NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *778 R 4.3520 8.1127 119.0727 56.0044 31.0163 177.9596 779 R 3.5791 9.0826 122.4408 59.5805 30.3199 174.8260 780 I 3.7999 7.9084 119.8704 64.2364 37.3985 177.5766 781 G 3.8200 8.2307 104.8837 48.1406 0.0000 175.0165 782 E 4.1638 7.6947 120.5121 59.1257 29.3966 179.4275 783 I 3.7982 7.6268 111.8066 63.6757 37.9581 178.0627 784 V 3.8666 7.7096 112.8370 62.8087 31.4651 178.1656 785 K 4.3665 8.0388 120.8188 58.8475 31.8424 179.3880 786 V 3.6173 7.7110 118.8947 64.6998 31.3367 178.5178 787 V 3.5635 7.7078 118.4320 65.8586 31.3297 177.8222 788 Q 3.9707 8.5349 118.0271 58.9249 28.5215 178.7641 789 A 3.9925 8.3050 121.7173 55.1499 18.4694 179.5760 790 A 4.0508 8.3052 119.0484 54.7823 18.4583 179.8568 791 A 3.9821 8.3079 119.9121 55.4857 18.4936 179.9171 792 R 4.0492 8.3632 117.0233 59.3248 30.0717 179.3832 793 G 3.7059 8.1097 105.4052 47.7094 0.0000 175.3985 794 W 4.1193 8.3452 131.3717 59.9999 30.7168 178.1193 795 V 3.3618 8.1751 118.1190 66.1243 30.9321 177.9270 796 E 3.9429 8.3120 118.3126 59.4001 29.2517 179.5874 797 R 3.9713 8.1346 118.3607 58.8168 29.8946 178.9789 798 K 3.6292 7.7916 119.6172 59.8236 32.1838 178.6166 799 H 4.2175 8.0995 116.4506 58.8742 28.6147 177.6680 800 F 4.1801 8.6627 122.9592 61.0061 39.1622 177.0694 801 R 3.6733 8.1197 118.5340 59.3713 29.8325 178.1704 802 Q 3.8240 7.6617 118.8698 59.2539 29.1066 178.2298 803 A 3.8903 7.8545 121.6684 55.0565 18.3078 179.6245 804 R 3.5467 7.8842 117.5770 59.3230 30.0626 178.5634 805 E 3.8612 8.0986 118.5228 59.2222 29.4397 179.2568 806 K 3.8876 7.8958 119.5801 59.7121 32.2568 179.1130 807 S 4.0995 8.0496 115.4381 61.4049 62.7056 176.8761 808 V 3.5631 8.1034 121.4663 66.0459 31.3018 178.3621 809 S 4.0840 8.1267 114.7382 61.4477 62.5830 176.4436 810 A 3.9541 8.1050 123.5424 55.1380 18.0483 179.5996 811 R 4.3242 8.0159 118.4997 59.1569 30.1414 178.7036 812 I 3.6851 7.7405 119.5361 64.4723 37.0120 178.5278 813 I 3.6753 7.6966 120.4159 64.4344 37.0562 178.3990 814 Q 3.9728 8.2581 119.0824 59.2283 28.5631 178.8831 815 D 4.3607 8.2861 119.8476 57.4273 40.8626 178.6891 816 N 4.3597 8.1882 117.0188 56.2091 38.4635 177.5833 817 I 3.6355 7.9983 121.5296 64.4335 37.1208 178.4221 818 R 3.7677 8.2664 119.6206 59.2359 29.8359 178.4126 819 A 3.7682 7.8462 120.4646 55.2305 18.5244 178.7771 820 Y 2.3900 7.3970 117.8715 60.4263 38.5491 178.6048 821 L 3.8025 7.6712 118.3433 57.4743 41.6821 178.9669 822 E 4.0682 7.3530 118.1921 57.7889 29.7015 177.9218 823 F 4.9059 6.9478 112.4162 56.2542 38.3372 177.3090 824 K 3.5852 7.5167 119.2562 59.3353 32.3278 177.4416 825 N 5.0054 8.0629 114.3706 52.5345 39.3961 174.4693 826 W 4.7215 8.6714 130.1816 56.9547 32.1695 176.7491 827 A 3.9173 8.7810 128.0850 55.1450 17.7815 179.6905 828 W 3.7246 6.5780 116.8784 59.0763 28.9073 178.3663 829 W 4.3531 7.6793 127.9774 60.5530 30.3717 177.9906 830 K 3.5850 7.9999 118.3439 59.1416 31.4652 179.1532 831 L 3.7739 7.7084 120.5516 58.0890 42.0939 178.7580 832 F 4.1073 8.3383 120.5679 61.2563 39.0644 176.9507 833 A 3.4040 7.5265 119.8599 54.7206 18.0291 179.4891 834 K 3.8979 7.4365 115.9251 59.3761 32.3177 179.1570 835 A 4.0209 7.7748 120.8748 54.3485 18.3061 179.4420 836 R 3.4433 7.3142 117.6737 59.2364 29.8389 176.8929 837 P 4.2950 0.0000 0.0000 64.7567 31.3974 177.5841 838 L 4.2392 7.7127 116.2620 54.4868 42.2466 176.6194 839 L 4.4750 6.9815 119.3240 53.1906 43.0611 176.8796 840 V 3.7679 8.1989 120.0648 63.2899 31.4860 175.8345 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 *778 R 8.11 4.35 0.00 1.75 1.33 0.00 3.22 0.00 0.00 3.33 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 779 R 9.08 3.58 0.00 1.99 1.95 0.00 3.19 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 780 I 7.91 3.80 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 1.57 1.05 0.91 0.00 0.00 781 G 8.23 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 782 E 7.69 4.16 0.00 2.03 2.00 0.00 0.00 0.00 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 2.45 0.00 783 I 7.63 3.80 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 1.71 0.52 1.00 0.00 0.00 784 V 7.71 3.87 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 0.83 0.00 0.00 1.08 0.00 0.00 785 K 8.04 4.37 0.00 1.88 1.87 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.51 7.81 786 V 7.71 3.62 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 0.00 787 V 7.71 3.56 2.19 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 1.12 0.00 0.00 0.91 0.00 0.00 788 Q 8.53 3.97 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 789 A 8.31 3.99 1.37 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 0.00 0.00 0.00 790 A 8.31 4.05 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 0.00 791 A 8.31 3.98 1.40 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 0.00 0.00 0.00 792 R 8.36 4.05 0.00 2.04 2.03 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 793 G 8.11 3.71 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 0.00 0.00 0.00 794 W 8.35 4.12 0.00 3.43 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 0.00 795 V 8.18 3.36 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 0.83 0.00 0.00 1.29 0.00 0.00 796 E 8.31 3.94 0.00 2.12 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 2.53 2.48 0.00 797 R 8.13 3.97 0.00 1.85 1.92 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 798 K 7.79 3.63 0.00 0.90 1.46 0.00 0.92 0.00 0.00 1.24 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.21 7.81 799 H 8.10 4.22 0.00 3.37 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 800 F 8.66 4.18 0.00 3.17 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 0.00 801 R 8.12 3.67 0.00 1.87 1.98 0.00 3.09 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 1.55 1.57 0.00 802 Q 7.66 3.82 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 803 A 7.85 3.89 1.26 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 0.00 804 R 7.88 3.55 0.00 0.74 1.48 0.00 3.11 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 805 E 8.10 3.86 0.00 2.15 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 2.27 2.32 0.00 806 K 7.90 3.89 0.00 1.87 1.90 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 807 S 8.05 4.10 0.00 3.92 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 0.00 808 V 8.10 3.56 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 1.01 0.00 0.00 0.92 0.00 0.00 809 S 8.13 4.08 0.00 3.96 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 0.00 810 A 8.11 3.95 1.37 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 0.00 0.00 0.00 811 R 8.02 4.32 0.00 2.02 2.10 0.00 3.32 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 812 I 7.74 3.69 2.01 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 1.52 0.47 0.91 0.00 0.00 813 I 7.70 3.68 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.89 0.00 0.00 814 Q 8.26 3.97 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 815 D 8.29 4.36 0.00 2.83 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 0.00 816 N 8.19 4.36 0.00 2.95 2.85 0.00 0.00 7.05 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 0.00 817 I 8.00 3.64 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.89 0.00 0.00 818 R 8.27 3.77 0.00 1.87 1.91 0.00 3.05 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 819 A 7.85 3.77 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 0.00 820 Y 7.40 2.39 0.00 2.78 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 0.00 821 L 7.67 3.80 0.00 1.52 1.62 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 822 E 7.35 4.07 0.00 1.86 1.86 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 2.23 2.27 0.00 823 F 6.95 4.91 0.00 3.34 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 0.00 824 K 7.52 3.59 0.00 1.52 0.93 0.00 1.42 0.00 0.00 1.36 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.18 1.31 7.81 825 N 8.06 5.01 0.00 2.78 2.93 0.00 0.00 6.88 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 0.00 826 W 8.67 4.72 0.00 3.51 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 827 A 8.78 3.92 1.06 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 0.00 0.00 828 W 6.58 3.72 0.00 1.78 2.15 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 0.00 829 W 7.68 4.35 0.00 3.55 3.65 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 0.00 830 K 8.00 3.59 0.00 1.92 1.74 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.77 7.81 831 L 7.71 3.77 0.00 1.55 1.70 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 832 F 8.34 4.11 0.00 3.18 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 0.00 833 A 7.53 3.40 0.30 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 0.00 0.00 834 K 7.44 3.90 0.00 1.79 1.76 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.47 7.81 835 A 7.77 4.02 1.23 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 0.00 0.00 836 R 7.31 3.44 0.00 1.66 1.72 0.00 3.04 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.00 837 P 0.00 4.29 0.00 1.99 2.05 0.00 3.69 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 1.94 2.09 0.00 838 L 7.71 4.24 0.00 1.74 1.66 0.86 1.14 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 0.00 839 L 6.98 4.47 0.00 1.67 1.57 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 840 V 8.20 3.77 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 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.