NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5547 8.1476 118.3244 55.2640 33.4450 173.6929 2 Q 4.8237 8.2162 117.9742 53.3891 30.9801 172.9472 3 I 4.5453 9.1585 115.6185 59.3852 42.3185 174.7850 4 F 5.6036 9.2815 121.1640 55.6303 42.6308 174.9966 5 V 4.8345 8.6714 120.6980 59.8429 34.3284 174.3266 6 K 4.7203 9.3261 128.1838 55.8139 33.6180 176.9550 7 T 4.7324 8.7627 118.9483 60.2711 71.0369 175.0350 8 L 3.9791 8.5601 120.4952 58.3311 41.0185 178.2590 9 T 4.2847 8.0092 107.0010 61.1075 68.8142 175.2750 10 G 3.9781 7.9687 108.5288 46.7129 0.0000 174.3098 11 K 4.4911 7.2496 120.5935 55.9009 35.2726 175.2836 12 T 5.2432 8.2655 115.7461 61.8048 71.8254 173.7875 13 I 4.7264 8.8894 118.8582 59.4593 41.2829 174.2412 14 T 5.2255 8.4759 118.3356 61.8831 71.2763 173.8439 15 L 4.7874 8.9369 123.8008 52.9436 46.2599 175.4017 16 E 4.8288 8.7816 123.2403 55.0549 30.2815 175.0819 17 V 4.7275 8.5526 119.9050 59.5047 35.4777 175.0271 18 E 4.7111 8.9246 120.4319 53.9218 32.7316 175.8250 19 P 4.1326 0.0000 0.0000 65.6962 31.5463 178.0643 20 S 4.4550 7.8562 109.4597 58.4224 63.7231 173.8540 21 D 4.4197 8.0969 123.2581 54.5751 41.3005 176.2621 22 T 4.6304 8.1888 117.3549 61.3387 69.8175 175.5834 23 I 3.7913 8.5291 124.2953 64.0430 36.5941 178.3231 24 E 3.9996 8.0149 119.9936 59.5552 29.2820 178.4763 25 N 4.2908 8.0633 115.0791 56.4875 39.3187 176.4509 26 V 3.6955 7.6404 119.2215 66.0996 31.6733 177.8353 27 K 3.9303 8.0588 117.8582 59.9097 31.8349 179.0822 28 A 4.0897 7.8025 120.0891 54.7512 18.2230 179.8544 29 K 3.9769 8.0106 117.5053 59.5682 32.1493 179.6038 30 I 3.8026 7.6092 119.5340 64.0349 36.9177 178.1266 31 Q 4.1817 7.9318 122.2430 58.4783 28.6701 177.6367 32 D 4.3420 7.5065 119.0976 57.3310 40.9609 178.8193 33 K 4.1598 7.8462 117.3947 59.0591 32.4459 178.5760 34 E 4.5437 8.5291 116.6708 55.1231 29.7903 177.8973 35 G 3.9496 8.7595 107.1923 45.7377 0.0000 174.2041 36 I 3.9116 7.3056 122.3307 60.0389 37.6352 174.0901 37 P 4.3769 0.0000 0.0000 62.1846 31.6550 175.7582 38 P 4.3270 0.0000 0.0000 65.4796 31.4361 178.0821 39 D 4.6048 8.0516 115.4388 54.7860 39.9606 176.4132 40 Q 4.5417 8.1249 118.6762 56.0088 30.0510 175.2307 41 Q 4.8752 7.6185 117.4776 55.1806 30.6092 175.9118 42 R 4.5557 8.4946 120.7279 55.0343 34.5607 173.8808 43 L 5.1476 8.6428 124.2960 53.1354 44.1958 175.4255 44 I 4.8395 8.8989 124.8465 59.4655 40.1554 174.4162 45 F 5.1716 9.1309 128.8164 56.6742 42.9203 174.5762 46 A 3.4520 8.9036 125.1140 53.0131 15.9753 176.5569 47 G 3.8910 8.2189 103.3389 47.2328 0.0000 174.1980 48 K 4.4538 8.3870 118.4925 54.4489 35.6102 174.1322 49 Q 4.8590 8.4217 125.4744 54.6784 29.6763 174.9784 50 L 4.2821 8.0661 127.3944 54.4753 42.7121 176.4210 51 E 4.7568 9.0324 121.5235 54.4753 32.3127 176.8141 52 D 4.4971 9.1145 122.5873 57.8001 41.0124 179.1403 53 G 3.8384 7.9988 104.8148 46.5598 0.0000 173.6783 54 R 4.2791 7.7373 119.7818 55.2761 31.2708 176.1548 55 T 4.9112 8.3366 111.1550 60.1533 70.9904 175.9605 56 L 4.0514 8.4437 121.5746 58.1501 41.3458 179.9767 57 S 4.1986 8.0728 115.0360 61.8371 62.5285 176.5043 58 D 4.2952 7.6197 120.1480 56.4027 40.5213 177.2221 59 Y 4.7549 7.8530 115.1198 56.3685 39.0453 174.7250 60 N 4.1224 8.2771 117.7849 54.4477 37.9945 174.2309 61 I 3.7576 7.7977 117.6616 60.4411 37.3539 176.2121 62 Q 4.4597 8.0911 125.2603 53.4832 30.5770 175.2413 63 K 3.8724 8.3185 118.2033 58.5891 32.5939 176.3295 64 E 3.3561 8.7830 118.7918 57.3271 28.6578 174.7586 65 S 4.5675 7.5826 115.0081 59.6606 64.5629 173.7033 66 T 5.0939 8.5693 117.9840 62.1008 70.0784 174.1477 67 L 4.6574 8.9962 127.6330 54.3218 44.1374 175.5133 68 H 5.2402 9.0697 117.1410 54.0405 31.8095 173.0411 69 L 4.8699 8.4632 125.5441 54.1011 43.0655 175.9156 70 V 4.4946 8.7358 125.5493 60.9909 35.0600 173.6784 71 L 4.6596 8.4855 129.4552 53.8941 43.2237 175.7424 72 R 4.1037 9.0062 127.9702 56.4620 29.7780 176.3043 73 L 4.2758 8.6916 126.9197 55.6149 42.5322 176.6451 74 R 4.2895 7.2208 111.1898 57.8203 32.6418 173.3273 75 G 4.5177 8.8917 114.3253 47.1491 0.0000 172.7903 *76 G 3.7114 7.5445 114.0022 45.0723 0.0000 172.3789 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 1 M 8.15 4.55 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 2 Q 8.22 4.82 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.14 1.94 0.00 3 I 9.16 4.55 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 0.76 0.00 0.00 4 F 9.28 5.60 0.00 2.89 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 5 V 8.67 4.83 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 0.71 0.00 0.00 0.97 0.00 0.00 6 K 9.33 4.72 0.00 1.84 1.81 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.43 7.81 7 T 8.76 4.73 4.30 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 1.26 0.00 0.00 8 L 8.56 3.98 0.00 1.66 1.79 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.01 4.28 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 1.21 0.00 0.00 10 G 7.97 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 0.00 0.00 0.00 11 K 7.25 4.49 0.00 2.04 1.98 0.00 1.26 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 12 T 8.27 5.24 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 1.16 0.00 0.00 13 I 8.89 4.73 1.91 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 1.33 1.04 0.94 0.00 0.00 14 T 8.48 5.23 4.27 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 0.00 0.00 1.17 0.00 0.00 15 L 8.94 4.79 0.00 1.43 1.46 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.78 4.83 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 17 V 8.55 4.73 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 0.70 0.00 0.00 0.92 0.00 0.00 18 E 8.92 4.71 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 2.18 2.37 0.00 19 P 0.00 4.13 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.86 4.46 0.00 3.95 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 21 D 8.10 4.42 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 4.63 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 1.33 0.00 0.00 23 I 8.53 3.79 2.14 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 1.76 0.35 0.95 0.00 0.00 24 E 8.01 4.00 0.00 2.14 2.04 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 2.31 2.33 0.00 25 N 8.06 4.29 0.00 2.75 2.83 0.00 0.00 6.89 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 26 V 7.64 3.70 2.22 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 0.96 0.00 0.00 0.99 0.00 0.00 27 K 8.06 3.93 0.00 2.06 1.88 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.50 7.81 28 A 7.80 4.09 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 29 K 8.01 3.98 0.00 1.99 1.85 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 30 I 7.61 3.80 2.09 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 1.53 0.84 0.92 0.00 0.00 31 Q 7.93 4.18 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 32 D 7.51 4.34 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.85 4.16 0.00 1.76 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 34 E 8.53 4.54 0.00 2.05 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 0.00 2.25 2.45 0.00 35 G 8.76 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 36 I 7.31 3.91 1.88 0.00 0.00 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 1.45 1.38 0.92 0.00 0.00 37 P 0.00 4.38 0.00 2.29 1.99 0.00 3.60 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 2.32 2.13 0.00 38 P 0.00 4.33 0.00 2.18 2.10 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 39 D 8.05 4.60 0.00 2.77 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 40 Q 8.12 4.54 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 41 Q 7.62 4.88 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 42 R 8.49 4.56 0.00 1.80 1.78 0.00 3.10 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 43 L 8.64 5.15 0.00 1.57 1.57 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.90 4.84 1.92 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 1.12 0.87 0.96 0.00 0.00 45 F 9.13 5.17 0.00 2.93 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 46 A 8.90 3.45 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.22 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.39 4.45 0.00 1.66 1.61 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.35 7.81 49 Q 8.42 4.86 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 50 L 8.07 4.28 0.00 1.44 1.27 0.62 0.17 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 51 E 9.03 4.76 0.00 2.01 1.88 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 2.30 2.40 0.00 52 D 9.11 4.50 0.00 2.80 2.77 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 0.00 0.00 0.00 53 G 8.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.74 4.28 0.00 1.97 1.41 0.00 3.00 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 55 T 8.34 4.91 4.34 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 1.25 0.00 0.00 56 L 8.44 4.05 0.00 1.85 1.70 0.94 0.92 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 57 S 8.07 4.20 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.62 4.30 0.00 2.46 2.25 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 0.00 59 Y 7.85 4.75 0.00 2.96 2.97 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 60 N 8.28 4.12 0.00 2.88 3.00 0.00 0.00 7.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.80 3.76 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.36 0.65 0.00 0.00 62 Q 8.09 4.46 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 63 K 8.32 3.87 0.00 1.81 1.79 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 E 8.78 3.36 0.00 2.42 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 0.00 2.26 2.43 0.00 65 S 7.58 4.57 0.00 3.66 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 66 T 8.57 5.09 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 1.20 0.00 0.00 67 L 9.00 4.66 0.00 1.59 1.76 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.07 5.24 0.00 3.22 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.46 4.87 0.00 1.85 1.63 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.74 4.49 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.49 4.66 0.00 1.68 1.55 0.93 0.94 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 72 R 9.01 4.10 0.00 1.87 1.92 0.00 3.31 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 73 L 8.69 4.28 0.00 1.67 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.22 4.29 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 75 G 8.89 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 G 7.54 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 * Residues marked with a * may have inaccurate shift predictions.