NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8399 8.2133 109.7199 45.1469 0.0000 173.6142 3 K 3.2503 8.4425 117.3921 59.0356 32.0331 177.4032 4 G 3.1937 7.5914 106.8641 47.6532 0.0000 173.0117 5 D 4.4656 7.6729 118.9195 54.6886 41.6302 175.8738 6 R 4.4686 8.3176 119.1240 57.0071 32.0006 177.4845 7 R 4.0988 8.9961 115.1714 56.2759 30.6353 176.3267 8 T 4.4672 7.4597 109.3589 59.7026 70.2591 174.4752 9 R 4.0344 7.9962 122.3527 57.9698 30.4072 178.1926 10 R 3.9457 8.6744 115.6725 59.6152 31.4493 177.8974 11 G 4.3222 7.7039 105.3537 42.5818 0.0000 171.4453 12 K 4.4689 7.4208 122.0259 57.4517 39.0654 177.0461 13 I 3.6946 7.6600 118.0544 63.7598 37.4966 176.9681 14 W 4.2314 8.4139 129.1356 60.5380 30.6230 177.0658 15 R 3.9452 8.3379 116.7247 60.0553 29.5947 178.2583 16 G 4.2050 8.4039 106.1006 45.8928 0.0000 173.0314 17 T 4.8303 7.6865 107.5069 59.6128 71.8582 171.5734 18 Y 4.7611 9.5308 118.5679 56.1001 41.9357 174.6376 19 G 3.9836 8.5424 106.3855 45.4951 0.0000 172.3403 20 K 4.0345 8.8017 120.6060 60.1216 31.8509 178.3558 21 Y 4.0030 8.5265 113.0996 59.6508 38.0891 176.0121 22 R 4.4111 9.0493 121.5585 54.3748 31.8117 172.1344 23 P 5.1730 0.0000 0.0000 61.5346 33.1338 176.4887 24 R 4.4744 7.7963 118.6331 54.3611 30.2680 175.4032 25 K 3.8537 8.1391 124.7686 55.9445 32.8791 176.4695 *26 K 4.1330 8.3712 121.1595 54.7884 32.3269 175.5387 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 G 8.21 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 3 K 8.44 3.25 0.00 1.13 0.74 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.26 7.81 4 G 7.59 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 0.00 0.00 0.00 5 D 7.67 4.47 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.32 4.47 0.00 1.75 1.89 0.00 3.22 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 7 R 9.00 4.10 0.00 1.74 1.84 0.00 3.09 0.00 0.00 2.99 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.39 0.00 8 T 7.46 4.47 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 1.27 0.00 0.00 9 R 8.00 4.03 0.00 1.92 1.77 0.00 3.26 0.00 0.00 3.33 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 10 R 8.67 3.95 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 11 G 7.70 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 12 K 7.42 4.47 0.00 2.16 1.78 0.00 1.59 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.60 7.81 13 I 7.66 3.69 1.91 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 1.09 0.82 0.90 0.00 0.00 14 W 8.41 4.23 0.00 3.29 3.29 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 15 R 8.34 3.95 0.00 2.01 2.21 0.00 3.48 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 16 G 8.40 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.69 4.83 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 1.24 0.00 0.00 18 Y 9.53 4.76 0.00 2.87 3.09 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 0.00 0.00 0.00 19 G 8.54 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 20 K 8.80 4.03 0.00 1.88 2.26 0.00 1.93 0.00 0.00 2.13 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.53 7.81 21 Y 8.53 4.00 0.00 2.95 3.16 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 0.00 0.00 0.00 22 R 9.05 4.41 0.00 1.71 1.86 0.00 2.68 0.00 0.00 2.53 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 23 P 0.00 5.17 0.00 2.13 2.00 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.27 0.00 24 R 7.80 4.47 0.00 1.66 1.78 0.00 3.39 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.68 0.00 25 K 8.14 3.85 0.00 1.90 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81 *26 K 8.37 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.