NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9147 8.3549 109.7533 45.5487 0.0000 174.5449 2 Y 3.8251 8.2147 118.2365 56.9373 38.1127 173.7752 3 K 4.2958 9.3076 126.4879 56.0673 33.9699 177.1058 4 T 4.0313 8.5696 120.9297 66.5118 68.7493 175.5130 5 S 4.3146 7.8267 116.9848 57.6343 63.5409 173.9189 6 I 3.8371 8.1724 125.0867 61.7854 38.2717 176.4150 7 S 4.5973 8.0034 121.6497 57.7702 65.0537 174.4753 8 T 4.5854 7.7529 123.5144 62.4547 66.3480 175.5277 9 I 3.7033 7.5266 124.1850 64.4310 38.1224 177.0090 10 T 4.7722 7.5063 111.7091 64.1518 75.7363 173.9689 11 I 4.5811 7.4477 113.1039 58.6338 40.5389 173.6171 12 E 4.2854 8.5103 123.0221 55.4684 30.1189 175.0447 13 D 4.4434 7.8206 122.2849 53.7188 43.9557 174.2050 14 N 4.2845 9.0202 118.8657 54.1438 42.8760 173.6956 15 G 3.7911 9.0457 115.3278 45.3256 0.0000 178.1771 16 R 3.5965 8.6579 126.1910 56.7937 28.2781 174.7890 17 C 5.3518 8.5218 118.6548 55.8681 43.0038 173.9778 18 T 4.1713 8.3760 114.8111 61.9694 69.1401 174.7490 19 K 4.6333 7.9283 122.3906 55.3372 32.8254 175.1131 20 S 4.5409 7.3052 112.6963 58.5321 66.9003 173.7000 21 I 4.4905 8.1682 118.7366 59.2096 39.5422 174.1198 22 P 4.8518 0.0000 0.0000 61.2854 32.8350 174.5997 23 P 4.5166 0.0000 0.0000 62.5078 30.3793 175.2413 24 I 4.5785 8.6657 122.8494 59.6979 41.7663 174.4159 25 C 5.2394 8.4970 123.6587 54.9426 38.7108 173.3651 26 F 4.9861 7.4241 120.6511 55.9309 42.9905 173.2718 27 P 4.4085 0.0000 0.0000 61.7206 28.6268 174.9239 28 D 4.4883 7.3712 118.8815 53.7542 44.7090 174.1747 29 G 4.3452 8.3756 111.4270 45.2512 0.0000 172.3231 30 R 4.5436 8.7155 122.6656 54.3036 31.2584 175.0357 31 P 4.5090 0.0000 0.0000 62.7836 31.0418 176.3656 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 8.35 3.91 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 0.00 0.00 0.00 2 Y 8.21 3.83 0.00 2.91 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 3 K 9.31 4.30 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 4 T 8.57 4.03 4.25 0.00 0.00 0.00 0.00 0.00 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 5 S 7.83 4.31 0.00 3.86 3.80 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 6 I 8.17 3.84 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 1.41 0.62 0.91 0.00 0.00 7 S 8.00 4.60 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.59 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 1.24 0.00 0.00 9 I 7.53 3.70 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.71 0.89 0.00 0.00 10 T 7.51 4.77 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 1.20 0.00 0.00 11 I 7.45 4.58 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.91 0.00 0.00 12 E 8.51 4.29 0.00 1.94 1.90 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 2.25 2.28 0.00 13 D 7.82 4.44 0.00 2.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.02 4.28 0.00 2.66 2.63 0.00 0.00 7.03 8.35 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 15 G 9.05 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 0.00 0.00 0.00 16 R 8.66 3.60 0.00 2.05 1.86 0.00 3.28 0.00 0.00 3.34 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 17 C 8.52 5.35 0.00 2.93 2.98 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 18 T 8.38 4.17 4.28 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 1.33 0.00 0.00 19 K 7.93 4.63 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.34 7.81 20 S 7.31 4.54 0.00 3.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.49 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.81 0.93 0.00 0.00 22 P 0.00 4.85 0.00 2.13 2.04 0.00 3.86 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 1.99 2.02 0.00 23 P 0.00 4.52 0.00 2.08 2.09 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 24 I 8.67 4.58 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.28 1.07 0.00 0.00 25 C 8.50 5.24 0.00 3.05 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 26 F 7.42 4.99 0.00 2.82 2.85 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 27 P 0.00 4.41 0.00 1.37 1.79 0.00 2.34 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.46 0.00 28 D 7.37 4.49 0.00 2.52 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 29 G 8.38 4.35 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 30 R 8.72 4.54 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 31 P 0.00 4.51 0.00 1.94 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00