NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.5016 8.4244 119.2048 52.7359 40.4205 174.6183 2 E 3.9056 6.9359 119.3121 57.0397 30.7903 172.7672 3 E 4.1494 7.3606 121.1748 55.5548 32.1587 175.7817 4 P 4.4981 0.0000 0.0000 64.8475 30.6954 176.8101 5 L 3.7405 7.6858 115.6990 56.0304 39.8870 173.3910 6 P 4.6905 0.0000 0.0000 62.4912 33.6672 175.6656 7 E 4.1293 8.9477 114.7855 59.7595 30.1893 177.4246 8 G 3.6611 7.8844 106.9841 48.0992 0.0000 172.7378 9 W 5.7282 7.8894 116.5981 53.7865 32.0321 173.2620 10 E 4.8660 9.9296 121.9837 54.5458 32.1938 174.3579 11 I 5.3511 8.7137 126.9875 59.7700 39.6305 174.8906 12 R 4.7465 9.4242 126.9064 54.3210 32.8086 174.9658 13 Y 4.3952 7.5522 120.4697 55.5218 39.9433 173.9851 14 T 4.3664 7.3749 115.0008 64.2636 72.4810 176.4686 15 R 4.3284 7.7057 120.8835 55.2303 32.2096 177.2461 16 E 3.9510 8.4385 119.4351 58.8373 29.7514 179.7107 17 G 4.2117 7.5283 106.4547 44.9043 0.0000 173.0815 18 V 3.8954 7.4278 119.3195 62.5278 32.0596 175.6070 19 R 3.5166 7.5697 115.7704 57.3562 29.9963 174.5112 20 Y 4.3462 8.7933 117.1162 55.6231 41.4082 173.6018 21 F 5.8893 8.4811 117.6845 55.9498 43.3991 175.4070 22 V 4.7884 9.6321 122.6259 60.6497 33.8623 173.9274 23 D 5.0850 10.5623 125.9953 53.7556 41.5963 175.5726 24 H 4.2335 8.7649 123.3462 58.8522 30.3221 174.3738 25 N 5.0850 9.7262 116.0393 51.4399 41.8873 174.8522 26 T 4.0794 8.5893 117.7453 65.1104 68.7625 175.4150 27 R 4.0475 8.2005 121.9650 59.2705 30.1336 176.7219 28 T 4.7433 7.8382 114.8043 62.0317 71.8310 173.3273 29 T 4.9278 8.5048 116.2239 60.4369 71.4717 173.3844 30 T 4.5889 10.3379 124.9853 62.0442 70.1620 173.9635 31 F 5.1238 8.7251 121.8105 55.0312 39.6956 175.1763 32 K 4.3858 8.6771 122.5690 53.7653 34.5202 175.5464 33 D 4.4540 8.5423 119.7787 54.6230 41.8223 176.4489 34 P 4.6426 0.0000 0.0000 62.5333 30.3001 177.8248 35 R 4.0224 7.7937 119.8859 59.6090 30.8200 177.4787 36 N 4.3288 8.3142 114.3308 55.0584 37.3508 174.9351 37 G 3.9295 7.8011 108.7797 46.1530 0.0000 174.0267 38 K 3.9487 7.2630 117.5785 56.5723 32.8063 176.4406 39 S 4.3071 8.6592 118.6801 58.7361 62.8331 173.9802 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 N 8.42 4.50 0.00 2.85 2.80 0.00 0.00 6.89 6.77 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 2 E 6.94 3.91 0.00 1.73 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.27 0.00 3 E 7.36 4.15 0.00 1.81 1.96 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 2.50 2.53 0.00 4 P 0.00 4.50 0.00 2.21 2.13 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 5 L 7.69 3.74 0.00 1.80 1.83 1.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.69 0.00 2.26 2.18 0.00 4.19 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 2.31 2.12 0.00 7 E 8.95 4.13 0.00 2.05 2.09 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 2.18 2.17 0.00 8 G 7.88 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.89 5.73 0.00 3.20 3.23 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 0.00 10 E 9.93 4.87 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 11 I 8.71 5.35 1.96 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 1.28 0.00 0.00 12 R 9.42 4.75 0.00 1.98 1.81 0.00 3.06 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 13 Y 7.55 4.40 0.00 2.96 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 14 T 7.37 4.37 4.26 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 1.30 0.00 0.00 15 R 7.71 4.33 0.00 1.83 1.83 0.00 3.39 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 16 E 8.44 3.95 0.00 1.95 1.96 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 2.29 2.42 0.00 17 G 7.53 4.21 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 0.00 0.00 0.00 18 V 7.43 3.90 2.20 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 1.12 0.00 0.00 0.95 0.00 0.00 19 R 7.57 3.52 0.00 1.83 1.94 0.00 3.21 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 20 Y 8.79 4.35 0.00 2.86 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 21 F 8.48 5.89 0.00 3.01 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.63 4.79 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 0.92 0.00 0.00 1.02 0.00 0.00 23 D 10.56 5.08 0.00 3.09 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 24 H 8.76 4.23 0.00 3.29 3.34 0.00 5.94 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.73 5.08 0.00 2.69 2.67 0.00 0.00 7.07 7.08 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 26 T 8.59 4.08 4.26 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 1.22 0.00 0.00 27 R 8.20 4.05 0.00 2.06 2.09 0.00 3.13 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 28 T 7.84 4.74 4.50 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 1.41 0.00 0.00 29 T 8.50 4.93 4.34 0.00 0.00 0.00 0.00 0.00 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 30 T 10.34 4.59 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 0.23 0.00 0.00 31 F 8.73 5.12 0.00 2.91 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 32 K 8.68 4.39 0.00 2.09 1.85 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.34 7.81 33 D 8.54 4.45 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.22 2.22 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 35 R 7.79 4.02 0.00 1.95 2.00 0.00 3.25 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 36 N 8.31 4.33 0.00 2.92 3.08 0.00 0.00 6.10 6.99 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 37 G 7.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.26 3.95 0.00 1.98 1.88 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 39 S 8.66 4.31 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00