NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0347 7.9127 114.0579 60.8518 32.8563 175.0320 2 S 4.1562 7.9201 111.9888 56.6508 63.2776 170.5589 3 C 5.2926 9.7807 123.3751 54.0460 45.4540 173.2811 4 T 4.3616 8.5132 113.8206 64.8231 70.0805 174.3175 5 G 4.1643 7.4619 107.3474 43.0512 0.0000 172.8126 6 S 4.0933 8.7471 112.0757 61.6281 62.0380 176.0188 7 K 3.3550 7.9051 119.0782 59.5558 31.9660 178.3097 8 D 4.4523 7.8214 117.5758 57.4612 41.3979 178.3094 9 C 4.6340 8.3841 117.7037 58.6117 38.2537 174.8201 10 Y 3.9024 8.1627 118.4405 61.3501 37.3715 177.8273 11 A 4.0399 7.8368 120.7467 54.5303 18.5614 177.9942 12 P 4.1524 0.0000 0.0000 66.1544 31.6038 178.6418 13 C 3.8766 8.2303 118.8768 59.7166 41.6585 175.4644 14 R 3.7651 8.2776 119.9605 59.2637 29.4599 177.9675 15 K 3.8320 8.0457 118.9281 60.4245 32.2313 177.8754 16 Q 4.0898 8.4934 118.9602 57.9614 29.0370 175.7263 17 T 4.2455 7.7758 109.4639 64.5576 69.8117 174.8694 18 G 4.2723 7.8905 109.8707 46.4846 0.0000 170.9176 19 C 4.5285 7.6378 115.0591 54.3487 43.1219 172.8096 20 P 4.2071 0.0000 0.0000 65.5884 30.9464 175.7601 21 N 5.4110 7.7970 114.6479 49.2432 42.6453 172.4684 22 A 4.8944 8.4592 120.8128 50.2212 22.8582 175.2272 23 K 4.7239 9.0041 119.4983 54.8278 35.5878 174.1459 24 C 5.3806 8.7627 124.2367 54.9367 48.3124 172.9131 25 I 4.7822 8.6137 123.9015 59.2050 41.0888 175.5387 26 N 5.4423 8.6697 120.7247 53.2824 38.7604 175.6428 27 K 4.6020 7.7825 119.0236 57.7585 35.4237 175.8299 28 S 5.0139 7.5069 111.5179 58.9985 66.0374 174.1750 29 C 5.1903 8.7567 119.7296 54.8211 47.0848 172.4218 30 K 4.7440 8.9503 124.4758 54.8164 34.7310 174.4616 31 C 4.7641 8.9299 126.6849 55.7943 45.6074 170.3691 32 Y 4.1499 8.4400 119.6191 57.1365 40.4767 178.8902 33 G 3.3962 7.6637 107.7119 46.2181 0.0000 172.8129 34 C 4.2232 7.0329 119.9946 53.4860 43.4122 174.1165 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 V 7.91 4.03 2.09 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 0.79 0.00 0.00 0.97 0.00 0.00 2 S 7.92 4.16 0.00 3.95 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 3 C 9.78 5.29 0.00 3.26 3.20 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 4 T 8.51 4.36 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 5 G 7.46 4.16 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 0.00 0.00 0.00 6 S 8.75 4.09 0.00 3.90 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 7 K 7.91 3.36 0.00 1.64 1.72 0.00 1.55 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.26 1.31 7.81 8 D 7.82 4.45 0.00 2.81 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 9 C 8.38 4.63 0.00 3.19 3.37 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 10 Y 8.16 3.90 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.29 2.33 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 13 C 8.23 3.88 0.00 3.04 3.30 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 0.00 14 R 8.28 3.77 0.00 1.96 2.10 0.00 3.20 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 15 K 8.05 3.83 0.00 1.90 2.03 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 16 Q 8.49 4.09 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 17 T 7.78 4.25 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 7.89 4.27 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 0.00 19 C 7.64 4.53 0.00 3.24 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 20 P 0.00 4.21 0.00 2.16 2.20 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 21 N 7.80 5.41 0.00 2.28 2.66 0.00 0.00 6.85 7.31 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 22 A 8.46 4.89 1.26 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 0.00 0.00 0.00 23 K 9.00 4.72 0.00 1.93 1.71 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.43 7.81 24 C 8.76 5.38 0.00 3.08 2.86 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 0.00 0.00 0.00 25 I 8.61 4.78 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.94 0.00 0.00 26 N 8.67 5.44 0.00 2.72 2.83 0.00 0.00 7.08 7.61 0.00 0.00 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 K 7.78 4.60 0.00 1.64 1.79 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.34 7.81 28 S 7.51 5.01 0.00 3.85 3.94 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 29 C 8.76 5.19 0.00 3.02 3.01 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 30 K 8.95 4.74 0.00 1.91 1.75 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.49 7.81 31 C 8.93 4.76 0.00 3.03 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 32 Y 8.44 4.15 0.00 3.05 2.80 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 0.00 0.00 0.00 33 G 7.66 3.40 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 0.00 0.00 0.00 0.00 34 C 7.03 4.22 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00