NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0397 8.0549 120.3909 62.8570 32.6146 174.4029 2 T 4.3278 8.4969 123.6117 59.8635 70.6372 171.9721 3 S 4.8714 8.9835 121.4213 56.5956 67.0682 172.4985 4 Y 4.8494 8.2748 117.7075 56.6632 41.7147 174.8639 5 T 4.8209 8.2161 111.1725 60.3007 72.0792 172.9746 6 L 4.5273 8.2173 122.6141 54.3930 44.9766 174.2729 7 S 4.6476 8.1806 118.2700 57.7706 65.6663 172.2401 8 D 4.4246 8.0433 118.9658 53.6527 43.6482 174.6177 9 V 4.0261 8.2165 122.3575 61.5193 32.0577 175.2129 10 V 4.3279 8.1489 126.4991 61.1632 33.8039 176.0230 11 S 4.4284 8.4118 123.6347 56.3659 60.9803 173.3372 12 L 3.9037 8.2353 126.8702 58.0055 41.8956 178.0019 13 K 3.9102 8.1031 116.6587 58.8126 32.1487 177.0643 14 D 4.7358 8.0555 117.0059 54.5355 41.3896 177.0058 15 V 4.2162 7.7556 111.9380 62.0425 33.6785 176.4121 16 V 4.3894 7.3413 110.2722 58.6901 33.7421 173.5991 17 P 4.6167 0.0000 0.0000 61.9585 32.0826 176.7112 18 E 4.0307 8.8675 118.9418 58.6100 29.4775 177.9266 19 W 4.7240 8.0151 116.5684 54.9395 31.4140 175.1016 20 V 4.6637 8.2183 113.9446 60.1566 35.4618 174.3389 21 R 4.7198 8.3680 118.7865 54.4363 33.0406 175.3643 22 I 4.4522 7.5995 113.6236 59.1588 40.2484 175.0897 23 G 3.7382 7.2681 107.6481 45.8492 0.0000 172.2912 24 F 4.9861 8.3503 116.8831 55.5600 42.0230 174.7639 25 S 4.7451 8.2559 115.9041 56.9900 66.1009 173.0693 26 A 4.4497 8.0122 121.6748 51.6177 21.5246 175.7190 27 T 4.7440 7.9648 110.5742 60.3608 72.0761 172.6745 28 T 4.9641 8.2070 110.8601 60.1920 73.1046 175.3562 29 G 4.2257 8.3874 112.7525 45.2794 0.0000 175.5373 30 A 4.1669 9.1188 127.7712 53.7952 18.5799 177.9337 31 E 4.6755 7.9700 114.5744 55.0575 31.8495 174.2608 32 Y 5.1570 6.7582 117.5163 56.1554 41.1125 173.3284 33 A 4.2826 8.0416 120.0257 51.7965 21.4391 175.4567 34 A 4.4752 8.4696 122.7975 51.4047 19.9441 176.9006 35 H 4.8914 8.6359 118.7132 53.9675 31.5265 173.2197 36 E 4.6755 8.4727 122.2905 54.4708 33.5152 174.7204 37 V 4.1886 8.0270 120.0569 61.1348 33.7731 175.4549 38 L 4.4139 8.3592 126.2278 56.3323 42.5706 176.6455 39 S 4.7543 7.6185 109.5733 57.5228 65.2333 173.8129 40 W 5.4523 8.4763 130.1862 56.6135 33.4342 173.8019 41 S 4.7133 8.7858 118.7686 56.8486 65.7413 172.8058 42 F 4.7881 8.1847 121.6079 57.5155 42.0177 173.1111 43 H 4.5888 7.1355 125.3191 54.6503 32.6312 172.6692 44 S 4.3995 7.9656 120.2396 56.2301 65.8055 173.1099 45 E 4.3463 8.3457 121.9056 54.5379 31.7637 174.0434 46 L 4.5773 8.4014 128.0007 53.2512 44.0613 175.9503 47 S 4.5803 8.5129 121.8960 57.5936 64.4184 174.4160 48 G 3.7281 8.3830 109.6939 45.8054 0.0000 173.6315 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 4.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 2 T 8.50 4.33 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 1.05 0.00 0.00 3 S 8.98 4.87 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 4.85 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.22 4.82 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 1.24 0.00 0.00 6 L 8.22 4.53 0.00 1.60 1.55 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.18 4.65 0.00 3.98 3.78 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 8 D 8.04 4.42 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.03 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 10 V 8.15 4.33 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 0.87 0.00 0.00 0.94 0.00 0.00 11 S 8.41 4.43 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.24 3.90 0.00 1.79 1.67 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.10 3.91 0.00 1.77 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.53 7.81 14 D 8.06 4.74 0.00 2.84 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 15 V 7.76 4.22 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 0.76 0.00 0.00 1.03 0.00 0.00 16 V 7.34 4.39 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 0.74 0.00 0.00 0.98 0.00 0.00 17 P 0.00 4.62 0.00 2.31 2.05 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 18 E 8.87 4.03 0.00 2.05 1.92 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 2.29 2.36 0.00 19 W 8.02 4.72 0.00 3.22 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.66 2.10 0.00 0.00 0.00 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 0.94 0.00 0.00 21 R 8.37 4.72 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 22 I 7.60 4.45 1.77 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.65 0.68 0.00 0.00 23 G 7.27 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.35 4.99 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.26 4.75 0.00 3.90 3.77 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 26 A 8.01 4.45 1.05 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 0.00 0.00 27 T 7.96 4.74 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 1.19 0.00 0.00 28 T 8.21 4.96 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 29 G 8.39 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 0.00 0.00 0.00 0.00 30 A 9.12 4.17 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 31 E 7.97 4.68 0.00 1.96 1.71 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 2.29 2.16 0.00 32 Y 6.76 5.16 0.00 3.03 2.92 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 0.00 33 A 8.04 4.28 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.48 1.23 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 0.00 0.00 35 H 8.64 4.89 0.00 3.03 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.47 4.68 0.00 1.83 1.73 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 2.17 2.24 0.00 37 V 8.03 4.19 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.11 0.00 0.00 38 L 8.36 4.41 0.00 1.64 1.71 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.62 4.75 0.00 4.03 3.85 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 40 W 8.48 5.45 0.00 3.38 3.19 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 0.00 0.00 0.00 0.00 41 S 8.79 4.71 0.00 3.96 3.81 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 42 F 8.18 4.79 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.14 4.59 0.00 2.91 2.91 0.00 5.92 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.97 4.40 0.00 3.91 3.69 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 45 E 8.35 4.35 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 46 L 8.40 4.58 0.00 1.46 1.40 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.51 4.58 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.38 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 0.00 0.00 0.00