NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0612 8.0544 114.0557 61.0840 33.0209 174.8181 2 S 4.2438 8.4090 117.2381 58.0824 62.9566 173.0036 3 C 5.1035 8.4906 122.2310 56.5846 43.1750 174.0249 4 E 4.5184 8.0910 116.6823 57.3550 32.0750 177.0351 5 D 4.3498 8.3636 119.4761 56.4264 41.1288 177.2504 6 C 4.2249 8.1418 118.9664 59.2752 44.0090 173.7684 7 P 4.2286 0.0000 0.0000 65.4814 30.5884 177.9826 8 E 3.8834 8.4113 119.3193 59.6793 29.4563 178.6446 9 H 4.1257 8.4789 114.9745 58.6993 28.9676 176.6561 10 C 4.4507 8.0540 120.1694 59.4141 44.3405 175.6578 11 S 4.2324 8.3383 117.1966 61.4212 62.0604 176.3851 12 T 3.8785 7.1091 117.5940 65.9202 68.7902 175.3266 13 Q 4.5539 7.9025 119.3555 56.0944 29.3687 174.4140 14 K 3.7432 7.9771 112.1954 57.2188 31.5700 173.9236 15 A 4.9181 8.1707 117.1206 50.0291 21.6270 177.0190 16 Q 4.5522 8.9004 119.5402 54.2019 32.5418 173.9131 17 A 5.0044 8.6544 127.8639 50.1784 20.8517 176.2435 18 K 4.1602 8.7952 125.7778 56.0471 32.9855 175.1297 19 C 5.0293 8.6559 129.1222 55.8089 45.0565 172.5616 20 D 4.7613 8.8060 126.2315 53.9825 44.6298 175.2574 21 N 4.1731 9.6117 120.8061 54.7735 37.3550 173.0544 22 D 4.3743 8.4152 110.2529 54.8741 39.7806 173.0782 23 K 4.4777 8.0715 116.9253 54.1323 35.3215 174.6116 24 C 4.7959 8.8156 126.2094 56.0013 45.6282 173.3474 25 V 4.2375 8.5784 127.4671 61.2380 31.9007 172.8470 26 C 4.8427 8.5435 124.1408 56.4271 42.4352 172.6919 27 E 4.6467 9.3898 125.4370 53.6543 31.4394 173.3937 28 P 4.8708 0.0000 0.0000 62.0101 33.1463 176.5336 29 I 3.9726 7.7005 119.9799 61.7049 37.0862 176.1512 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 8.05 4.06 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 0.91 0.00 0.00 0.95 0.00 0.00 2 S 8.41 4.24 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 5.10 0.00 2.96 3.03 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 4 E 8.09 4.52 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 5 D 8.36 4.35 0.00 2.83 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 6 C 8.14 4.22 0.00 3.20 3.06 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 0.00 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.31 2.53 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 8 E 8.41 3.88 0.00 2.10 2.19 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 2.28 2.49 0.00 9 H 8.48 4.13 0.00 3.25 3.40 0.00 5.90 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.05 4.45 0.00 3.24 3.18 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 0.00 0.00 0.00 0.00 11 S 8.34 4.23 0.00 4.09 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 12 T 7.11 3.88 4.34 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 1.20 0.00 0.00 13 Q 7.90 4.55 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 14 K 7.98 3.74 0.00 1.87 1.81 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.36 7.81 15 A 8.17 4.92 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 16 Q 8.90 4.55 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 17 A 8.65 5.00 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 18 K 8.80 4.16 0.00 1.85 1.73 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 19 C 8.66 5.03 0.00 3.16 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 20 D 8.81 4.76 0.00 2.68 2.47 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 21 N 9.61 4.17 0.00 2.81 2.84 0.00 0.00 7.06 8.47 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 22 D 8.42 4.37 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.48 0.00 1.94 1.68 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.39 7.81 24 C 8.82 4.80 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.24 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 0.94 0.00 0.00 1.03 0.00 0.00 26 C 8.54 4.84 0.00 2.90 3.02 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 27 E 9.39 4.65 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 28 P 0.00 4.87 0.00 2.12 2.04 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 29 I 7.70 3.97 2.05 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 1.32 0.82 0.91 0.00 0.00