NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7110 8.4293 120.3805 56.5139 31.5722 172.2809 2 C 4.4299 8.2932 117.2205 53.8928 40.7027 172.4949 3 D 4.7935 7.9394 114.5664 54.3521 43.1943 176.3513 4 A 4.5980 7.9198 116.9183 51.2473 20.7637 177.8257 5 A 4.6520 7.7340 114.7444 52.7458 21.1575 176.1086 6 T 4.4323 7.6061 112.4545 65.7909 73.2044 174.1363 7 I 3.3059 7.1932 121.8633 61.9946 34.2489 173.0482 8 C 4.5127 7.9402 119.3556 55.4776 41.1329 171.9187 9 P 4.4075 0.0000 0.0000 62.3382 31.5013 176.0392 10 D 4.3162 8.4587 119.7506 54.7269 39.2597 176.4449 11 G 3.8681 8.9419 112.2453 46.7986 0.0000 172.5468 12 T 4.8020 7.7720 107.2456 59.7073 72.2526 172.7475 13 T 4.8362 8.3067 116.4197 60.3768 71.0942 171.1448 14 C 5.9963 8.7589 120.6322 53.0571 42.7337 172.9330 15 S 4.7530 7.8169 114.3179 56.3044 65.9568 172.3996 16 L 3.1691 7.8302 127.5422 54.5190 42.6209 176.0562 17 S 4.8536 8.2376 120.7500 56.1996 64.2061 173.1058 18 P 4.4051 0.0000 0.0000 64.7695 31.1523 176.5242 19 Y 4.1254 7.8731 115.7184 58.0769 38.9825 175.8401 20 G 4.1995 8.1183 108.7826 46.0443 0.0000 173.4456 21 V 4.6573 7.6763 117.0475 60.4580 35.6808 174.0008 22 W 5.3772 8.9999 125.3939 55.0613 31.4932 174.5700 23 Y 5.0743 8.0413 122.1237 55.6924 41.2632 173.3423 24 C 6.1176 9.2150 117.8776 54.5882 37.7263 173.4143 25 S 4.3771 8.0273 115.0144 55.6708 66.0090 172.4548 26 P 4.9534 0.0000 0.0000 62.1778 30.8393 176.3364 27 F 4.9452 6.5001 112.4558 56.5842 38.2616 174.7829 28 S 4.0290 8.3269 122.5611 60.3326 62.7991 172.3667 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 H 8.43 4.71 0.00 3.09 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.29 4.43 0.00 3.05 2.92 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 3 D 7.94 4.79 0.00 2.36 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.60 1.18 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 0.00 0.00 5 A 7.73 4.65 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.43 4.31 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 0.00 0.00 0.00 1.18 0.00 0.00 7 I 7.19 3.31 1.84 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 1.26 0.31 0.88 0.00 0.00 8 C 7.94 4.51 0.00 2.92 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 9 P 0.00 4.41 0.00 2.02 2.01 0.00 3.67 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 2.03 2.10 0.00 10 D 8.46 4.32 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 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 12 T 7.77 4.80 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 T 8.31 4.84 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 1.16 0.00 0.00 14 C 8.76 6.00 0.00 3.18 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 15 S 7.82 4.75 0.00 3.74 3.39 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 16 L 7.83 3.17 0.00 0.27 0.96 0.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.24 4.85 0.00 4.28 3.79 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 0.00 0.00 0.00 18 P 0.00 4.41 0.00 2.15 2.14 0.00 3.91 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 2.18 2.06 0.00 19 Y 7.87 4.13 0.00 2.92 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 20 G 8.12 4.20 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 0.00 0.00 0.00 21 V 7.68 4.66 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 1.12 0.00 0.00 0.98 0.00 0.00 22 W 9.00 5.38 0.00 3.19 3.10 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 0.00 0.00 0.00 23 Y 8.04 5.07 0.00 3.07 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 24 C 9.22 6.12 0.00 2.82 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 25 S 8.03 4.38 0.00 2.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.95 0.00 2.13 2.10 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 27 F 6.50 4.95 0.00 3.06 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 28 S 8.33 4.03 0.00 4.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00