401 121.1948 55.1205 18.3914 179.6439 698 I 2.9931 7.5789 118.7423 64.3065 36.9797 179.0148 699 V 3.9802 8.1610 119.3072 64.0620 31.1179 177.6180 700 S 4.5051 7.6974 114.1280 58.8824 63.2289 173.6801 701 D 4.6811 7.4494 121.9907 52.9313 41.9237 177.0852 702 G 3.7286 8.6346 111.6378 48.6903 0.0000 174.8106 703 N 4.4291 9.0934 117.4988 53.9067 39.4870 176.3857 704 G 4.0717 8.1855 108.2763 45.4951 0.0000 174.7295 705 M 4.1351 7.5200 119.5031 56.4769 31.6028 177.6793 706 N 4.8401 7.9022 116.5512 55.0668 38.9679 176.1267 707 A 3.8936 7.4945 121.5943 54.4969 18.7827 178.2314 708 W 4.4934 8.0453 117.2247 55.5990 29.6046 177.3119 709 V 3.6905 8.5940 124.5050 66.1618 31.0650 177.5803 710 A 4.0180 7.8741 120.1177 54.7289 18.0642 179.4869 711 W 3.8956 8.2618 126.4086 60.7005 30.7371 178.1104 712 R 3.4242 7.8681 116.1038 59.3921 29.6233 178.5838 713 N 4.3924 7.9836 114.7104 55.4771 38.6975 176.7925 714 R 4.2309 7.4869 115.0927 55.6736 31.1235 175.3299 715 C 4.4811 7.0840 114.8296 57.9396 42.6393 172.8608 716 K 2.8182 6.5567 122.3767 57.0961 31.2843 176.1414 717 G 4.1776 7.6059 110.5463 45.2016 0.0000 171.1926 718 T 4.5706 7.9990 113.7846 59.9889 72.1256 176.7495 719 D 4.7052 8.1810 121.5309 53.5723 38.0637 176.7934 720 V 4.1025 7.8488 116.4239 63.6296 32.1148 177.3610 721 Q 4.1420 8.2927 119.0169 58.8272 28.6728 177.6224 722 A 4.0188 7.9409 121.1599 54.6472 18.3578 179.1022 723 W 4.2790 8.1708 116.4551 58.7314 29.6184 177.6996 724 I 4.3603 7.8621 119.2514 61.3945 38.1815 176.1364 725 R 4.1632 7.3767 118.3540 57.4213 30.5545 174.9628 726 G 4.0796 8.9218 110.3972 45.9526 0.0000 174.7939 727 C 4.6237 7.5414 115.6438 56.5108 41.0875 174.5972 728 R 4.1394 8.1543 123.4902 55.3707 28.3282 177.6390 *729 L 4.1559 7.9511 120.8452 54.2244 41.6126 176.8644 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 601 K 8.17 4.22 0.00 1.80 1.76 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.21 7.81 602 V 8.28 4.69 2.12 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 0.96 0.00 0.00 0.98 0.00 0.00 603 F 9.67 4.41 0.00 2.88 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 0.00 604 G 9.21 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 0.00 0.00 0.00 605 R 8.62 3.13 0.00 1.80 1.90 0.00 3.71 0.00 0.00 3.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 606 C 8.04 4.29 0.00 3.00 3.12 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 0.00 607 E 8.10 3.90 0.00 2.05 2.26 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 2.70 2.43 0.00 608 L 8.19 3.70 0.00 1.62 1.49 0.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 609 A 8.10 3.94 1.38 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 0.00 610 A 8.19 3.92 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 0.00 611 A 7.97 3.95 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 0.00 612 M 8.49 3.84 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.29 0.00 613 K 8.14 3.94 0.00 1.94 1.96 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.49 7.81 614 R 8.03 3.99 0.00 2.07 1.95 0.00 3.21 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 615 H 8.07 4.54 0.00 3.00 3.17 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 G 7.69 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 0.00 617 L 7.54 3.78 0.00 1.42 0.61 0.16 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 618 D 7.86 4.47 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 619 N 9.29 4.46 0.00 2.95 3.01 0.00 0.00 7.20 8.12 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 0.00 620 Y 8.30 4.16 0.00 3.26 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 0.00 621 R 9.25 3.54 0.00 2.09 1.97 0.00 3.19 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 622 G 8.51 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 Y 7.87 4.56 0.00 3.60 2.84 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 0.00 624 S 8.55 4.79 0.00 4.12 4.10 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 0.00 625 L 9.11 4.34 0.00 2.07 1.85 1.01 1.01 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 0.00 626 G 8.39 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 0.00 0.00 0.00 627 N 8.14 4.47 0.00 2.62 2.49 0.00 0.00 7.08 7.33 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 0.00 628 W 7.85 3.92 0.00 3.41 3.04 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 0.00 629 V 7.87 3.59 2.17 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 1.11 0.00 0.00 1.04 0.00 0.00 630 C 7.92 2.54 0.00 2.39 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 0.00 631 A 7.94 3.93 1.05 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 0.00 0.00 632 A 7.89 3.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 2.48 0.00 1.12 0.99 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.69 1.53 7.81 634 F 7.49 4.08 0.00 3.01 3.04 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 0.00 635 E 8.14 4.29 0.00 1.93 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 2.53 2.42 0.00 636 S 7.72 4.52 0.00 4.05 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 0.00 637 N 8.42 3.95 0.00 2.81 2.84 0.00 0.00 6.94 7.07 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 0.00 638 F 7.59 3.94 0.00 3.40 3.16 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 0.00 639 N 7.77 5.37 0.00 2.88 2.91 0.00 0.00 6.99 6.57 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 0.00 640 T 9.11 3.99 4.53 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 1.51 0.00 0.00 641 Q 8.22 4.39 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 642 A 7.89 4.32 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 0.00 643 T 8.30 4.95 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 1.22 0.00 0.00 644 N 8.68 4.89 0.00 2.88 2.66 0.00 0.00 6.71 7.77 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 0.00 645 R 8.66 4.55 0.00 1.81 1.78 0.00 3.26 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 646 N 9.19 5.02 0.00 2.86 2.70 0.00 0.00 6.44 6.92 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 0.00 647 T 8.51 3.88 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 0.00 648 D 8.03 4.54 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 0.00 649 G 7.91 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 0.00 0.00 0.00 650 S 8.28 4.84 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 0.00 651 T 9.13 5.06 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 0.70 0.00 0.00 652 D 9.12 5.47 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 Y 9.11 5.05 0.00 2.92 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 0.00 654 G 8.79 4.65 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 0.00 655 I 8.26 3.97 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 1.43 2.00 0.82 0.00 0.00 656 L 7.85 4.53 0.00 1.72 1.72 0.76 0.56 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 0.00 657 Q 7.96 3.43 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 658 I 8.31 4.31 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 1.11 0.70 1.00 0.00 0.00 659 N 9.15 5.26 0.00 3.01 3.11 0.00 0.00 6.98 7.76 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 0.00 660 S 8.96 4.76 0.00 4.06 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 0.00 661 R 10.46 4.04 0.00 1.83 2.13 0.00 2.63 0.00 0.00 2.72 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.34 0.00 662 W 8.50 4.50 0.00 3.02 1.74 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 0.00 663 W 8.28 4.85 0.00 3.55 3.27 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 0.00 664 C 8.22 5.69 0.00 3.13 3.20 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 0.00 665 N 8.82 5.17 0.00 2.79 2.68 0.00 0.00 7.14 7.83 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 0.00 666 D 8.72 4.85 0.00 2.78 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 0.00 667 G 9.45 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 0.00 668 R 8.57 4.69 0.00 1.88 1.96 0.00 3.05 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 669 T 7.94 4.55 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 1.21 0.00 0.00 670 P 0.00 4.23 0.00 2.13 2.03 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 671 G 8.77 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 0.00 672 S 8.05 4.36 0.00 4.01 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 0.00 673 R 8.64 4.29 0.00 2.04 1.95 0.00 4.05 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 674 N 8.16 4.23 0.00 2.93 2.79 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 675 L 8.13 3.95 0.00 1.67 1.79 -0.28 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 676 C 8.73 4.57 0.00 3.30 3.20 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 0.00 677 N 8.14 4.15 0.00 2.80 2.82 0.00 0.00 6.64 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 0.00 678 I 8.30 4.52 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 1.30 1.19 0.94 0.00 0.00 679 P 0.00 4.86 0.00 2.18 1.92 0.00 3.65 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 2.09 2.08 0.00 680 C 8.80 3.96 0.00 2.19 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 0.00 0.00 0.00 681 S 7.96 3.95 0.00 4.03 4.10 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 0.00 682 A 7.98 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 0.00 683 L 8.12 4.42 0.00 1.98 1.79 0.92 0.42 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 0.00 684 L 7.51 4.90 0.00 1.83 1.90 1.17 1.10 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 0.00 685 S 7.84 4.59 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 0.00 686 S 8.47 4.32 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 0.00 687 D 8.19 4.71 0.00 2.65 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 0.00 688 I 8.38 4.02 1.65 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 1.64 0.54 0.68 0.00 0.00 689 T 8.72 3.86 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 1.21 0.00 0.00 690 A 7.95 3.98 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 0.00 691 S 7.97 4.09 0.00 3.95 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 0.00 692 V 7.81 3.26 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 0.81 0.00 0.00 0.71 0.00 0.00 693 N 8.04 4.13 0.00 2.91 2.82 0.00 0.00 6.74 7.27 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 0.00 694 C 8.28 4.24 0.00 3.09 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 0.00 695 A 8.18 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 0.00 696 K 7.89 3.65 0.00 1.60 1.47 0.00 1.27 0.00 0.00 0.95 0.00 0.00 2.26 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 0.86 7.81 697 A 7.64 4.18 1.38 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 0.00 698 I 7.58 2.99 1.44 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 1.58 0.93 -0.22 0.00 0.00 699 V 8.16 3.98 2.59 0.00 0.00 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 0.00 0.00 0.80 0.00 0.00 700 S 7.70 4.51 0.00 4.18 4.02 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 0.00 701 D 7.45 4.68 0.00 2.80 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 0.00 702 G 8.63 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 0.00 0.00 0.00 703 N 9.09 4.43 0.00 2.81 2.87 0.00 0.00 6.81 7.33 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 0.00 704 G 8.19 4.07 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 0.00 0.00 0.00 705 M 7.52 4.14 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.08 0.00 706 N 7.90 4.84 0.00 3.05 3.00 0.00 0.00 6.88 7.46 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 0.00 707 A 7.49 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 708 W 8.05 4.49 0.00 3.51 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 0.00 709 V 8.59 3.69 2.17 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 1.13 0.00 0.00 1.00 0.00 0.00 710 A 7.87 4.02 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 0.00 711 W 8.26 3.90 0.00 3.33 3.52 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 0.00 0.00 0.00 0.00 712 R 7.87 3.42 0.00 2.00 1.97 0.00 3.54 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 713 N 7.98 4.39 0.00 2.58 2.75 0.00 0.00 6.91 7.01 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 0.00 714 R 7.49 4.23 0.00 0.74 0.66 0.00 2.93 0.00 0.00 2.91 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.27 0.00 715 C 7.08 4.48 0.00 2.16 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 0.00 716 K 6.56 2.82 0.00 0.79 1.35 0.00 1.95 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.20 1.03 7.81 717 G 7.61 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 0.00 718 T 8.00 4.57 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 1.14 0.00 0.00 719 D 8.18 4.71 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 720 V 7.85 4.10 2.38 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 0.88 0.00 0.00 1.09 0.00 0.00 721 Q 8.29 4.14 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 722 A 7.94 4.02 1.28 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 0.00 723 W 8.17 4.28 0.00 3.55 3.39 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 0.00 724 I 7.86 4.36 1.99 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 1.41 1.26 0.97 0.00 0.00 725 R 7.38 4.16 0.00 1.93 1.84 0.00 3.37 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 726 G 8.92 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 0.00 0.00 0.00 727 C 7.54 4.62 0.00 3.13 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 0.00 728 R 8.15 4.14 0.00 1.80 1.89 0.00 3.24 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 *729 L 7.95 4.16 0.00 1.43 1.50 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.