NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2418 8.3449 121.7114 55.9558 30.1281 174.7773 2 R 4.2952 8.2818 124.1865 52.8284 31.6463 174.8267 3 R 4.1454 8.9455 117.3416 55.8518 31.1313 176.4177 4 S 4.2078 8.3974 116.1142 58.2041 63.3931 174.5907 5 R 3.8569 8.6608 123.2860 57.2305 30.2965 176.5960 6 T 3.9151 8.2419 118.8405 63.4643 69.1564 174.4373 7 T 4.3780 7.8448 121.1117 61.5992 69.7717 174.0535 8 F 4.5361 8.5870 126.2428 56.9394 39.8364 176.7768 9 S 4.5010 9.4883 120.8630 57.7253 65.2635 175.4111 10 A 4.0114 8.4558 124.0137 55.2141 17.9682 180.1136 11 S 4.1075 8.0251 112.5262 61.5323 63.1356 176.7516 12 Q 3.9219 7.8884 121.7355 58.8454 28.4626 178.5078 13 L 3.6115 8.1445 120.3018 57.7774 41.5962 179.4324 14 D 4.2687 8.1194 118.8565 57.2283 40.8014 178.3723 15 E 3.8938 7.8187 119.9716 59.3006 29.6421 178.9441 16 L 3.7039 7.6488 118.9977 57.4820 41.5126 179.3298 17 E 4.1229 8.1742 118.9719 59.4111 28.8647 179.5666 18 R 3.9892 8.1640 118.0049 59.2059 30.0386 179.0000 19 A 4.1770 8.0965 120.5861 55.0887 18.1662 179.4795 20 F 4.6226 8.1181 119.8960 61.0336 39.4980 176.9862 21 E 4.1942 8.2135 117.5061 59.0624 29.2701 179.2885 22 R 4.1236 7.4849 116.6585 58.1135 30.3863 177.0541 23 T 4.5241 7.7829 111.7222 61.1756 70.6325 173.9146 24 Q 3.7848 8.5984 126.5316 57.3527 29.5778 175.7694 25 Y 4.6868 7.7964 115.0171 55.4171 38.3091 173.4066 26 P 4.3370 0.0000 0.0000 62.3616 32.7461 177.7298 27 D 4.6549 8.2807 120.5555 52.4434 42.2818 176.8559 28 I 3.4636 7.9267 117.8109 64.5665 37.7857 177.2387 29 Y 4.1480 7.1875 116.8676 61.5367 37.8383 178.6763 30 T 3.9729 8.4186 116.6077 66.6895 68.5426 177.1113 31 R 3.9304 8.0986 120.1699 59.0964 30.0452 178.8886 32 E 4.0605 8.4675 118.7646 58.9929 29.4060 178.8892 33 E 3.9549 8.3428 119.6118 59.1774 29.7087 178.8928 34 L 3.9621 7.9395 118.7214 57.6926 41.7366 179.1724 35 A 4.0170 8.0523 120.7058 55.3821 18.4656 179.4924 36 Q 3.9366 8.0799 117.9074 59.4858 28.9196 178.7150 37 R 4.0971 8.1080 118.4884 58.4202 30.1568 178.0536 38 T 4.3993 7.8303 106.6569 60.3686 69.3750 173.9868 39 N 4.2074 7.7417 116.4279 54.8494 36.6469 173.6837 40 L 4.8594 7.7806 115.9529 52.8248 45.4221 176.4451 41 T 4.3867 8.0271 109.5697 60.6869 70.2215 175.4597 42 E 3.9666 8.8804 123.3220 59.5760 29.3492 179.2764 43 A 4.0553 7.9622 120.3973 55.2449 18.5600 179.6800 44 R 4.0348 8.0898 116.4330 59.2862 30.0891 179.4860 45 I 3.9623 7.8341 119.4001 64.3947 37.1580 178.0755 46 Q 4.0401 8.5934 120.8592 59.4323 28.8770 178.6300 47 V 3.6939 8.2152 119.3486 65.6491 31.4508 177.7489 48 W 3.9290 8.6355 128.2386 60.5070 30.4779 178.0198 49 F 3.9982 8.8626 117.7754 60.5476 38.4855 177.6101 50 Q 4.0102 8.2524 117.7237 59.2774 28.5726 178.8474 51 N 4.2877 8.2208 117.3742 55.9827 38.4171 177.5476 52 R 3.2678 7.6048 120.5067 58.7399 29.7591 178.7237 53 R 4.0811 8.2434 118.4103 59.0420 30.0642 178.1377 54 A 4.0014 7.9051 122.8431 55.5712 18.1106 180.0682 55 R 3.7917 7.6744 118.3677 61.5667 29.5906 180.4669 56 L 4.2847 7.2564 119.7303 58.1652 42.1751 179.0581 57 R 4.0019 8.0995 119.3099 59.4532 30.0562 177.5275 *58 K 4.1129 8.1952 124.2532 54.7101 32.4920 177.7598 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 Q 8.34 4.24 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 2 R 8.28 4.30 0.00 1.92 1.84 0.00 3.27 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 3 R 8.95 4.15 0.00 1.91 1.93 0.00 3.05 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 4 S 8.40 4.21 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.66 3.86 0.00 1.78 1.90 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 6 T 8.24 3.92 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 0.52 0.00 0.00 7 T 7.84 4.38 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 1.22 0.00 0.00 8 F 8.59 4.54 0.00 3.05 2.92 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 9 S 9.49 4.50 0.00 4.01 4.01 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 10 A 8.46 4.01 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 0.00 0.00 0.00 0.00 0.00 11 S 8.03 4.11 0.00 4.05 4.13 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 12 Q 7.89 3.92 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 13 L 8.14 3.61 0.00 1.62 1.66 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.12 4.27 0.00 2.91 2.68 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 0.00 0.00 0.00 0.00 15 E 7.82 3.89 0.00 1.97 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 2.24 2.34 0.00 16 L 7.65 3.70 0.00 0.51 0.13 -0.35 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.17 4.12 0.00 1.94 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 2.50 2.50 0.00 18 R 8.16 3.99 0.00 2.08 2.00 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 19 A 8.10 4.18 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.12 4.62 0.00 3.14 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 21 E 8.21 4.19 0.00 2.27 2.06 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 2.47 2.77 0.00 22 R 7.48 4.12 0.00 2.07 2.03 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 23 T 7.78 4.52 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 24 Q 8.60 3.78 0.00 1.89 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.13 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 25 Y 7.80 4.69 0.00 2.86 2.85 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 26 P 0.00 4.34 0.00 1.95 1.84 0.00 3.38 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 27 D 8.28 4.65 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.93 3.46 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.13 0.05 0.00 0.00 29 Y 7.19 4.15 0.00 3.09 2.98 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 30 T 8.42 3.97 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 1.21 0.00 0.00 31 R 8.10 3.93 0.00 1.89 1.92 0.00 3.00 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.71 0.00 32 E 8.47 4.06 0.00 2.03 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 0.00 2.31 2.52 0.00 33 E 8.34 3.95 0.00 2.27 2.14 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 2.30 2.22 0.00 34 L 7.94 3.96 0.00 2.04 1.74 1.06 0.75 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 35 A 8.05 4.02 1.45 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 0.00 0.00 36 Q 8.08 3.94 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 37 R 8.11 4.10 0.00 2.03 2.02 0.00 3.20 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 38 T 7.83 4.40 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 1.18 0.00 0.00 39 N 7.74 4.21 0.00 3.26 2.94 0.00 0.00 6.70 7.73 0.00 0.00 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 L 7.78 4.86 0.00 1.68 1.63 1.16 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.03 4.39 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 1.22 0.00 0.00 42 E 8.88 3.97 0.00 2.03 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 0.00 2.37 2.31 0.00 43 A 7.96 4.06 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 44 R 8.09 4.03 0.00 2.02 2.24 0.00 3.30 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 45 I 7.83 3.96 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.10 1.07 0.00 0.00 46 Q 8.59 4.04 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 47 V 8.22 3.69 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 48 W 8.64 3.93 0.00 3.44 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 49 F 8.86 4.00 0.00 3.42 3.19 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 0.00 0.00 0.00 0.00 50 Q 8.25 4.01 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 51 N 8.22 4.29 0.00 2.44 2.63 0.00 0.00 6.72 7.20 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 52 R 7.60 3.27 0.00 0.67 0.99 0.00 2.24 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 8.24 4.08 0.00 2.05 1.93 0.00 2.69 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 54 A 7.91 4.00 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 55 R 7.67 3.79 0.00 1.94 1.90 0.00 3.28 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 1.59 1.54 0.00 56 L 7.26 4.28 0.00 1.80 1.91 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.10 4.00 0.00 2.12 1.99 0.00 3.27 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 *58 K 8.20 4.11 0.00 1.46 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.