NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3441 8.3444 121.9773 55.9933 30.6808 173.8931 2 V 4.3819 7.6105 117.9728 62.6206 31.9283 175.2882 3 Q 4.6172 9.1930 125.9326 55.2121 32.9491 171.9307 4 L 5.1859 8.6247 125.3004 52.9743 44.4873 175.3346 5 L 4.6255 8.6394 126.9198 53.4864 43.7655 175.0591 6 E 5.8615 8.9315 125.6729 53.8436 31.6349 175.8714 7 S 4.3263 8.8010 117.4442 58.4025 63.9301 173.8110 8 G 3.8338 8.5094 109.3113 44.1329 0.0000 173.0496 9 A 4.1550 8.2470 122.0339 52.8063 18.7593 176.9882 10 E 4.7453 8.2837 117.5112 54.8080 33.6785 174.7567 11 L 4.8119 8.3571 123.4805 53.5139 44.8584 175.4870 12 M 4.8584 8.2016 123.4753 53.6019 36.1012 174.9510 13 K 4.3167 8.3561 120.8789 54.9111 33.3060 175.3577 14 P 4.3255 0.0000 0.0000 64.0641 31.7505 177.3474 15 G 3.8914 8.8248 107.8922 45.7321 0.0000 173.6885 16 A 4.3617 7.1417 121.5316 51.2407 20.1409 175.7750 17 S 4.7799 8.1877 110.7443 56.7136 65.7312 173.4633 18 V 4.4567 7.9063 121.4140 59.7328 34.1591 174.9478 19 K 4.3030 8.3473 121.1123 54.7932 33.8308 175.2037 20 I 4.5295 8.1733 127.6523 60.1568 38.5994 175.7089 21 S 4.9373 8.7717 121.2558 57.3348 65.9334 172.8975 22 C 5.2082 8.6675 120.9399 55.2688 42.6884 172.9958 23 K 4.3788 9.4331 127.2838 55.6068 32.5525 177.1263 24 A 4.7603 8.5359 127.1464 52.2831 19.9352 176.3356 25 T 3.9109 8.6111 112.5824 63.9650 73.5865 174.5755 26 G 3.9609 10.1356 112.8200 45.7471 0.0000 172.3080 27 Y 4.5474 7.0540 114.7779 56.0580 40.1756 174.1000 28 T 3.9824 8.3792 116.9231 63.4757 67.5807 174.8951 29 F 4.0646 8.7109 130.4727 61.1097 39.5749 177.7028 30 S 4.0756 8.1530 114.0343 60.8895 62.9914 175.0275 31 S 4.2136 7.6213 112.0110 58.4642 63.3851 173.6908 32 F 4.8433 7.3069 120.6950 55.2384 40.7006 175.5186 33 W 4.4925 9.0133 125.0344 56.9320 30.0820 175.4822 34 I 4.5104 9.3521 124.3704 59.7916 38.8539 175.0848 35 E 5.0950 8.7894 126.4815 55.2655 31.5248 175.7389 36 W 5.0184 8.8715 120.7836 55.1694 33.0667 174.9264 37 V 4.9998 8.5634 116.7316 59.5240 35.0720 174.7316 38 K 4.5154 9.3521 126.2080 55.2493 34.2304 175.2358 39 Q 5.3208 8.5040 126.6776 53.5966 31.2926 173.9771 40 R 4.6134 8.5260 125.7849 54.5798 32.1266 176.9527 41 P 4.1623 0.0000 0.0000 65.2913 31.6714 177.3035 42 G 4.0782 8.1144 103.4850 45.6115 0.0000 173.2058 43 H 4.7618 8.9939 115.3244 54.1213 30.6381 176.5374 44 G 3.7021 7.8276 108.7978 46.6121 0.0000 172.5134 45 L 4.9127 8.4206 121.9472 53.6201 43.3078 175.4071 46 E 4.7839 9.0867 123.6186 54.0714 33.1170 174.1625 47 W 4.8346 8.9856 135.0000 57.1995 30.8205 175.7072 48 I 3.7659 8.7458 129.6814 62.5340 37.5430 176.9396 49 G 2.5171 5.5971 107.3439 44.6374 0.0000 170.0532 50 E 5.5868 7.8512 116.3241 55.1949 33.2769 174.7468 51 I 4.8121 9.2905 119.9456 59.7092 41.8341 174.6401 52 L 3.9243 8.0071 128.1895 52.2178 42.1880 174.3685 *521 P 4.1212 0.0000 0.0000 62.6303 31.4427 176.8226 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 4.34 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 2 V 7.61 4.38 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 0.72 0.00 0.00 0.90 0.00 0.00 3 Q 9.19 4.62 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 4 L 8.62 5.19 0.00 1.47 1.51 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.64 4.63 0.00 1.71 1.53 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.93 5.86 0.00 1.92 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 2.46 2.12 0.00 7 S 8.80 4.33 0.00 3.90 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 8 G 8.51 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 0.00 0.00 0.00 9 A 8.25 4.16 1.27 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 0.00 0.00 0.00 10 E 8.28 4.75 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 11 L 8.36 4.81 0.00 1.53 1.50 0.92 0.86 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 12 M 8.20 4.86 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 13 K 8.36 4.32 0.00 1.74 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.36 7.81 14 P 0.00 4.33 0.00 2.21 2.17 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 15 G 8.82 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 16 A 7.14 4.36 1.28 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 0.00 0.00 0.00 17 S 8.19 4.78 0.00 3.75 3.66 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 0.00 0.00 0.00 0.00 18 V 7.91 4.46 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 0.74 0.00 0.00 0.92 0.00 0.00 19 K 8.35 4.30 0.00 1.61 1.68 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.45 7.81 20 I 8.17 4.53 1.88 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 1.45 0.68 1.16 0.00 0.00 21 S 8.77 4.94 0.00 3.98 4.03 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 0.00 0.00 0.00 22 C 8.67 5.21 0.00 3.06 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 23 K 9.43 4.38 0.00 1.81 1.73 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.52 7.81 24 A 8.54 4.76 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 25 T 8.61 3.91 4.44 0.00 0.00 0.00 0.00 0.00 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 26 G 10.14 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.05 4.55 0.00 3.02 2.82 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 28 T 8.38 3.98 4.47 0.00 0.00 0.00 0.00 0.00 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 29 F 8.71 4.06 0.00 2.76 2.96 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 0.00 0.00 0.00 30 S 8.15 4.08 0.00 3.98 4.02 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 0.00 0.00 0.00 31 S 7.62 4.21 0.00 3.77 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 32 F 7.31 4.84 0.00 3.28 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 33 W 9.01 4.49 0.00 3.24 3.35 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 0.00 0.00 0.00 0.00 34 I 9.35 4.51 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 1.22 1.01 0.67 0.00 0.00 35 E 8.79 5.10 0.00 1.92 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 0.00 2.39 2.42 0.00 36 W 8.87 5.02 0.00 3.10 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 37 V 8.56 5.00 2.33 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 0.79 0.00 0.00 1.01 0.00 0.00 38 K 9.35 4.52 0.00 1.81 1.69 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 39 Q 8.50 5.32 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 40 R 8.53 4.61 0.00 1.85 1.80 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 41 P 0.00 4.16 0.00 2.09 2.07 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 42 G 8.11 4.08 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 0.00 0.00 0.00 43 H 8.99 4.76 0.00 3.08 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.83 3.70 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 0.00 0.00 0.00 45 L 8.42 4.91 0.00 1.69 1.67 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.09 4.78 0.00 2.04 1.80 0.00 0.00 0.00 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 2.29 0.00 47 W 8.99 4.83 0.00 3.30 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 48 I 8.75 3.77 1.82 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 1.14 0.84 0.77 0.00 0.00 49 G 5.60 2.52 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 50 E 7.85 5.59 0.00 2.48 2.52 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 2.70 2.54 0.00 51 I 9.29 4.81 1.97 0.00 0.00 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 1.28 1.14 0.94 0.00 0.00 52 L 8.01 3.92 0.00 0.27 0.84 0.51 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *521 P 0.00 4.12 0.00 1.67 1.33 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.00 * Residues marked with a * may have inaccurate shift predictions.