NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1465 8.2649 123.5690 52.2978 19.9055 176.2223 2 C 4.7449 7.9316 116.0800 55.3329 42.9962 172.0798 3 Y 4.9790 9.2989 119.1558 56.6916 42.8096 173.4355 4 C 5.3032 9.0168 120.8607 56.7302 39.1422 173.3012 5 R 5.2260 9.9153 122.4292 54.5367 34.2267 174.2916 6 I 4.8358 8.4478 122.2803 59.0506 39.7773 173.7165 7 P 4.5112 0.0000 0.0000 62.4633 32.0085 174.3542 8 A 4.4328 7.1438 119.9242 51.7020 21.6793 176.4802 9 C 4.6125 8.6329 117.4713 56.9169 39.9600 173.5567 10 I 4.4259 8.4523 114.6151 58.5905 39.2928 175.1229 11 A 4.1401 8.3181 124.0688 54.3648 18.3752 178.2641 12 G 4.0281 9.3471 110.3526 45.0494 0.0000 172.7720 13 E 4.9497 7.8261 117.5976 54.3124 33.3081 174.8056 14 R 4.5668 8.7523 120.4592 54.3539 33.4111 174.4988 15 R 4.5522 8.4671 126.2003 56.6301 30.2457 175.3477 16 Y 4.5090 9.3089 124.1794 57.3325 38.9082 177.3242 17 G 4.1974 7.3145 106.3041 46.5459 0.0000 171.2038 18 T 5.2589 8.2902 116.7195 62.2972 72.7430 174.2631 19 C 5.0954 9.5685 122.1868 55.2441 43.9107 172.9317 20 I 5.2297 8.0364 121.2707 59.8243 39.3613 174.9823 21 A 4.5052 9.5581 128.0639 52.4663 22.2414 175.6941 22 Q 3.6094 9.7603 118.2703 57.1033 26.4588 174.7395 23 G 4.0223 8.6596 101.8545 46.2207 0.0000 174.2288 24 R 4.7275 8.2037 117.4770 53.9810 33.9318 174.1295 25 L 5.3095 8.2352 119.5318 53.6354 43.4458 176.1202 26 W 5.2943 9.3455 121.2810 54.7622 33.9267 174.4025 27 A 4.6619 9.3181 125.0409 51.8188 19.6461 176.1995 28 F 5.3471 9.1909 124.6982 57.0753 41.3370 173.9610 29 C 5.4562 8.8119 123.4346 55.3392 42.0662 173.6773 30 C 4.7025 9.2597 120.0095 57.1553 41.9746 173.9632 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 A 8.26 4.15 0.98 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 2 C 7.93 4.74 0.00 2.72 2.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.30 4.98 0.00 2.82 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.02 5.30 0.00 2.62 2.90 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 5 R 9.92 5.23 0.00 1.79 1.86 0.00 3.11 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 6 I 8.45 4.84 1.41 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 1.02 -0.16 0.66 0.00 0.00 7 P 0.00 4.51 0.00 2.13 2.08 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 8 A 7.14 4.43 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 9 C 8.63 4.61 0.00 2.98 3.16 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 10 I 8.45 4.43 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.89 0.00 0.00 11 A 8.32 4.14 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 12 G 9.35 4.03 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 0.00 0.00 0.00 13 E 7.83 4.95 0.00 2.09 1.86 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 2.29 2.23 0.00 14 R 8.75 4.57 0.00 1.71 1.50 0.00 2.93 0.00 0.00 2.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.28 0.00 15 R 8.47 4.55 0.00 1.85 1.79 0.00 3.31 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 16 Y 9.31 4.51 0.00 3.08 3.16 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 17 G 7.31 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 18 T 8.29 5.26 4.30 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 1.35 0.00 0.00 19 C 9.57 5.10 0.00 2.68 2.77 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 20 I 8.04 5.23 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.97 0.00 0.00 21 A 9.56 4.51 0.99 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 0.00 0.00 22 Q 9.76 3.61 0.00 2.49 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 23 G 8.66 4.02 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 0.00 0.00 0.00 24 R 8.20 4.73 0.00 1.89 1.50 0.00 3.23 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 25 L 8.24 5.31 0.00 1.54 1.66 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.35 5.29 0.00 3.23 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 27 A 9.32 4.66 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.19 5.35 0.00 3.17 3.16 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 29 C 8.81 5.46 0.00 2.99 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 30 C 9.26 4.70 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00