NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 747 D 4.6201 8.2233 120.1907 53.2596 42.3487 176.4009 748 P 4.1502 0.0000 0.0000 64.5437 31.5475 175.5924 749 L 4.5339 8.6692 117.4748 54.7472 43.2623 177.3806 750 Y 4.0007 8.2315 121.7454 60.7613 38.6583 177.3023 751 D 4.2176 8.2205 118.4757 57.4273 41.2052 177.7669 752 E 3.8956 8.1302 118.9692 59.2496 29.6400 178.5044 753 A 4.0126 8.2228 121.1438 54.9757 18.3100 179.8595 754 V 3.3368 7.8142 117.3275 65.8799 31.5300 178.0906 755 R 3.8125 7.9933 118.5596 59.4165 29.8399 178.0395 756 F 4.1110 8.4040 120.4759 61.5225 39.4166 177.2930 757 V 3.2045 8.1010 118.3008 66.0063 31.1620 178.0764 758 T 3.8716 8.0631 109.7724 64.4670 68.4423 176.7665 759 E 3.9171 8.0002 121.0795 59.1865 29.7562 178.9555 760 S 4.1017 7.8280 112.4996 58.8273 63.2837 175.2275 761 R 3.7299 7.5050 119.4349 56.5801 27.8879 176.0768 762 R 4.2473 7.5361 117.6810 54.9495 30.4228 177.2672 763 A 4.5978 8.2112 131.1830 50.7480 18.0871 176.4751 764 S 4.7925 7.2975 117.2642 55.0427 68.2586 175.2672 765 I 3.6131 8.2260 124.1305 64.4938 36.9268 178.4307 766 S 4.0839 8.1900 113.2961 61.5796 62.1786 176.0559 767 A 4.0731 8.1862 123.2132 55.2109 18.0780 179.8227 768 V 3.3950 7.9302 116.8099 66.1659 31.6333 178.2284 769 Q 3.9410 8.5736 118.1767 59.0588 28.2971 179.2111 770 R 3.9004 7.8195 118.1439 58.8980 30.2133 178.7303 771 K 3.8046 7.5750 118.3409 59.2216 32.2531 178.3654 772 L 4.1085 7.7513 116.3718 53.9002 42.7242 176.4382 773 K 3.8121 7.9501 117.5651 57.7478 29.5465 173.8754 774 I 4.6207 7.2793 109.9375 58.0467 41.3218 175.8682 775 G 3.8796 8.2280 106.6673 44.1913 0.0000 173.9493 776 Y 3.9802 8.5645 121.4403 60.8458 38.8588 178.3586 777 N 4.3985 8.3185 116.8152 56.2797 38.8382 177.2408 778 R 3.8615 7.9889 119.4389 59.4341 30.2773 178.3208 779 A 3.9725 8.1670 120.4030 54.9553 18.3144 179.5025 780 A 3.7979 8.0317 119.8419 55.2844 18.3336 180.1202 781 R 3.9121 8.1628 116.6611 59.4845 29.9720 179.2558 782 M 4.2202 7.9357 118.5230 58.3264 31.9961 178.7849 783 I 3.7187 7.8758 120.0112 64.3949 37.2277 178.0164 784 E 3.9339 8.3553 119.9117 59.3133 29.4421 178.7303 785 A 3.9632 8.3153 120.8872 55.3729 18.3200 179.5096 786 M 4.1837 8.5199 117.6741 58.5703 32.0066 178.6046 787 E 4.2205 8.2006 120.7913 59.1200 29.6080 178.8121 788 M 4.1873 8.2067 117.7729 57.9183 32.1090 177.6885 789 A 4.4199 7.9506 118.2397 51.7695 19.0829 177.9875 790 G 3.8623 7.8420 105.4979 45.8187 0.0000 175.0862 791 V 3.8822 8.1485 122.4069 64.8092 32.2827 176.3418 792 V 5.0643 7.5840 111.7588 59.2333 35.8505 175.5659 793 T 4.1621 8.6456 113.4032 60.6827 69.7285 172.5012 794 P 4.7578 0.0000 0.0000 62.0436 32.2827 176.0058 795 M 4.4311 8.5050 121.7506 55.8457 33.0740 175.9120 796 N 4.8164 8.9835 124.1274 51.5026 39.5431 175.7503 797 T 3.8915 8.4065 107.5993 63.9951 68.7880 174.5043 798 N 4.6591 8.2520 118.2284 52.5032 37.5706 175.4024 799 G 3.9244 8.5109 106.5863 45.6610 0.0000 173.4172 800 S 4.9494 7.4311 114.0543 56.2880 66.2338 173.0867 801 R 5.0699 8.4879 118.5327 54.5732 33.8645 174.2382 802 E 4.8000 8.9317 118.9359 54.5625 34.1667 175.0478 803 V 4.3188 8.2152 121.0267 62.6188 32.0137 175.5605 804 I 4.1889 8.6536 128.9478 63.4724 37.9468 176.9480 805 A 4.1262 7.9168 123.2233 51.2030 18.8781 175.3159 806 P 4.3957 0.0000 0.0000 61.8918 32.2808 176.3240 807 A 4.3338 8.2369 122.4547 51.2536 18.8465 176.0004 808 P 4.1441 0.0000 0.0000 66.1800 31.7204 177.6069 *809 V 3.9215 7.6540 118.3164 60.9236 32.2369 177.5194 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 747 D 8.22 4.62 0.00 2.75 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 0.00 748 P 0.00 4.15 0.00 2.18 2.12 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 749 L 8.67 4.53 0.00 1.82 1.68 0.91 1.00 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 0.00 750 Y 8.23 4.00 0.00 3.01 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 0.00 751 D 8.22 4.22 0.00 2.87 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 0.00 752 E 8.13 3.90 0.00 2.06 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 2.36 2.37 0.00 753 A 8.22 4.01 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 0.00 754 V 7.81 3.34 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 0.96 0.00 0.00 0.18 0.00 0.00 755 R 7.99 3.81 0.00 1.97 2.07 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 756 F 8.40 4.11 0.00 3.15 3.22 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 0.00 757 V 8.10 3.20 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 0.92 0.00 0.00 1.08 0.00 0.00 758 T 8.06 3.87 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 1.17 0.00 0.00 759 E 8.00 3.92 0.00 1.91 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 2.31 2.38 0.00 760 S 7.83 4.10 0.00 3.69 3.41 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 0.00 761 R 7.50 3.73 0.00 1.93 2.05 0.00 3.34 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 762 R 7.54 4.25 0.00 1.66 1.91 0.00 3.15 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 763 A 8.21 4.60 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 0.00 764 S 7.30 4.79 0.00 4.02 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 0.00 765 I 8.23 3.61 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.43 0.43 0.00 0.00 766 S 8.19 4.08 0.00 3.94 3.92 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 0.00 0.00 0.00 767 A 8.19 4.07 1.58 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 0.00 768 V 7.93 3.39 2.18 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 1.08 0.00 0.00 1.08 0.00 0.00 769 Q 8.57 3.94 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 770 R 7.82 3.90 0.00 1.88 1.94 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 771 K 7.58 3.80 0.00 0.79 0.90 0.00 1.46 0.00 0.00 1.44 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.41 1.11 7.81 772 L 7.75 4.11 0.00 1.68 1.63 0.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 773 K 7.95 3.81 0.00 1.89 1.85 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.30 7.81 774 I 7.28 4.62 1.86 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 1.30 0.64 0.96 0.00 0.00 775 G 8.23 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 0.00 0.00 0.00 776 Y 8.56 3.98 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 N 8.32 4.40 0.00 2.88 2.90 0.00 0.00 6.70 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 0.00 778 R 7.99 3.86 0.00 1.88 2.07 0.00 3.19 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 779 A 8.17 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 780 A 8.03 3.80 1.10 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 0.00 0.00 781 R 8.16 3.91 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 782 M 7.94 4.22 0.00 2.21 2.33 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 2.81 2.71 0.00 783 I 7.88 3.72 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.10 0.91 0.00 0.00 784 E 8.36 3.93 0.00 2.04 2.10 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 2.31 2.34 0.00 785 A 8.32 3.96 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 786 M 8.52 4.18 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.61 0.00 787 E 8.20 4.22 0.00 2.06 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 2.31 2.22 0.00 788 M 8.21 4.19 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.55 0.00 789 A 7.95 4.42 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 0.00 0.00 0.00 791 V 8.15 3.88 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 0.97 0.00 0.00 792 V 7.58 5.06 2.16 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 0.83 0.00 0.00 0.96 0.00 0.00 793 T 8.65 4.16 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 794 P 0.00 4.76 0.00 1.96 2.04 0.00 3.73 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 795 M 8.51 4.43 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 796 N 8.98 4.82 0.00 2.92 2.96 0.00 0.00 6.53 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 0.00 797 T 8.41 3.89 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 1.21 0.00 0.00 798 N 8.25 4.66 0.00 2.83 2.95 0.00 0.00 6.20 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 799 G 8.51 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 800 S 7.43 4.95 0.00 3.91 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 0.00 801 R 8.49 5.07 0.00 1.86 1.84 0.00 3.29 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 802 E 8.93 4.80 0.00 1.82 1.77 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 2.20 2.35 0.00 803 V 8.22 4.32 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 0.85 0.00 0.00 0.94 0.00 0.00 804 I 8.65 4.19 2.13 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 1.16 0.69 0.91 0.00 0.00 805 A 7.92 4.13 1.22 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 0.00 0.00 0.00 806 P 0.00 4.40 0.00 2.17 2.05 0.00 3.77 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 1.97 1.95 0.00 807 A 8.24 4.33 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 0.00 808 P 0.00 4.14 0.00 2.03 2.13 0.00 3.67 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 2.01 2.07 0.00 *809 V 7.65 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.