NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3984 8.2493 123.5848 52.3899 20.0062 175.1949 3 T 4.4756 8.0559 109.0785 59.1155 71.5333 171.2847 4 G 4.3726 8.5869 111.1279 46.6526 0.0000 173.5397 5 I 4.3827 7.5344 120.0993 58.9939 38.8207 175.9598 6 V 4.0322 8.2985 124.5236 62.9081 31.5558 175.6085 7 K 4.2751 8.9594 129.8327 58.8438 32.7254 176.7179 8 W 4.9301 7.9300 125.2065 56.6116 33.8531 172.9852 9 F 4.1925 7.7727 127.1011 56.4398 42.5474 173.0921 10 N 4.2817 6.3889 122.4220 51.4222 40.2579 174.7456 11 D 4.3498 8.6864 126.8007 56.7820 40.6984 177.5758 12 A 3.9517 7.2470 122.0613 54.8345 18.7560 178.2770 13 K 4.1598 8.3222 115.8760 56.5540 33.1008 177.5060 14 G 3.6903 8.8102 107.7763 45.6237 0.0000 172.9319 15 F 4.9015 6.3804 111.6511 55.6427 41.6190 174.0917 16 G 4.3211 8.2804 105.9777 45.6722 0.0000 170.9380 17 F 5.5513 9.6916 117.9976 55.8933 43.3913 174.1518 18 I 4.9621 9.2477 124.2703 60.0745 39.5385 174.8379 19 T 4.9260 8.6992 124.6251 61.8693 69.5419 172.9883 20 P 4.6696 0.0000 0.0000 62.6131 32.4704 176.3213 21 D 4.4416 9.2178 122.4259 57.6817 41.3488 177.9812 22 E 4.3822 7.9776 115.9582 55.5722 29.1725 176.2716 23 G 3.8391 8.1231 107.5531 45.5511 0.0000 170.5213 24 G 3.6946 8.4482 102.9158 44.0664 0.0000 172.7814 25 E 4.4413 8.3714 118.8139 54.8389 30.7637 176.1151 26 D 4.8500 8.5513 124.0374 54.6943 41.8754 175.5442 27 L 5.0049 9.2210 122.4890 52.7954 44.5631 175.6936 28 F 4.3562 9.1854 125.5416 58.1403 40.4009 174.3504 29 A 4.4809 8.0805 127.2989 50.3379 21.5637 174.7057 30 H 4.7423 8.5448 121.6050 55.7223 31.3272 176.3458 31 F 4.2803 8.9175 120.7628 59.8413 37.7713 177.5802 32 S 3.6309 7.0216 113.9463 59.8990 62.9312 174.8708 33 A 4.1216 7.7414 123.4563 53.8431 18.3205 177.7251 34 I 3.8556 7.3487 118.1450 61.2675 37.6834 175.8292 35 N 4.6968 8.5409 124.3651 52.4088 41.2560 174.3228 *37 E 4.3072 8.5769 115.5852 56.5193 31.2766 178.0181 38 G 3.5505 8.1034 105.8058 47.0650 0.0000 173.8926 39 F 4.7832 7.6340 116.2593 57.0439 40.2618 176.0313 40 K 4.2032 8.1980 120.1895 57.8208 32.2538 176.3243 41 T 4.6555 7.5745 111.9717 59.9545 70.3246 172.3357 42 L 4.8853 8.1597 123.6322 52.8032 43.9295 176.1103 43 K 4.5655 8.8282 122.6761 53.9368 34.7344 175.1643 44 E 4.1960 8.6015 126.2141 57.7205 29.8780 176.9264 45 G 3.9854 8.9265 115.0753 45.1705 0.0000 173.2654 46 Q 3.9963 7.6841 121.4682 55.9737 29.6103 175.2637 47 R 4.3390 8.5780 126.1947 56.2333 31.1983 175.3685 48 V 5.1194 8.4744 118.5781 59.7290 36.0617 174.7287 49 S 4.7242 9.0666 117.6189 56.9343 65.8937 172.8158 50 F 5.3123 7.3432 113.6373 56.2498 40.1630 173.2826 51 D 4.7452 8.9846 120.3445 54.3307 42.2393 175.3875 52 V 4.9517 8.1637 120.3429 61.8084 33.7498 174.6498 53 T 4.5925 8.5434 120.0007 61.4112 71.4172 172.4326 54 T 4.7641 8.6037 124.2590 62.8053 69.3332 174.0739 55 G 4.3124 8.8685 117.9295 42.8224 0.0000 170.7720 56 P 4.1875 0.0000 0.0000 65.7790 31.1937 177.8047 57 K 4.2412 8.1498 114.3239 56.7771 33.1490 177.2246 58 G 3.9851 8.0608 105.5716 43.4901 0.0000 174.5046 59 K 4.4320 8.4995 126.8352 56.5772 32.6752 176.2459 60 Q 4.6579 9.2946 125.7476 53.8745 33.5639 174.1460 61 A 4.5323 8.4574 123.6147 51.5698 19.2502 176.8770 62 A 4.5575 9.1204 124.8653 49.5782 22.4900 175.3524 63 N 4.3089 8.4485 114.8840 54.7080 37.3277 174.5944 64 I 4.4495 7.4633 117.5148 61.6609 38.5092 177.1738 65 Q 4.7204 9.3881 124.4155 53.7163 33.6882 174.2437 66 A 4.4084 8.5903 122.5924 52.0527 19.2641 177.5595 67 A 4.2788 8.2536 122.3063 52.0123 18.9607 176.0249 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 2 A 8.25 4.40 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 3 T 8.06 4.48 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 4 G 8.59 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 0.00 0.00 0.00 0.00 5 I 7.53 4.38 1.92 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 1.22 0.78 0.96 0.00 0.00 6 V 8.30 4.03 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 0.83 0.00 0.00 0.95 0.00 0.00 7 K 8.96 4.28 0.00 1.89 2.14 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.54 1.55 7.81 8 W 7.93 4.93 0.00 3.47 3.07 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 0.00 0.00 0.00 9 F 7.77 4.19 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 6.39 4.28 0.00 1.68 1.65 0.00 0.00 7.29 8.24 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 11 D 8.69 4.35 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 12 A 7.25 3.95 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 13 K 8.32 4.16 0.00 1.85 2.23 0.00 2.12 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.45 7.81 14 G 8.81 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 15 F 6.38 4.90 0.00 2.47 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 16 G 8.28 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 0.00 0.00 0.00 0.00 17 F 9.69 5.55 0.00 3.21 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 18 I 9.25 4.96 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.99 0.00 0.00 19 T 8.70 4.93 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 1.26 0.00 0.00 20 P 0.00 4.67 0.00 2.34 2.10 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 21 D 9.22 4.44 0.00 2.90 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 22 E 7.98 4.38 0.00 2.08 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 0.00 2.28 2.26 0.00 23 G 8.12 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 24 G 8.45 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 25 E 8.37 4.44 0.00 1.96 1.89 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 2.29 2.34 0.00 26 D 8.55 4.85 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 9.22 5.00 0.00 1.66 1.69 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.19 4.36 0.00 3.14 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 29 A 8.08 4.48 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 30 H 8.54 4.74 0.00 3.30 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.92 4.28 0.00 3.32 3.52 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 32 S 7.02 3.63 0.00 3.72 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.12 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 34 I 7.35 3.86 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.88 0.00 0.00 35 N 8.54 4.70 0.00 2.82 2.75 0.00 0.00 7.17 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 *37 E 8.58 4.31 0.00 2.18 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 0.00 2.31 2.27 0.00 38 G 8.10 3.55 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 0.00 39 F 7.63 4.78 0.00 3.14 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 40 K 8.20 4.20 0.00 1.76 1.87 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 41 T 7.57 4.66 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 1.16 0.00 0.00 42 L 8.16 4.89 0.00 1.64 1.55 0.96 0.77 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 43 K 8.83 4.57 0.00 1.82 1.60 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.34 7.81 44 E 8.60 4.20 0.00 1.96 1.85 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 2.29 2.31 0.00 45 G 8.93 3.99 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 0.00 0.00 0.00 46 Q 7.68 4.00 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 47 R 8.58 4.34 0.00 1.96 1.80 0.00 3.19 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 48 V 8.47 5.12 2.30 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 0.87 0.00 0.00 1.13 0.00 0.00 49 S 9.07 4.72 0.00 3.65 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 50 F 7.34 5.31 0.00 3.12 3.01 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 51 D 8.98 4.75 0.00 2.77 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 52 V 8.16 4.95 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 0.82 0.00 0.00 1.13 0.00 0.00 53 T 8.54 4.59 4.26 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 1.27 0.00 0.00 54 T 8.60 4.76 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 55 G 8.87 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 0.00 0.00 0.00 0.00 56 P 0.00 4.19 0.00 2.04 2.13 0.00 3.78 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 2.02 2.12 0.00 57 K 8.15 4.24 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.51 7.81 58 G 8.06 3.99 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 0.00 0.00 0.00 59 K 8.50 4.43 0.00 1.78 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 60 Q 9.29 4.66 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 61 A 8.46 4.53 0.71 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 62 A 9.12 4.56 1.25 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 0.00 0.00 63 N 8.45 4.31 0.00 2.79 2.85 0.00 0.00 7.04 7.94 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 64 I 7.46 4.45 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.99 0.00 0.00 65 Q 9.39 4.72 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 66 A 8.59 4.41 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 0.00 0.00 0.00 0.00 0.00 67 A 8.25 4.28 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.