NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9367 8.3393 109.7322 45.7620 0.0000 172.6877 2 T 4.2864 7.9846 108.4450 61.9586 69.2947 172.5067 3 T 4.8968 7.6568 118.7529 63.1222 71.0074 175.0717 4 C 4.7701 8.8736 120.9330 53.7902 45.0606 172.5114 5 Y 4.7819 8.7009 121.3233 57.0522 38.8548 176.0398 6 C 4.5136 9.0765 123.7087 55.9651 41.2214 175.6348 7 G 3.8932 9.2677 118.6354 45.7546 0.0000 172.6351 8 K 4.5138 8.8609 118.2394 56.0982 35.0024 176.8679 9 T 4.2725 7.8244 118.2156 62.4787 69.6099 173.5420 10 I 3.9670 8.4505 127.0894 60.6855 38.9745 174.7215 11 G 4.6082 8.8344 116.5359 44.4057 0.0000 170.6708 12 I 4.7435 8.5798 120.5335 59.0514 40.5312 173.9631 13 Y 4.7986 8.8511 131.5544 56.6225 39.0064 175.0562 14 W 4.2762 9.3986 129.3463 55.6828 30.2010 175.6622 15 F 4.5587 8.8308 128.7166 58.4427 39.0064 174.4287 16 G 3.3469 6.7632 115.0575 45.4779 0.0000 172.9995 17 T 4.5959 7.4359 113.0911 60.3924 70.4868 173.2567 18 K 4.4113 8.5079 122.9942 56.2923 33.0266 176.2393 19 T 4.3911 7.5473 116.6972 61.2562 70.1502 173.4079 20 C 3.7630 8.6138 124.6578 56.0869 40.0453 171.2913 21 P 4.0809 0.0000 0.0000 63.1645 30.7172 176.8090 22 S 4.7282 8.3869 122.3714 59.3098 62.8159 174.7576 23 N 4.9129 8.3646 114.9782 52.4947 37.0477 174.4031 24 R 4.1816 8.6453 115.0671 55.2423 32.4356 175.2266 25 G 3.4834 7.0992 114.7436 45.7273 0.0000 172.6489 26 Y 4.4812 7.2596 118.0323 58.2205 38.7357 175.4439 27 T 4.4545 8.9926 119.2401 64.6184 70.7113 174.8488 28 G 3.9779 7.2908 106.4045 44.0837 0.0000 171.5139 29 S 5.1157 8.1556 113.8098 56.6742 66.3352 173.7592 30 C 4.9351 9.4913 121.1868 54.9709 42.5415 173.2623 31 G 4.0902 8.9285 111.3252 46.7553 0.0000 172.2197 32 Y 4.4485 8.8975 128.1326 54.6006 41.0493 174.0551 33 F 4.2296 7.7215 120.2599 58.4572 38.7522 174.5948 34 L 3.7800 8.8594 127.6418 55.3628 40.7029 173.7442 35 G 4.5672 8.0207 103.1346 45.4945 0.0000 172.2107 36 I 5.2118 8.7419 119.5616 59.5734 41.6149 174.1947 37 C 5.2569 9.8105 127.8830 56.3540 39.8100 171.6364 38 C 5.1305 9.1097 123.1972 55.4253 38.7171 172.9033 39 Y 5.4187 8.4463 121.7473 54.5718 41.3421 173.3844 40 P 5.1652 0.0000 0.0000 61.9819 32.9848 176.8069 41 V 3.9486 8.5306 121.7167 63.6395 30.8362 175.6489 42 D 4.4993 8.5534 125.7841 54.0408 41.1302 176.0699 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 G 8.34 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 2 T 7.98 4.29 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 1.24 0.00 0.00 3 T 7.66 4.90 4.11 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 0.82 0.00 0.00 4 C 8.87 4.77 0.00 2.60 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 5 Y 8.70 4.78 0.00 2.86 2.89 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 6 C 9.08 4.51 0.00 2.39 2.88 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 7 G 9.27 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 0.00 0.00 0.00 8 K 8.86 4.51 0.00 1.79 1.83 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.40 7.81 9 T 7.82 4.27 3.59 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 1.27 0.00 0.00 10 I 8.45 3.97 1.96 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 1.14 0.79 0.96 0.00 0.00 11 G 8.83 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.58 4.74 1.82 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.62 0.98 0.00 0.00 13 Y 8.85 4.80 0.00 2.61 2.88 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 14 W 9.40 4.28 0.00 3.28 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 15 F 8.83 4.56 0.00 2.41 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 16 G 6.76 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.44 4.60 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 18 K 8.51 4.41 0.00 1.72 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.39 7.81 19 T 7.55 4.39 4.11 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 1.12 0.00 0.00 20 C 8.61 3.76 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 2.09 1.74 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.04 0.00 22 S 8.39 4.73 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.36 4.91 0.00 2.72 2.80 0.00 0.00 6.67 7.84 0.00 0.00 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 R 8.65 4.18 0.00 1.18 1.00 0.00 3.28 0.00 0.00 3.27 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 25 G 7.10 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.26 4.48 0.00 2.97 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 27 T 8.99 4.45 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 G 7.29 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 0.00 0.00 0.00 29 S 8.16 5.12 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.49 4.94 0.00 3.02 3.19 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 0.00 0.00 0.00 31 G 8.93 4.09 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 0.00 0.00 0.00 32 Y 8.90 4.45 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.72 4.23 0.00 2.99 3.05 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 0.00 0.00 0.00 0.00 34 L 8.86 3.78 0.00 2.16 2.19 0.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.02 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.74 5.21 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.63 1.03 0.00 0.00 37 C 9.81 5.26 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 9.11 5.13 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.45 5.42 0.00 3.11 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 40 P 0.00 5.17 0.00 2.08 2.16 0.00 3.84 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 2.13 2.26 0.00 41 V 8.53 3.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 42 D 8.55 4.50 0.00 2.58 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00