NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 696 M 4.3884 8.2931 120.3486 56.5415 32.3303 174.8279 697 G 3.6942 7.1468 112.7995 44.5154 0.0000 167.2967 698 G 4.0934 9.0147 109.1054 43.6858 0.0000 170.7351 699 S 4.7531 8.6168 120.6865 56.6120 65.6087 173.7537 700 G 4.1629 8.2352 112.2262 44.2069 0.0000 172.7001 701 V 3.9088 8.2885 122.3064 60.4749 32.1735 175.3303 702 E 4.4367 8.6463 123.4824 54.7572 30.9434 176.1607 703 G 3.9536 8.3412 110.8387 44.8184 0.0000 172.0735 704 L 4.5079 8.4429 126.1917 53.1541 43.1516 176.7522 705 S 4.6506 8.2079 117.6452 57.2908 64.9424 173.2275 706 G 4.0769 7.7247 104.3991 45.2056 0.0000 173.6249 707 K 4.2839 8.3585 122.1879 56.2912 33.2880 175.8754 708 R 5.0953 8.6599 124.0504 55.0315 32.5644 174.8583 709 C 4.8798 8.8174 121.4709 58.0050 32.9907 172.8918 710 W 5.2983 8.8708 122.8684 54.7657 31.7728 174.8970 711 L 5.1748 9.0562 123.1267 53.2624 43.0696 176.5269 712 A 5.0819 8.8059 124.9216 50.8400 18.3308 176.2055 713 V 4.2191 7.5093 120.5431 61.3698 33.0171 175.7523 714 R 4.1588 9.2408 126.6021 57.5741 30.6335 177.3088 715 N 4.5971 8.0820 115.7894 52.1100 38.3322 175.2628 716 A 3.9736 8.3389 128.2099 55.2207 18.7998 179.2126 717 S 4.0908 7.9734 113.2188 61.4874 63.0017 176.5341 718 L 3.9662 7.8414 122.7713 58.3470 41.9417 178.6269 719 C 4.1647 8.7097 114.7852 61.5127 29.5086 175.8703 720 Q 3.9673 8.2349 120.5606 58.4251 28.2434 178.4902 721 F 4.1470 8.0432 121.5479 61.2396 39.5370 177.2660 722 L 3.7694 8.0773 119.7826 58.6815 40.1894 178.9712 723 E 3.8820 8.3251 118.7719 59.4183 29.3620 179.3596 724 T 3.8056 7.6789 116.2190 66.3843 68.2849 177.0356 725 S 3.9299 7.4799 116.2074 61.2400 63.0179 176.0844 726 L 4.0906 7.7845 123.0229 57.8277 41.8520 178.7646 727 Q 4.4058 8.1832 119.1491 57.8389 28.3757 178.4121 728 R 3.9403 7.5026 118.4241 58.1340 30.1143 177.6981 729 S 4.4656 7.8922 111.7127 58.2911 62.7632 174.4692 730 G 3.9713 8.0950 109.4618 45.3258 0.0000 173.5646 731 I 4.2693 7.5002 121.1604 60.8864 38.7981 175.0289 732 V 4.2823 8.7151 126.4959 60.2587 33.0912 175.3492 733 V 5.1601 8.1008 118.3412 59.6705 33.8518 175.5401 734 T 4.5887 7.6983 118.0937 62.0740 73.0887 173.3722 735 T 4.4296 8.6244 122.6703 64.2095 69.2110 173.2219 736 Y 5.0067 8.9437 128.9188 56.2834 39.2636 174.9394 737 E 4.3197 9.3497 127.1867 56.6798 30.2271 179.6511 738 G 3.7985 8.8237 115.5799 45.7704 0.0000 171.6280 739 Q 4.6572 7.0448 116.4232 53.7248 32.8299 175.1693 740 E 4.2235 8.3714 120.2935 54.0979 30.3541 174.0874 741 P 2.9700 0.0000 0.0000 62.0310 31.9886 175.4902 742 T 4.3542 6.8097 111.8858 59.1010 70.4683 173.9799 743 P 4.1533 0.0000 0.0000 65.0081 31.5263 176.9085 744 E 4.6798 8.2464 115.1366 55.9955 29.9878 174.7117 745 D 5.5076 8.4212 119.2717 52.7369 45.0096 175.2821 746 V 4.5719 8.2792 112.4608 59.4312 35.3969 174.7341 747 L 3.9183 7.5118 125.8948 53.1730 43.7153 175.5908 748 I 4.6569 8.4824 129.9843 60.6493 37.9649 175.2405 749 T 5.1156 8.8609 118.2956 59.7623 71.7911 172.6945 750 D 5.3149 8.2297 122.6193 52.4837 43.7748 175.7626 751 E 3.4333 9.2053 126.0008 57.6415 29.8506 176.9993 752 V 4.2913 8.5560 119.1416 60.7757 32.5030 174.2318 753 V 4.4883 8.1567 126.8663 60.9656 33.5824 175.8311 754 S 4.3235 8.7641 123.1864 60.9051 63.1301 174.9880 755 K 4.3112 7.8831 118.5470 56.1032 33.5156 176.1068 756 K 4.9271 8.3553 122.3099 54.6323 34.8681 174.3613 757 W 4.9489 8.4890 126.3918 55.9321 33.4630 174.8318 758 Q 4.4291 7.3776 126.0034 54.6153 29.9454 174.6501 759 G 3.8646 7.6715 121.1506 45.2354 0.0000 172.9412 760 R 4.2734 9.7056 123.4968 58.2555 30.0479 176.0654 761 A 4.8434 7.6983 117.6831 51.3268 22.9540 174.4155 762 V 4.6145 8.6158 112.2943 59.5713 35.2969 175.5195 763 V 4.8351 8.8886 125.0983 61.5314 33.4948 173.3431 764 T 5.1286 9.0561 124.7200 61.8021 70.9201 173.7220 765 F 5.2807 9.4122 126.4488 55.7062 40.2886 174.7415 766 C 5.0666 8.2843 121.0296 57.5889 31.2153 175.4538 767 R 3.9652 9.2076 121.0594 59.2195 29.7658 177.3991 768 R 4.5084 7.5703 112.8069 54.8017 33.4287 171.5191 769 H 4.5172 8.4674 118.2154 55.1786 30.2538 171.7854 770 I 4.1799 8.4973 119.6551 61.7588 38.6498 176.2131 771 G 4.0157 9.0280 110.6046 46.2513 0.0000 173.3074 772 I 4.3432 7.1700 120.5773 58.1249 38.7288 173.4567 773 P 4.1256 0.0000 0.0000 63.0951 31.5836 177.1013 774 L 4.2008 8.2157 128.6917 55.1072 41.0551 177.3080 775 E 3.6816 7.5549 126.0045 55.8751 29.9316 174.8657 776 K 3.6951 8.8146 108.9977 56.3231 29.6375 174.1399 777 A 4.2727 6.9701 115.6045 51.1920 22.2765 175.9738 778 P 4.8839 0.0000 0.0000 60.3094 29.4581 175.7429 779 G 4.5652 7.3140 117.8629 45.5388 0.0000 170.6583 780 E 5.0829 7.5084 120.2422 54.4010 31.9922 175.4875 781 W 4.8185 9.2928 124.2568 54.9525 31.8550 174.6882 782 V 4.6664 7.6618 124.2667 60.7551 32.7306 175.0501 783 H 4.5177 8.3729 121.2365 55.1078 33.5404 172.4475 784 S 5.5304 8.0744 119.4774 56.6523 63.8597 175.5871 785 V 4.3556 8.0339 117.3691 61.3420 28.0840 176.2263 786 A 4.1273 8.0983 125.5400 54.8001 19.3711 178.3789 787 A 4.6109 7.7604 117.0352 48.9013 22.2622 174.9718 788 P 4.1935 0.0000 0.0000 66.5280 31.0957 178.1757 789 H 4.5671 8.0327 112.9132 57.4877 28.6648 177.0769 790 E 4.2475 8.4483 122.6984 59.1680 29.1971 178.7908 791 L 3.4444 7.4899 120.5406 57.6652 42.2105 177.3271 792 P 4.0900 0.0000 0.0000 65.2162 31.2178 178.6090 793 A 3.9580 7.6117 118.8140 54.9897 18.2956 179.4323 794 L 3.7853 7.7843 118.4649 57.9894 42.0777 178.8221 795 L 3.6285 8.0260 120.3092 58.1258 42.0093 178.8716 796 A 3.9561 7.8890 120.6185 55.1048 17.8034 179.6203 797 R 3.8284 7.8718 117.2236 59.5958 29.9378 178.9178 798 I 3.6319 7.3919 118.6539 64.2137 37.1492 177.1355 799 Y 4.7643 7.9349 114.5302 56.9098 38.8019 175.3593 800 L 3.6189 7.2818 118.2394 55.8288 39.5372 174.3295 801 I 4.2799 8.1174 118.3415 59.8627 38.9843 176.5543 802 E 4.0444 8.7542 123.1534 59.5220 29.7555 177.5061 803 M 4.5213 7.6274 117.8863 55.0532 32.3148 177.1429 804 E 3.9428 8.2219 118.6236 58.3771 30.5883 178.4980 805 S 3.8225 8.0685 114.2402 57.8198 61.6654 169.7232 806 D 4.7398 8.1253 117.4871 53.4577 44.0133 174.5335 807 D 4.7027 8.5064 123.1814 52.7777 41.9223 174.8992 808 P 4.2171 0.0000 0.0000 63.5489 32.3211 175.7717 809 A 3.5702 8.2726 121.6462 53.1241 15.8124 177.2968 810 N 4.5314 7.8469 117.5725 52.2828 38.9873 173.7431 811 A 4.7212 8.1413 127.1956 50.2485 22.4914 174.6795 812 L 4.5610 8.2141 120.9413 52.1799 44.2075 174.6259 813 P 4.3366 0.0000 0.0000 63.4336 30.5951 176.9562 814 S 4.5727 8.1769 124.7250 57.7640 61.3279 175.3657 815 T 4.1228 7.5954 115.1918 64.4076 69.2970 174.8467 816 D 4.2319 7.5567 126.4626 54.5279 41.4985 174.4472 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 696 M 8.29 4.39 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 697 G 7.15 3.69 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 0.00 0.00 0.00 698 G 9.01 4.09 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 0.00 0.00 0.00 699 S 8.62 4.75 0.00 3.82 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 0.00 700 G 8.24 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 0.00 701 V 8.29 3.91 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 0.87 0.00 0.00 0.93 0.00 0.00 702 E 8.65 4.44 0.00 2.09 1.98 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 2.22 2.29 0.00 703 G 8.34 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 0.00 0.00 0.00 704 L 8.44 4.51 0.00 1.61 1.59 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 705 S 8.21 4.65 0.00 3.95 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 0.00 706 G 7.72 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 0.00 707 K 8.36 4.28 0.00 1.73 1.85 0.00 1.54 0.00 0.00 1.08 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.15 1.28 7.81 708 R 8.66 5.10 0.00 1.87 2.24 0.00 3.12 0.00 0.00 2.64 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 709 C 8.82 4.88 0.00 2.74 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 0.00 710 W 8.87 5.30 0.00 2.72 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 0.00 711 L 9.06 5.17 0.00 1.63 1.67 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 712 A 8.81 5.08 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 0.00 713 V 7.51 4.22 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 0.94 0.00 0.00 0.95 0.00 0.00 714 R 9.24 4.16 0.00 1.87 1.98 0.00 3.40 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 715 N 8.08 4.60 0.00 2.74 2.79 0.00 0.00 7.41 7.56 0.00 0.00 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 A 8.34 3.97 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 0.00 717 S 7.97 4.09 0.00 3.86 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 0.00 718 L 7.84 3.97 0.00 1.70 1.65 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 719 C 8.71 4.16 0.00 3.13 3.31 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 0.00 720 Q 8.23 3.97 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 721 F 8.04 4.15 0.00 3.17 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 0.00 722 L 8.08 3.77 0.00 1.83 1.84 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 723 E 8.33 3.88 0.00 2.14 2.27 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 2.40 2.40 0.00 724 T 7.68 3.81 4.11 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 1.15 0.00 0.00 725 S 7.48 3.93 0.00 3.67 3.66 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 0.00 726 L 7.78 4.09 0.00 1.62 1.69 0.84 0.85 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 0.00 727 Q 8.18 4.41 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.54 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 728 R 7.50 3.94 0.00 1.85 1.94 0.00 3.28 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 729 S 7.89 4.47 0.00 3.99 3.85 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 0.00 0.00 0.00 730 G 8.10 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 0.00 731 I 7.50 4.27 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.98 0.00 0.00 732 V 8.72 4.28 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 0.71 0.00 0.00 0.81 0.00 0.00 733 V 8.10 5.16 1.98 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 0.85 0.00 0.00 0.89 0.00 0.00 734 T 7.70 4.59 3.43 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 1.06 0.00 0.00 735 T 8.62 4.43 4.32 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 1.32 0.00 0.00 736 Y 8.94 5.01 0.00 3.23 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 0.00 737 E 9.35 4.32 0.00 2.15 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 2.25 2.37 0.00 738 G 8.82 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 739 Q 7.04 4.66 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 7.53 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 740 E 8.37 4.22 0.00 1.83 1.71 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 2.17 2.20 0.00 741 P 0.00 2.97 0.00 0.90 0.49 0.00 3.55 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 1.52 1.59 0.00 742 T 6.81 4.35 4.40 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 1.27 0.00 0.00 743 P 0.00 4.15 0.00 2.07 2.15 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 744 E 8.25 4.68 0.00 2.04 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 2.28 2.29 0.00 745 D 8.42 5.51 0.00 3.31 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 0.00 746 V 8.28 4.57 1.70 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 0.58 0.00 0.00 0.34 0.00 0.00 747 L 7.51 3.92 0.00 0.27 0.93 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 748 I 8.48 4.66 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.79 0.00 0.00 749 T 8.86 5.12 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 1.34 0.00 0.00 750 D 8.23 5.31 0.00 2.64 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 0.00 751 E 9.21 3.43 0.00 2.11 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 2.26 2.30 0.00 752 V 8.56 4.29 2.11 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 0.85 0.00 0.00 0.96 0.00 0.00 753 V 8.16 4.49 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 1.05 0.00 0.00 1.03 0.00 0.00 754 S 8.76 4.32 0.00 3.92 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 0.00 755 K 7.88 4.31 0.00 1.93 1.82 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.48 7.81 756 K 8.36 4.93 0.00 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