NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4729 8.2393 119.6575 55.3551 32.3130 174.1117 2 C 4.0333 8.3200 114.1323 55.4555 38.7974 171.8723 3 L 4.6696 8.1954 121.8206 53.1835 43.1844 175.7003 4 P 4.7731 0.0000 0.0000 62.0309 32.1777 176.2354 5 S 4.6594 8.0793 116.7998 58.9920 63.4342 174.5246 6 G 3.8842 9.1147 108.3409 45.1571 0.0000 172.6192 7 K 4.6287 7.6636 119.2704 54.2194 36.3612 175.1334 8 A 4.9592 8.7447 125.8184 50.1946 18.3416 175.3928 9 C 4.4748 8.5754 115.6362 54.7382 41.7455 172.0586 10 A 4.6974 7.9549 129.1557 47.8099 17.7853 176.0689 11 G 4.5636 7.5701 114.8980 44.4549 0.0000 172.0522 12 V 3.4697 7.7996 119.8244 66.3458 32.1775 175.5559 13 T 4.3681 7.6219 113.2757 62.0863 67.5257 174.1333 14 Q 4.4486 7.7669 119.2812 54.4569 30.7321 175.7188 15 K 4.1696 8.5552 116.5665 59.1072 32.2113 178.0318 16 I 4.6286 7.2606 116.9863 58.6867 41.0252 173.3773 17 P 4.6318 0.0000 0.0000 62.0522 33.7273 175.1728 18 C 4.5871 8.6397 120.2264 56.9982 43.1540 173.9648 19 C 3.8116 8.8118 127.8712 60.1926 43.8059 174.9555 20 G 3.9403 8.3858 101.4897 46.0123 0.0000 176.7131 21 S 4.6943 8.9663 118.4155 56.5744 66.7829 174.2386 22 C 4.7867 8.9227 125.6098 56.0797 45.3020 172.8008 23 V 4.4764 8.2202 125.5969 62.1074 34.2452 174.9184 24 R 3.9054 9.3358 124.1910 57.5153 27.9227 175.9222 25 G 4.0427 8.2876 100.2654 45.5855 0.0000 173.4248 26 K 4.8661 8.0658 120.7052 54.0991 35.6278 174.1439 27 C 4.2385 9.1335 128.7544 57.6651 44.6733 173.7840 28 S 4.4827 8.6805 121.8928 58.6058 62.4013 174.3223 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 R 8.24 4.47 0.00 1.71 2.04 0.00 3.22 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 2 C 8.32 4.03 0.00 3.16 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.67 0.00 1.58 1.62 0.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.77 0.00 2.07 2.04 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 5 S 8.08 4.66 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.66 4.63 0.00 1.98 1.62 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.40 7.81 8 A 8.74 4.96 1.24 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 0.00 0.00 0.00 9 C 8.58 4.47 0.00 3.01 3.27 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 10 A 7.95 4.70 1.22 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 0.00 0.00 0.00 11 G 7.57 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.47 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 0.79 0.00 0.00 0.93 0.00 0.00 13 T 7.62 4.37 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 14 Q 7.77 4.45 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 15 K 8.56 4.17 0.00 1.77 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.40 7.81 16 I 7.26 4.63 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 1.47 0.85 0.92 0.00 0.00 17 P 0.00 4.63 0.00 2.11 2.22 0.00 3.70 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 2.07 1.96 0.00 18 C 8.64 4.59 0.00 3.02 3.08 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 0.00 0.00 0.00 19 C 8.81 3.81 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 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 0.00 0.00 0.00 21 S 8.97 4.69 0.00 3.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.92 4.79 0.00 3.01 3.04 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 23 V 8.22 4.48 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 0.99 0.00 0.00 1.00 0.00 0.00 24 R 9.34 3.91 0.00 1.94 1.95 0.00 3.49 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 25 G 8.29 4.04 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 0.00 0.00 0.00 26 K 8.07 4.87 0.00 1.92 1.70 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.37 7.81 27 C 9.13 4.24 0.00 3.16 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 28 S 8.68 4.48 0.00 3.90 3.72 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