NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3033 8.1127 119.7054 56.0732 31.6016 173.6153 5 E 4.6314 8.1933 119.1674 53.2393 32.4015 173.4863 6 C 4.2868 9.6692 127.5283 59.3793 32.7024 173.6220 7 D 4.4658 8.6139 127.1640 55.9686 39.8843 175.7929 8 Y 4.3526 6.7917 119.2365 58.9139 40.8421 176.2627 9 C 3.9503 8.2696 113.8984 60.2826 30.6776 175.7117 10 G 4.0267 8.4155 106.0442 44.7299 0.0000 173.2230 11 T 4.3994 7.7020 110.1188 60.8270 71.0823 173.4778 12 D 4.9312 8.4818 122.5396 54.0246 41.5635 176.4082 13 I 3.9748 8.0615 125.9181 60.6712 37.6912 175.9332 14 E 3.9847 8.9246 129.0457 55.2518 29.9805 174.6470 15 P 4.2722 0.0000 0.0000 64.3434 31.7220 176.0802 16 G 3.8823 9.8372 108.3144 46.4134 0.0000 172.9755 17 T 4.5336 7.7035 113.5768 62.4271 72.5845 174.1877 18 G 4.1399 9.2082 108.2700 45.6733 0.0000 172.6814 19 T 4.7996 8.3894 113.5754 61.7312 72.8053 173.1079 20 M 5.0504 8.7659 124.3781 53.8842 34.2490 174.4058 21 F 4.8094 9.4920 130.0332 57.0947 41.3607 174.4108 22 V 4.3801 7.5462 126.2540 61.3028 32.3756 175.1935 23 H 4.1800 8.8931 126.2132 54.8548 29.5599 176.7731 24 K 3.8854 8.6917 121.9454 59.7444 31.9394 177.8307 25 D 4.3943 7.9619 116.2395 54.3194 39.5404 176.4706 26 G 3.9051 7.7194 105.8942 44.9984 0.0000 174.1639 27 A 4.1986 8.7053 122.9228 52.4717 19.6544 176.5706 28 T 5.0165 8.4208 116.4774 62.0359 71.6863 173.9115 29 T 4.6007 8.9913 122.2647 62.0718 72.1254 172.6991 30 H 4.9903 9.5710 125.4956 55.0972 30.3174 174.7274 31 F 5.3906 9.4765 122.5835 55.9145 41.4662 176.6238 32 C 4.3058 9.1716 117.3040 60.5897 30.5647 173.6277 33 S 4.6676 7.6562 113.6664 55.9935 66.9508 174.5423 34 S 4.2514 8.4954 115.7168 61.1539 62.8461 176.0639 35 K 3.7942 7.9593 122.8865 59.7442 31.8828 178.4138 36 C 4.2770 7.7743 116.2349 62.5839 28.1452 175.9923 37 E 2.5582 7.2743 119.3285 59.0596 28.7355 179.1737 38 N 4.2543 7.7597 115.2032 56.0843 38.4834 176.9980 39 N 4.5408 7.9388 117.4531 55.9825 38.8016 177.3507 40 A 4.1305 7.4241 122.0210 55.0546 18.2500 179.2250 41 D 4.3836 7.7039 115.8999 56.4423 40.9870 177.8172 42 L 4.3869 7.3009 117.5803 54.3913 41.9757 177.6365 43 G 3.9945 7.8092 107.1398 45.3641 0.0000 174.2075 44 R 4.1778 7.7740 118.7230 55.8472 31.0506 175.6060 45 E 4.4820 8.6318 121.4801 54.6001 31.2105 176.6699 46 A 3.3050 8.3463 127.0785 55.2515 18.2156 179.3380 47 R 4.0254 7.6435 108.7105 57.6931 29.6721 176.7430 48 N 4.5517 7.9381 115.4927 53.5773 39.3753 174.6906 49 L 4.5853 7.2301 119.4996 52.5774 42.8651 177.3152 50 E 3.9553 8.9028 124.2359 58.9395 29.6347 178.5253 51 W 4.4142 7.9448 114.6678 58.8416 29.1013 176.8643 52 T 3.7523 6.7185 117.3611 62.9459 68.1903 175.3861 53 D 4.4363 8.5772 125.5727 57.4879 41.3149 178.2654 54 T 3.8730 7.6766 115.4258 66.5816 68.5915 175.8357 55 A 3.9845 7.8308 122.6629 54.9046 18.6813 177.3352 56 R 4.1446 7.5957 115.1290 56.3458 29.7530 176.1971 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 4 R 8.11 4.30 0.00 1.88 1.89 0.00 2.95 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 5 E 8.19 4.63 0.00 1.94 1.75 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 2.17 2.52 0.00 6 C 9.67 4.29 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.61 4.47 0.00 2.64 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 8 Y 6.79 4.35 0.00 2.95 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 9 C 8.27 3.95 0.00 3.08 3.35 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 10 G 8.42 4.03 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 11 T 7.70 4.40 4.30 0.00 0.00 0.00 0.00 0.00 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 12 D 8.48 4.93 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.06 3.97 1.91 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 1.19 0.57 0.97 0.00 0.00 14 E 8.92 3.98 0.00 1.93 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 2.31 2.38 0.00 15 P 0.00 4.27 0.00 2.23 2.06 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 16 G 9.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.70 4.53 4.56 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 1.25 0.00 0.00 18 G 9.21 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.39 4.80 4.36 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 1.30 0.00 0.00 20 M 8.77 5.05 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.35 0.00 21 F 9.49 4.81 0.00 3.36 3.16 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 0.00 0.00 0.00 22 V 7.55 4.38 1.85 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 0.74 0.00 0.00 0.83 0.00 0.00 23 H 8.89 4.18 0.00 3.33 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.69 3.89 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.96 4.39 0.00 2.82 2.79 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 26 G 7.72 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 27 A 8.71 4.20 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.42 5.02 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 1.20 0.00 0.00 29 T 8.99 4.60 4.29 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 0.61 0.00 0.00 30 H 9.57 4.99 0.00 3.18 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.48 5.39 0.00 3.13 2.86 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 32 C 9.17 4.31 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.67 0.00 4.02 4.03 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 34 S 8.50 4.25 0.00 3.97 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 0.00 35 K 7.96 3.79 0.00 1.74 1.81 0.00 1.35 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.35 1.33 7.81 36 C 7.77 4.28 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.27 2.56 0.00 1.85 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.98 0.00 38 N 7.76 4.25 0.00 2.58 2.78 0.00 0.00 7.13 7.54 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 39 N 7.94 4.54 0.00 2.87 3.12 0.00 0.00 6.80 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.42 4.13 1.19 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 0.00 0.00 41 D 7.70 4.38 0.00 2.70 2.64 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 42 L 7.30 4.39 0.00 1.85 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.81 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.77 4.18 0.00 2.16 2.00 0.00 3.32 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 45 E 8.63 4.48 0.00 1.98 1.80 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 2.36 2.31 0.00 46 A 8.35 3.30 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.64 4.03 0.00 1.83 1.94 0.00 2.96 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 48 N 7.94 4.55 0.00 2.83 2.88 0.00 0.00 6.84 7.38 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 49 L 7.23 4.59 0.00 1.13 1.17 1.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.90 3.96 0.00 2.03 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 0.00 2.32 2.32 0.00 51 W 7.94 4.41 0.00 3.54 3.20 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 0.00 0.00 0.00 0.00 52 T 6.72 3.75 3.68 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 0.96 0.00 0.00 53 D 8.58 4.44 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.68 3.87 4.03 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 1.09 0.00 0.00 55 A 7.83 3.98 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 56 R 7.60 4.14 0.00 1.96 1.90 0.00 3.12 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 1.80 1.63 0.00