NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0775 8.0249 121.4464 59.9853 37.4552 174.4885 13 P 4.1555 0.0000 0.0000 62.3763 32.0879 174.6529 14 E 3.9889 8.8805 122.5985 59.2189 30.4107 179.3405 15 W 4.4459 8.3211 116.3494 59.4790 28.1207 178.4678 16 K 3.1772 6.7789 119.3241 58.8611 31.4661 179.4076 17 Q 3.8827 7.5680 117.8544 59.0646 28.8045 178.4512 18 E 4.0309 8.6158 119.9068 59.0867 29.4139 179.1460 19 E 3.9716 8.0110 119.5419 59.1775 29.6785 178.7518 20 V 3.5777 7.7422 118.3034 66.0914 31.4467 177.7849 21 D 4.2865 8.0284 117.9027 57.4456 40.6788 178.5982 22 A 4.0203 7.8280 120.6938 55.1586 18.1563 179.8396 23 I 3.7232 7.8877 118.4341 64.5213 37.0348 178.7961 24 V 3.6480 8.1155 119.2566 65.4858 31.1055 177.8466 25 E 3.9698 8.2093 119.4737 59.6371 29.4353 178.5511 26 M 4.2248 7.6329 115.8660 57.4412 32.0985 178.3475 27 I 3.9475 7.3617 119.8646 63.9547 37.3477 177.8470 28 E 4.1201 7.6872 117.8110 59.2232 29.4796 178.3420 29 S 4.2391 7.5156 112.0964 60.4929 64.0028 175.3660 *63 R 4.1707 7.5538 118.5648 55.5661 32.3724 176.3311 64 N 4.4083 8.5738 119.0503 56.4119 38.6103 177.9707 65 T 3.9410 7.8236 111.1749 64.6514 68.9519 176.4338 66 L 4.1122 7.8226 120.6616 56.5108 41.7041 179.2379 67 L 4.0308 7.5089 119.7726 57.8465 41.6843 178.9237 68 E 3.9323 8.0377 118.4322 59.3599 29.1344 179.3795 69 R 3.8276 7.7322 117.5117 59.5846 30.6144 178.2125 70 A 4.1226 7.7330 120.4471 54.9599 18.0822 179.6964 71 L 4.0279 7.8560 117.0570 58.0989 41.8296 178.8633 72 D 4.5258 8.1980 118.3309 56.4630 40.7809 176.5726 73 D 4.5489 7.5428 121.3795 53.2685 39.4963 175.7015 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 12 I 8.02 4.08 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.82 0.00 0.00 13 P 0.00 4.16 0.00 1.97 2.25 0.00 3.47 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 14 E 8.88 3.99 0.00 2.08 2.20 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 2.41 2.39 0.00 15 W 8.32 4.45 0.00 3.63 3.34 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 16 K 6.78 3.18 0.00 1.39 1.39 0.00 1.30 0.00 0.00 1.27 0.00 0.00 2.72 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.57 3.88 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 18 E 8.62 4.03 0.00 2.02 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 2.35 2.52 0.00 19 E 8.01 3.97 0.00 2.32 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 0.00 2.35 2.36 0.00 20 V 7.74 3.58 2.18 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 1.03 0.00 0.00 0.87 0.00 0.00 21 D 8.03 4.29 0.00 2.95 2.69 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 22 A 7.83 4.02 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 23 I 7.89 3.72 2.00 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 1.42 1.65 0.91 0.00 0.00 24 V 8.12 3.65 2.18 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 0.99 0.00 0.00 1.00 0.00 0.00 25 E 8.21 3.97 0.00 2.24 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 2.31 2.35 0.00 26 M 7.63 4.22 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 27 I 7.36 3.95 2.03 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 1.52 0.73 0.91 0.00 0.00 28 E 7.69 4.12 0.00 2.13 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 0.00 2.34 2.55 0.00 29 S 7.52 4.24 0.00 3.93 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 *63 R 7.55 4.17 0.00 1.94 1.96 0.00 3.22 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 64 N 8.57 4.41 0.00 2.77 2.87 0.00 0.00 6.78 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.82 3.94 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 1.21 0.00 0.00 66 L 7.82 4.11 0.00 1.84 1.71 0.79 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.51 4.03 0.00 1.79 1.70 0.93 0.82 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 68 E 8.04 3.93 0.00 2.17 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 0.00 2.33 2.49 0.00 69 R 7.73 3.83 0.00 1.98 2.08 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 70 A 7.73 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.86 4.03 0.00 1.77 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.20 4.53 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.54 4.55 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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.