NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 703 M 4.4374 8.3049 120.3276 55.1644 33.4053 174.4686 704 I 4.0835 8.1376 123.1719 57.3412 38.2095 173.6327 705 P 4.4931 0.0000 0.0000 62.7692 32.8487 176.0013 706 S 5.0397 8.4782 116.6933 58.5069 64.1716 173.2117 707 I 4.7576 8.6305 114.0180 59.5262 41.3559 174.4973 708 T 4.5162 8.4084 120.1045 62.9341 68.3059 174.6633 709 A 3.9637 8.5238 129.8023 54.1266 19.6164 176.8646 710 Y 4.5980 7.5877 114.6942 56.8567 42.5151 174.1456 711 S 4.8582 7.8107 121.3371 58.0419 64.3236 172.8740 712 K 4.2389 9.2501 126.9006 56.5366 35.2231 175.2395 713 N 4.0848 9.7957 121.0724 54.3537 36.0077 175.5245 714 G 3.9250 8.3686 106.1640 45.0217 0.0000 172.8159 715 L 4.9337 7.9334 123.0306 53.3463 43.9359 174.9294 716 K 5.1562 8.9996 127.5924 54.6521 35.4137 174.5238 717 I 5.0239 9.2552 130.0097 60.2261 40.3016 174.8398 718 E 5.0096 9.1408 125.2064 54.7505 32.9719 171.3427 719 F 5.4670 9.1014 122.1807 55.4843 41.7971 174.8399 720 T 4.8583 8.6381 113.5817 59.8649 71.8122 173.1214 721 F 5.5535 8.6647 120.1379 56.0916 42.9592 174.0821 722 E 4.8703 9.2706 120.3367 54.7528 34.1094 174.5895 723 R 4.6737 8.5382 122.5657 55.3776 31.4745 175.9221 724 S 4.4737 8.7035 120.9265 58.4071 62.7629 173.7807 725 N 4.7025 8.8657 122.4877 53.7367 38.1541 176.0980 726 T 4.0889 7.8543 115.6653 65.5132 69.2883 174.3958 727 N 4.7964 8.4516 121.0817 51.1453 40.6482 172.9536 728 P 4.3787 0.0000 0.0000 64.8603 31.6812 177.5797 729 S 4.4217 8.6685 114.0403 58.9790 63.4952 173.3117 730 V 4.7936 8.0096 122.5329 61.5452 33.4085 174.3961 731 T 5.0250 8.7881 124.4330 61.8704 71.1700 173.3010 732 V 4.4008 8.9571 127.4102 61.6842 33.4047 174.3863 733 I 4.7211 8.8575 129.4662 59.8501 39.6472 174.5777 734 T 4.8828 8.7647 124.6312 61.7593 70.6334 173.6075 735 I 4.8771 8.7303 120.5159 59.3552 40.5028 174.7865 736 Q 4.8354 9.0619 123.0316 54.2855 32.1436 173.9181 737 A 5.1199 8.9360 127.4450 50.1664 21.2406 175.7044 738 S 4.8742 9.1798 116.7122 56.4065 67.4859 172.8301 739 N 5.3016 8.3963 118.3538 52.1694 41.4054 174.1547 740 S 4.8904 9.3320 121.1355 58.1377 64.2137 174.3827 741 T 4.5382 8.4644 112.9509 61.1254 70.9482 174.9814 742 E 4.4788 8.9567 119.0418 57.2283 30.0169 176.5446 743 L 4.9240 7.6376 118.2849 52.4531 45.1162 176.4636 744 D 4.6900 8.8883 122.0555 55.0253 42.0909 175.7106 745 M 4.9667 8.9789 121.8294 54.2820 33.9041 175.6620 746 T 4.8766 8.9263 114.2614 59.2864 72.4932 173.6448 747 D 4.5718 8.6212 118.2635 55.1918 38.5373 174.2022 748 F 4.6324 8.6009 121.0304 58.1292 40.4744 174.8480 749 V 4.3661 8.3267 126.0711 61.0078 34.3615 173.6230 750 F 5.0461 8.9064 130.1580 56.9345 40.9436 174.7470 751 Q 4.5007 8.3302 123.8389 54.0236 32.6627 174.1491 752 A 5.1037 9.0956 124.7599 50.2298 22.3696 175.5231 753 A 4.6768 8.5902 119.7784 50.6047 22.7926 176.0139 754 V 4.6251 8.1969 113.9300 58.4076 35.6842 173.8369 755 P 4.4867 0.0000 0.0000 62.1819 31.8979 177.7347 756 K 3.8864 8.7840 119.5672 60.0129 31.9071 178.1918 757 T 4.2295 8.0240 105.5620 61.9827 69.2185 174.0555 758 F 5.0498 8.2885 121.0346 56.3718 41.3346 175.1208 759 Q 4.8633 8.9769 119.3436 54.1051 32.4647 174.3737 760 L 5.2788 8.5014 122.8104 53.3678 45.5626 175.2640 761 Q 4.5463 9.2784 126.5226 54.4418 32.0926 173.4147 762 E 4.8515 8.8971 126.2156 54.9733 30.9504 176.1134 763 L 4.5468 8.4020 125.1463 53.2636 43.6653 176.8395 764 S 4.2799 8.4384 116.7273 57.8228 63.2833 173.0831 765 P 4.7093 0.0000 0.0000 62.4192 31.9835 176.3904 766 S 4.4664 8.5178 114.0080 60.9632 63.6993 173.7111 767 S 4.5240 7.5136 112.6949 58.0358 65.3782 175.5819 768 S 4.9182 8.4371 112.4711 58.1229 64.3814 173.6853 769 V 4.8106 7.7662 119.8205 61.0947 33.9524 175.0504 770 V 4.0259 8.7413 128.8023 60.7766 32.3177 173.3795 771 P 4.9333 0.0000 0.0000 61.9452 31.8506 176.4505 772 A 4.1723 9.1587 124.6397 52.3643 19.7464 177.6105 773 F 3.8415 9.7891 115.3427 58.1330 37.2225 175.5895 774 N 4.2250 8.0353 115.7808 54.7852 36.0540 175.7819 775 T 4.3581 7.6244 105.8732 62.0709 69.8171 174.5198 776 G 4.0037 7.1164 108.8280 45.9594 0.0000 172.1309 777 T 4.8186 8.1523 108.2192 60.0389 72.4637 173.3259 778 I 4.1685 8.1143 123.2805 60.9108 38.9364 175.0640 779 T 5.0561 8.7724 123.4546 61.7904 71.3712 173.1238 780 Q 4.7322 8.7257 126.7552 54.4479 33.1097 173.4356 781 V 4.6850 8.3897 126.0885 61.5905 33.6850 174.3442 782 I 5.1141 8.9176 120.7843 59.0825 40.8941 174.1899 783 K 5.0836 9.3776 124.5893 54.7096 35.0193 175.2319 784 V 4.8457 8.7430 123.7829 61.0517 34.5495 173.7246 785 L 4.8999 9.2124 130.5409 53.6922 43.7206 174.9196 786 N 5.0578 9.0038 125.1543 51.2367 38.4745 172.7766 787 P 4.2071 0.0000 0.0000 65.1364 30.6591 177.7071 788 Q 4.1612 7.8704 114.4925 55.4422 28.8482 175.9309 789 K 4.0625 7.5763 116.5148 57.3306 30.3451 175.6433 790 Q 4.1402 7.2187 114.5943 55.1267 29.4081 176.3756 791 Q 2.0000 7.8642 121.3747 55.2683 29.3333 175.9882 792 L 3.8035 6.9698 127.5116 54.8293 42.8217 175.6530 793 R 4.9764 7.1659 119.9881 55.8597 32.4446 173.5177 794 M 4.8397 8.8600 117.7795 54.7294 36.6009 172.9724 795 R 5.1628 8.8712 125.2627 54.5634 32.5514 174.7417 796 I 4.7500 8.9544 120.0467 58.9646 40.9534 174.3156 797 K 4.8701 8.6794 124.7503 54.6201 35.4678 174.6284 798 L 4.9600 8.9598 127.2669 53.1906 44.8408 175.6408 799 T 5.0720 8.2374 119.8580 62.0762 72.7010 172.6319 800 Y 5.2468 8.2500 122.3506 56.7786 42.1484 172.3852 801 N 5.4982 9.1624 117.7459 52.0523 41.5192 173.7873 802 H 5.1263 9.3156 121.8053 55.5734 34.0736 173.4457 803 K 3.8920 9.9184 123.5722 57.3521 29.5990 176.2893 804 G 4.0321 8.6875 108.0366 45.1589 0.0000 174.4749 805 S 4.6770 7.7904 115.2800 56.3956 64.8930 173.0494 806 A 4.3568 8.3891 125.2450 52.2801 18.7707 176.7988 807 M 4.5815 8.9123 122.7958 53.7553 35.2527 175.0295 808 Q 5.0229 8.1223 121.5276 55.1015 32.5111 172.9650 809 D 4.8695 9.1574 124.5991 52.7305 45.2572 173.6131 810 L 5.3262 8.5360 123.7235 53.2163 44.4640 175.4681 811 A 4.7718 8.9029 122.7899 51.0412 23.1266 174.8711 812 E 4.9679 8.7525 118.5469 54.8237 32.3933 176.3184 813 V 4.2049 9.2071 122.7094 61.2395 33.7101 175.0000 814 N 5.2634 8.8008 124.1600 52.8997 39.5003 174.7213 815 N 5.0726 7.8672 114.2845 52.3943 37.8211 174.6331 816 F 4.3390 8.3865 117.4121 57.5354 39.7961 173.6216 817 P 4.5579 0.0000 0.0000 61.8441 32.2034 175.3329 818 P 3.1978 0.0000 0.0000 66.0014 30.9170 178.9055 819 Q 3.7563 7.7161 115.0396 58.2852 28.6951 178.0805 820 S 4.2665 7.6760 114.1228 59.4053 63.3551 174.5972 821 W 5.1834 6.9543 115.8044 56.0363 29.9321 174.9357 822 Q 4.0015 7.4985 123.0107 56.0753 28.0234 175.5973 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 703 M 8.30 4.44 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 704 I 8.14 4.08 2.02 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 0.66 0.69 0.00 0.00 705 P 0.00 4.49 0.00 2.24 2.09 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 706 S 8.48 5.04 0.00 3.84 3.98 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 0.00 707 I 8.63 4.76 1.84 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 1.54 1.05 1.10 0.00 0.00 708 T 8.41 4.52 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 1.15 0.00 0.00 709 A 8.52 3.96 0.26 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 0.00 0.00 710 Y 7.59 4.60 0.00 3.01 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 0.00 711 S 7.81 4.86 0.00 3.79 3.59 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 0.00 0.00 0.00 0.00 712 K 9.25 4.24 0.00 1.23 1.19 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.32 7.81 713 N 9.80 4.08 0.00 3.11 3.05 0.00 0.00 7.13 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 0.00 714 G 8.37 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 0.00 715 L 7.93 4.93 0.00 1.76 1.94 0.76 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 716 K 9.00 5.16 0.00 1.82 1.58 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.49 7.81 717 I 9.26 5.02 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.04 1.00 0.00 0.00 718 E 9.14 5.01 0.00 1.62 1.79 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 2.15 2.13 0.00 719 F 9.10 5.47 0.00 2.50 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 0.00 0.00 0.00 720 T 8.64 4.86 4.22 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 1.17 0.00 0.00 721 F 8.66 5.55 0.00 2.90 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 0.00 722 E 9.27 4.87 0.00 1.87 1.81 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 2.26 2.41 0.00 723 R 8.54 4.67 0.00 1.82 1.83 0.00 3.51 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 724 S 8.70 4.47 0.00 3.95 4.05 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 0.00 725 N 8.87 4.70 0.00 2.87 2.92 0.00 0.00 6.12 7.71 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 0.00 726 T 7.85 4.09 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 0.00 727 N 8.45 4.80 0.00 2.65 2.63 0.00 0.00 7.25 8.18 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 0.00 728 P 0.00 4.38 0.00 2.08 2.10 0.00 3.72 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 2.03 2.11 0.00 729 S 8.67 4.42 0.00 4.05 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 0.00 730 V 8.01 4.79 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 0.99 0.00 0.00 0.95 0.00 0.00 731 T 8.79 5.02 4.36 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 1.45 0.00 0.00 732 V 8.96 4.40 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 1.03 0.00 0.00 0.96 0.00 0.00 733 I 8.86 4.72 1.72 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.15 0.00 0.00 734 T 8.76 4.88 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 1.18 0.00 0.00 735 I 8.73 4.88 1.74 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.26 0.00 0.00 736 Q 9.06 4.84 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 737 A 8.94 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 738 S 9.18 4.87 0.00 3.76 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 0.00 739 N 8.40 5.30 0.00 2.69 2.83 0.00 0.00 6.60 7.67 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 0.00 740 S 9.33 4.89 0.00 3.88 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 0.00 741 T 8.46 4.54 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 1.34 0.00 0.00 742 E 8.96 4.48 0.00 2.05 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 2.67 2.50 0.00 743 L 7.64 4.92 0.00 1.53 1.53 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 744 D 8.89 4.69 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 745 M 8.98 4.97 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 746 T 8.93 4.88 4.31 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 1.27 0.00 0.00 747 D 8.62 4.57 0.00 2.86 2.79 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 0.00 748 F 8.60 4.63 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 0.00 749 V 8.33 4.37 1.95 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 0.84 0.00 0.00 0.92 0.00 0.00 750 F 8.91 5.05 0.00 3.24 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 0.00 751 Q 8.33 4.50 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 752 A 9.10 5.10 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 0.00 753 A 8.59 4.68 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 0.00 0.00 0.00 0.00 0.00 754 V 8.20 4.63 1.69 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 0.68 0.00 0.00 0.96 0.00 0.00 755 P 0.00 4.49 0.00 2.38 2.01 0.00 2.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 756 K 8.78 3.89 0.00 2.03 1.93 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.03 7.81 757 T 8.02 4.23 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 1.18 0.00 0.00 758 F 8.29 5.05 0.00 2.98 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 0.00 759 Q 8.98 4.86 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 760 L 8.50 5.28 0.00 1.61 1.51 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 761 Q 9.28 4.55 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 762 E 8.90 4.85 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 2.32 2.37 0.00 763 L 8.40 4.55 0.00 1.68 1.61 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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