NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 594 M 4.4143 8.3049 120.3222 54.2313 33.5571 175.1508 595 P 4.3017 0.0000 0.0000 62.3456 32.9218 173.6705 596 K 5.1147 9.4807 122.5780 55.1471 35.5351 174.8466 597 M 5.4433 9.3195 122.6861 53.5942 36.2885 173.9600 598 E 5.0032 9.4904 123.1366 54.3218 32.2454 175.1750 599 V 4.2278 8.7688 128.0291 63.3377 31.9949 176.1634 600 F 4.5178 9.5226 126.5558 58.0332 41.0785 176.2521 601 Q 4.6919 7.9348 116.1998 53.4450 32.1929 175.2390 602 E 4.2631 8.8957 121.6175 56.9682 30.6822 175.6550 603 Y 4.6181 8.6330 121.9330 56.2014 41.9767 174.9724 604 Y 4.6468 8.2841 122.4322 57.6911 38.6779 176.3291 605 G 2.8765 5.9583 107.9795 45.5321 0.0000 172.9302 606 I 4.3770 6.8723 119.6886 58.4465 38.7897 173.7881 607 P 4.6750 0.0000 0.0000 61.0608 32.3434 174.0614 608 P 4.8648 0.0000 0.0000 61.0124 32.0765 174.3586 609 P 2.9700 0.0000 0.0000 60.8686 31.9352 175.1220 610 P 4.1843 0.0000 0.0000 62.3058 31.8251 177.6561 611 G 3.4901 8.4670 109.0022 48.6009 0.0000 174.5313 612 A 3.8222 7.3188 120.0823 52.9137 20.0560 177.3772 613 F 3.3053 7.5033 113.7816 56.1104 38.4913 177.8407 614 G 3.9731 8.0264 116.7865 45.4065 0.0000 170.8890 615 P 4.6835 0.0000 0.0000 63.0848 32.0683 176.1838 616 F 5.4163 9.1852 117.3376 57.0316 39.2243 174.0384 617 L 4.5942 9.2703 122.7196 53.1129 43.8399 176.0460 618 R 4.6926 8.6266 127.2166 56.5066 31.1090 175.4178 619 L 4.9368 9.0768 124.9499 53.0411 46.0105 175.1955 620 N 5.2733 8.9940 119.4173 50.3963 42.5005 172.3979 621 P 4.4909 0.0000 0.0000 64.7184 31.8704 175.9239 622 G 4.0018 8.9028 111.1014 45.4098 0.0000 173.9590 623 D 4.4308 7.9778 119.4507 54.5055 42.3627 175.6993 624 I 4.4599 8.1299 122.6869 59.7268 39.4271 174.4803 625 V 4.6314 8.7119 128.3431 61.3475 33.5229 174.2883 626 E 4.7959 8.8720 128.0711 54.7545 30.8156 175.7206 627 L 4.4260 8.5033 126.1677 55.2910 42.0249 177.2618 628 T 4.4264 8.6761 112.6897 62.3608 71.9314 174.2505 629 K 4.2774 7.4406 122.2447 55.2757 35.4480 174.2908 630 A 4.7895 8.3080 128.3596 50.4158 22.3921 174.9912 631 E 4.5370 8.8350 119.7158 54.2007 32.9788 176.5003 632 A 4.1293 9.0906 127.3626 55.4471 18.3811 178.1250 633 E 4.1889 8.1781 111.1617 57.9569 30.1339 176.0632 634 H 5.2300 8.2312 116.7828 54.6224 31.4618 173.6952 635 N 4.6319 8.6971 116.0068 53.0268 40.1166 174.6176 636 W 4.6216 7.8038 118.3983 54.3103 32.1488 174.7519 637 W 5.1624 8.3793 123.0876 54.8126 32.9484 173.7263 638 E 4.3073 8.4380 122.8448 54.5036 31.5786 175.0305 639 G 4.5753 8.8263 111.8727 45.8270 0.0000 171.1559 640 R 5.0648 9.1342 120.9187 54.4150 32.0557 174.5191 641 N 4.8699 9.2287 127.0893 53.1950 39.3992 175.6010 642 T 4.1292 8.6899 117.2644 63.5945 68.7728 175.4554 643 A 4.2512 8.5432 125.1222 53.8530 18.8746 177.9238 644 T 4.4368 7.2297 102.1150 59.8603 70.1849 174.1636 645 N 4.2154 8.6241 119.4705 54.0937 38.4694 173.5258 646 E 4.4123 7.7157 115.9522 56.3731 31.1742 175.7126 647 V 5.3237 7.3694 120.4339 60.2123 34.8973 174.9158 648 G 4.1175 8.0325 111.8449 46.4590 0.0000 171.5290 649 W 5.6213 9.2107 119.9654 55.7038 31.6430 175.8588 650 F 4.9708 8.5067 115.8342 55.1191 41.4820 171.8277 651 P 3.2710 0.0000 0.0000 61.8141 31.5290 177.6901 652 C 3.5047 7.7654 118.6771 60.3100 29.2968 174.8916 653 N 4.3753 7.4028 115.7101 53.7405 37.1954 175.4590 654 R 4.2879 7.6518 117.9102 56.7070 30.7281 175.7790 655 V 5.1007 7.1962 110.2683 60.0490 36.0798 174.2474 656 H 4.9705 8.9222 117.6444 53.1163 33.3472 171.4425 657 P 4.5586 0.0000 0.0000 63.3719 31.8801 175.6061 658 Y 4.4839 8.8655 126.0786 57.7390 39.0988 175.7086 659 V 4.0325 7.9955 121.5427 60.4903 32.3731 175.8361 660 H 4.2845 7.7997 120.9398 56.3136 29.4356 174.2543 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 594 M 8.30 4.41 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 595 P 0.00 4.30 0.00 2.06 1.94 0.00 3.45 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 596 K 9.48 5.11 0.00 1.91 1.78 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 597 M 9.32 5.44 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.72 0.00 598 E 9.49 5.00 0.00 2.28 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 0.00 2.28 2.22 0.00 599 V 8.77 4.23 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 0.96 0.00 0.00 0.82 0.00 0.00 600 F 9.52 4.52 0.00 2.84 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 0.00 601 Q 7.93 4.69 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 602 E 8.90 4.26 0.00 1.59 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 0.00 1.83 1.79 0.00 603 Y 8.63 4.62 0.00 2.98 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 0.00 604 Y 8.28 4.65 0.00 2.81 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 0.00 605 G 5.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 I 6.87 4.38 1.94 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 1.40 1.01 0.96 0.00 0.00 607 P 0.00 4.67 0.00 2.33 2.18 0.00 4.02 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.16 0.00 608 P 0.00 4.86 0.00 2.21 2.11 0.00 3.42 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 609 P 0.00 2.97 0.00 1.99 1.54 0.00 3.78 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 610 P 0.00 4.18 0.00 2.06 1.84 0.00 2.20 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 611 G 8.47 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 0.00 612 A 7.32 3.82 0.49 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 0.00 613 F 7.50 3.31 0.00 2.43 1.45 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 0.00 0.00 0.00 0.00 614 G 8.03 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 0.00 0.00 0.00 615 P 0.00 4.68 0.00 2.21 2.31 0.00 3.96 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 616 F 9.19 5.42 0.00 3.61 3.35 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 0.00 617 L 9.27 4.59 0.00 1.75 2.06 0.96 1.39 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 0.00 618 R 8.63 4.69 0.00 2.22 1.93 0.00 3.48 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.11 0.00 619 L 9.08 4.94 0.00 1.59 1.41 0.66 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 620 N 8.99 5.27 0.00 2.84 2.65 0.00 0.00 6.81 7.87 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 0.00 621 P 0.00 4.49 0.00 1.97 1.92 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 622 G 8.90 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 0.00 623 D 7.98 4.43 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 4.46 1.63 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 0.94 0.56 0.45 0.00 0.00 625 V 8.71 4.63 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 0.75 0.00 0.00 0.64 0.00 0.00 626 E 8.87 4.80 0.00 1.93 1.85 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 2.26 2.24 0.00 627 L 8.50 4.43 0.00 1.51 1.43 0.34 1.17 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 0.00 628 T 8.68 4.43 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 1.22 0.00 0.00 629 K 7.44 4.28 0.00 1.75 1.36 0.00 1.86 0.00 0.00 2.28 0.00 0.00 3.27 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.48 7.81 630 A 8.31 4.79 0.11 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 0.00 0.00 631 E 8.83 4.54 0.00 2.12 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 0.00 2.34 2.40 0.00 632 A 9.09 4.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 633 E 8.18 4.19 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 634 H 8.23 5.23 0.00 3.43 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 N 8.70 4.63 0.00 2.80 2.56 0.00 0.00 6.57 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 0.00 636 W 7.80 4.62 0.00 1.78 2.57 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 0.00 637 W 8.38 5.16 0.00 2.34 2.49 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 0.00 638 E 8.44 4.31 0.00 1.16 1.12 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 1.74 1.47 0.00 639 G 8.83 4.58 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 0.00 0.00 0.00 640 R 9.13 5.06 0.00 1.83 1.77 0.00 3.26 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 641 N 9.23 4.87 0.00 2.73 2.66 0.00 0.00 6.52 7.10 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 0.00 642 T 8.69 4.13 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 1.19 0.00 0.00 643 A 8.54 4.25 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 0.00 644 T 7.23 4.44 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 1.21 0.00 0.00 645 N 8.62 4.22 0.00 2.82 2.95 0.00 0.00 7.19 7.19 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 0.00 646 E 7.72 4.41 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 2.48 2.37 0.00 647 V 7.37 5.32 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 0.62 0.00 0.00 0.92 0.00 0.00 648 G 8.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 W 9.21 5.62 0.00 3.47 3.36 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 0.00 650 F 8.51 4.97 0.00 2.89 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 0.00 651 P 0.00 3.27 0.00 1.68 1.05 0.00 2.69 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 652 C 7.77 3.50 0.00 1.23 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 0.00 653 N 7.40 4.38 0.00 2.63 2.69 0.00 0.00 6.01 7.66 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 0.00 654 R 7.65 4.29 0.00 1.79 2.13 0.00 3.47 0.00 0.00 3.07 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 655 V 7.20 5.10 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 0.50 0.00 0.00 1.18 0.00 0.00 656 H 8.92 4.97 0.00 2.55 2.86 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 P 0.00 4.56 0.00 1.97 2.06 0.00 3.70 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 2.07 2.19 0.00 658 Y 8.87 4.48 0.00 2.85 3.09 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 0.00 659 V 8.00 4.03 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 0.77 0.00 0.00 0.91 0.00 0.00 660 H 7.80 4.28 0.00 2.06 2.94 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00