NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4854 8.4045 118.7933 53.4696 33.9679 175.4632 2 K 4.3697 8.0003 119.4086 55.3510 37.1736 176.7814 3 E 3.9870 9.7058 121.3781 56.0140 28.8312 173.8730 4 G 4.2131 9.1186 104.2028 46.6981 0.0000 174.5279 5 I 4.1393 7.4446 119.8164 61.0929 36.5700 180.5537 *6 H 4.6262 7.8970 118.6955 55.1982 28.1428 177.2415 7 P 4.9254 0.0000 0.0000 63.2720 34.6809 174.4841 8 K 4.4463 7.2556 125.9628 55.9352 38.3792 174.9275 9 L 4.0868 8.9060 127.0665 55.8799 45.8823 172.0263 10 V 3.6561 9.4416 117.6876 61.6696 31.2566 174.6935 11 P 5.0164 0.0000 0.0000 63.0031 33.8452 176.9859 12 A 4.4295 8.2928 122.3107 54.1412 18.2704 179.2957 13 R 4.2836 8.2649 118.4754 58.6364 31.6373 180.2707 14 I 4.4636 8.3887 114.5695 61.0714 36.5511 180.2290 15 I 4.0217 7.4960 123.9335 60.8833 33.7545 178.9017 16 C 3.3995 8.4156 118.3990 57.8429 39.7953 174.9034 17 G 3.8679 8.4294 114.1549 45.1126 0.0000 175.7307 18 C 4.5632 8.1600 128.4121 54.9198 36.9477 173.7693 19 G 3.6735 7.9799 116.9822 46.2851 0.0000 174.1586 20 N 4.5752 8.3739 120.1245 53.8508 37.2633 177.1165 21 V 4.5677 7.5110 114.8595 61.2896 34.1533 180.2925 22 I 3.9182 9.0021 120.3439 64.7613 35.3558 181.9097 23 E 4.7297 8.2298 113.2653 57.5536 36.5663 178.1001 24 T 4.4589 8.3732 111.6698 61.1295 69.9103 175.9114 *25 Y 4.6360 8.1405 129.4528 56.2414 36.2919 174.8783 26 S 4.5415 8.7738 114.7409 60.7119 61.3696 175.5858 27 T 4.0748 7.4925 117.7208 62.2393 68.8648 177.6067 28 K 4.4933 7.8591 126.3525 54.1689 34.6984 176.8568 29 P 4.1346 0.0000 0.0000 64.3266 27.3440 177.9342 30 E 4.2833 8.3019 111.6294 57.0664 29.1819 179.4673 31 I 3.3476 8.6396 118.7029 62.8919 33.4738 177.1570 *32 Y 4.3208 7.9563 124.8316 57.6051 37.5111 177.9473 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 8.40 4.49 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 8.00 4.37 0.00 1.71 1.64 0.00 1.90 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.07 7.81 3 E 9.71 3.99 0.00 2.14 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 2.12 1.86 0.00 4 G 9.12 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.14 1.87 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 1.16 0.77 0.91 0.00 0.00 *6 H 7.90 4.63 0.00 2.92 2.89 0.00 7.11 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.93 0.00 2.02 1.78 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 8 K 7.26 4.45 0.00 1.71 1.45 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.11 0.83 7.81 9 L 8.91 4.09 0.00 1.50 1.33 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.44 3.66 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 5.02 0.00 1.94 1.96 0.00 3.69 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 1.93 1.58 0.00 12 A 8.29 4.43 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 13 R 8.26 4.28 0.00 1.72 1.65 0.00 3.26 0.00 0.00 3.20 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 14 I 8.39 4.46 1.87 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 1.27 1.13 0.91 0.00 0.00 15 I 7.50 4.02 1.87 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 1.16 1.10 0.91 0.00 0.00 16 C 8.42 3.40 0.00 2.72 2.83 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 17 G 8.43 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.16 4.56 0.00 2.75 2.94 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 19 G 7.98 3.67 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 0.00 0.00 0.00 20 N 8.37 4.58 0.00 2.66 2.80 0.00 0.00 6.62 7.67 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 21 V 7.51 4.57 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 22 I 9.00 3.92 1.87 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 1.16 1.09 0.91 0.00 0.00 23 E 8.23 4.73 0.00 1.93 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 2.13 1.87 0.00 24 T 8.37 4.46 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 *25 Y 8.14 4.64 0.00 2.32 1.47 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 0.00 26 S 8.77 4.54 0.00 3.62 3.77 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 27 T 7.49 4.07 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 28 K 7.86 4.49 0.00 1.76 1.61 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 0.98 7.81 29 P 0.00 4.13 0.00 2.16 2.12 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 30 E 8.30 4.28 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 31 I 8.64 3.35 1.87 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 1.16 0.99 0.91 0.00 0.00 *32 Y 7.96 4.32 0.00 2.28 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.