NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8037 8.4331 117.8518 55.1517 31.6393 173.1368 2 G 4.0353 8.1223 106.3962 44.3823 0.0000 169.7158 3 E 4.6122 8.7506 118.0370 54.5892 33.6309 173.6557 4 G 4.4583 7.8987 106.6098 46.0593 0.0000 174.5897 5 T 4.3237 7.9361 123.7493 62.9781 68.0776 175.4341 6 F 4.8000 7.1988 118.5926 58.5431 39.9515 177.8631 7 T 3.6361 6.4571 115.6292 66.2485 67.8385 176.0836 8 S 3.9946 7.8143 114.5725 61.5920 62.3695 175.6642 9 D 4.3887 8.0042 120.0434 56.9079 41.1130 177.6797 10 L 3.9667 8.3334 121.4960 58.1048 42.1565 178.8242 11 S 4.0996 8.2945 113.2377 61.3880 62.2916 176.4487 12 K 4.0323 7.5941 120.9649 59.6067 31.8499 179.2535 13 Q 4.0362 8.3333 118.5292 59.3324 28.1112 178.9951 14 M 4.0712 8.1484 119.5077 58.6180 31.5233 178.7198 15 E 4.0106 7.8108 117.8012 59.4179 29.5547 179.2767 16 E 4.0221 8.1705 118.7676 59.2721 29.6167 178.9319 17 E 3.9471 8.4336 119.2564 59.2600 29.7006 178.7148 18 A 4.0442 7.7652 120.1404 55.1227 18.3691 179.7746 19 V 3.6925 7.5803 116.0194 66.2161 31.5666 178.4207 20 R 3.9902 7.8983 117.4361 59.3222 29.9244 179.0424 21 L 4.0393 7.8954 118.2587 57.8277 41.6652 179.3559 22 F 4.4170 8.4890 120.5779 61.3893 39.3545 177.1938 23 I 3.5043 8.3656 119.8961 64.3720 37.0494 178.0268 24 E 3.9348 8.4282 120.2353 58.9808 29.3692 178.6380 25 W 4.2032 8.4150 128.5255 60.4997 30.6349 178.0365 26 L 3.3822 7.8361 118.9086 57.2544 40.7054 179.6051 27 K 3.9190 7.5269 118.2425 59.1367 32.0896 178.6051 28 N 4.5142 7.6571 115.1022 54.2613 37.5286 174.6439 29 G 3.2791 8.1126 115.1803 44.1341 0.0000 175.5789 30 G 2.0321 7.1638 110.4431 45.0843 0.0000 175.0381 31 P 4.3816 0.0000 0.0000 64.9871 31.4765 176.7056 32 S 4.7079 6.9862 111.5325 58.6212 63.3116 174.7132 33 S 4.4251 8.4221 115.6295 60.3977 64.6162 172.9583 34 G 3.6600 8.2091 110.9224 45.4535 0.0000 173.8532 35 A 4.6493 7.7214 122.2035 49.6030 20.4339 174.9487 36 P 4.6030 0.0000 0.0000 61.3955 32.2752 174.4992 37 P 2.0000 0.0000 0.0000 61.0487 31.5220 175.3988 38 P 4.3590 0.0000 0.0000 62.3110 29.8345 176.4273 39 S 4.2010 7.9861 120.9193 59.0631 63.4533 174.2590 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 4.80 0.00 3.17 3.43 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 G 8.12 4.04 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 0.00 0.00 0.00 3 E 8.75 4.61 0.00 1.95 1.87 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 2.24 2.30 0.00 4 G 7.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.32 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 1.19 0.00 0.00 6 F 7.20 4.80 0.00 3.21 3.26 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 7 T 6.46 3.64 3.92 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 1.07 0.00 0.00 8 S 7.81 3.99 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.00 4.39 0.00 2.78 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 10 L 8.33 3.97 0.00 2.08 1.70 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.29 4.10 0.00 4.08 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.59 4.03 0.00 1.87 1.98 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 13 Q 8.33 4.04 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 14 M 8.15 4.07 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 15 E 7.81 4.01 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 16 E 8.17 4.02 0.00 2.26 2.02 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 2.35 2.38 0.00 17 E 8.43 3.95 0.00 2.20 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 0.00 2.32 2.39 0.00 18 A 7.77 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.58 3.69 2.29 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 1.12 0.00 0.00 1.00 0.00 0.00 20 R 7.90 3.99 0.00 2.24 2.01 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 21 L 7.90 4.04 0.00 1.98 1.78 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.49 4.42 0.00 3.12 3.31 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 0.00 23 I 8.37 3.50 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.90 0.00 0.00 24 E 8.43 3.93 0.00 2.17 2.16 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 2.34 2.33 0.00 25 W 8.42 4.20 0.00 3.48 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 26 L 7.84 3.38 0.00 1.58 1.40 0.46 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.53 3.92 0.00 1.93 1.81 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.38 7.81 28 N 7.66 4.51 0.00 2.84 2.90 0.00 0.00 7.09 6.68 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 29 G 8.11 3.28 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 0.00 0.00 0.00 30 G 7.16 2.03 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 31 P 0.00 4.38 0.00 2.08 2.29 0.00 3.39 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 32 S 6.99 4.71 0.00 3.97 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 33 S 8.42 4.43 0.00 3.58 3.86 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 0.00 0.00 0.00 34 G 8.21 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 35 A 7.72 4.65 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 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.60 0.00 2.09 2.06 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 37 P 0.00 2.00 0.00 1.53 0.49 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 38 P 0.00 4.36 0.00 2.20 2.10 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 39 S 7.99 4.20 0.00 3.69 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00