NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8356 8.0501 120.3770 62.2281 33.0064 175.0569 2 A 3.8414 7.6830 128.6583 49.9610 18.9500 176.7632 3 Y 4.1942 8.6732 120.6139 59.8387 39.0705 176.6121 4 W 4.1662 6.6139 117.2290 58.4491 28.4994 175.3941 5 R 4.6871 6.3172 120.4252 54.4838 27.0560 174.1018 6 Q 4.1520 8.2379 119.9996 55.1439 33.3984 174.3678 7 A 4.3572 7.8887 130.5387 51.1723 19.6916 177.7973 8 G 3.9502 8.5702 113.8723 45.8803 0.0000 170.9573 9 L 5.0803 8.1929 118.4141 52.1880 45.9895 176.4690 10 S 4.6783 8.3786 113.6069 58.1511 64.4914 173.9317 11 Y 3.7959 8.7110 124.8112 60.0034 38.5903 177.7366 12 I 3.6463 7.7618 121.0603 64.3977 37.1850 178.1916 13 R 3.8504 7.8425 119.1848 59.1291 29.9747 177.4943 14 Y 3.4451 7.1599 119.5534 60.7063 38.5632 178.2408 15 S 3.7967 7.6664 113.9147 61.1688 62.2836 175.9298 16 Q 3.8420 7.8449 122.3585 59.1433 28.8363 178.3998 17 I 3.6228 7.5367 120.8115 64.4853 36.9730 178.2651 18 C 3.9327 7.7892 117.3741 62.5990 27.8300 176.0280 19 A 3.9240 8.1529 122.8099 54.9860 17.9154 179.6444 20 K 3.8929 7.8154 118.1284 59.3968 32.0365 178.9889 21 A 3.9775 7.6902 120.2003 54.5986 18.6181 179.5420 22 V 3.6751 7.4697 117.3250 66.0969 31.4213 178.4315 23 R 3.9310 7.5057 116.3150 59.3751 30.0852 178.3519 24 D 4.5276 8.1561 115.5071 55.4111 40.8785 176.3472 25 A 4.3161 7.5610 127.4877 52.1314 19.2225 176.0297 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 V 8.05 3.84 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 0.78 0.00 0.00 0.85 0.00 0.00 2 A 7.68 3.84 0.37 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 0.00 0.00 3 Y 8.67 4.19 0.00 3.12 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.61 4.17 0.00 3.46 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 5 R 6.32 4.69 0.00 0.84 1.37 0.00 2.98 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 6 Q 8.24 4.15 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 7 A 7.89 4.36 1.29 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 0.00 0.00 0.00 8 G 8.57 3.95 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 0.00 0.00 0.00 9 L 8.19 5.08 0.00 1.93 1.69 1.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.38 4.68 0.00 3.98 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 11 Y 8.71 3.80 0.00 3.31 3.02 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 12 I 7.76 3.65 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.90 0.00 0.00 13 R 7.84 3.85 0.00 1.90 2.03 0.00 3.19 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 14 Y 7.16 3.45 0.00 1.79 2.05 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 15 S 7.67 3.80 0.00 3.41 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 3.84 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 17 I 7.54 3.62 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.75 0.00 0.00 18 C 7.79 3.93 0.00 2.67 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 19 A 8.15 3.92 1.27 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 0.00 0.00 0.00 20 K 7.82 3.89 0.00 1.86 1.86 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.41 7.81 21 A 7.69 3.98 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 22 V 7.47 3.68 2.19 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 1.00 0.00 0.00 0.97 0.00 0.00 23 R 7.51 3.93 0.00 1.93 1.96 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 24 D 8.16 4.53 0.00 2.67 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 25 A 7.56 4.32 1.24 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 0.00 0.00 0.00