NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0522 8.0544 120.3084 62.3143 32.9385 176.3917 2 S 4.5574 7.5276 113.3359 56.5884 61.5510 172.0644 3 I 4.7623 8.4043 123.2738 60.3323 39.8725 174.4810 4 T 4.7652 8.7139 123.3505 61.8732 72.4268 173.0942 5 K 4.7287 8.4656 121.9376 55.7514 34.5394 175.7566 6 C 4.5919 8.3780 119.2985 59.0172 30.7091 171.9352 7 S 4.8731 8.0925 113.9437 57.1019 64.3150 172.9266 8 S 4.2780 8.6317 112.7520 60.9297 62.3247 174.5080 9 D 4.8563 7.8542 118.3914 54.8379 41.2750 175.7721 10 M 4.6820 8.0352 113.7814 54.7318 33.8496 175.2974 11 N 4.7914 8.0410 117.7297 52.7920 37.6065 174.7581 12 G 4.2903 7.5313 109.7171 44.3029 0.0000 170.2896 13 Y 4.8350 7.7818 120.6942 58.0719 46.9211 173.5006 14 C 4.4182 7.9483 115.0658 56.2937 30.6521 173.1184 15 L 4.1054 7.9836 125.6155 56.3845 42.0427 176.9969 16 H 4.7249 7.3554 117.3194 52.5524 29.0000 174.0298 17 G 4.2560 7.1833 115.2025 46.0635 0.0000 169.8802 18 Q 4.6266 8.3864 120.6434 54.2854 33.4877 173.8865 19 C 4.9795 8.7859 123.4627 58.4590 33.0073 172.4197 20 I 4.9646 8.9910 120.5562 60.1224 41.3197 172.8433 21 Y 5.1808 8.5316 121.3687 56.6228 42.7354 174.7692 22 L 4.5335 7.7256 126.3290 53.7808 42.6710 178.1925 23 V 3.9655 8.3050 122.8432 63.5941 32.3361 177.1679 24 D 4.4717 7.9198 119.3775 56.5715 41.4571 176.1935 25 M 4.6406 7.3648 117.1216 54.7415 31.9090 174.5478 26 S 4.1107 7.0152 113.6946 57.6142 62.6564 173.9024 27 Q 4.5543 7.3043 126.4847 54.8274 32.5523 172.3331 28 N 4.6570 8.8797 123.9019 54.3165 39.5558 173.1239 29 Y 4.4305 8.6721 128.2829 56.4841 40.9249 174.1537 30 C 5.3664 7.9554 122.9305 57.8891 31.4336 173.5950 31 R 4.2735 8.8207 125.9712 56.0998 30.6213 176.2062 32 C 4.9395 8.6135 124.4274 58.8915 30.0535 172.6148 33 E 4.2382 8.6752 121.5109 55.6936 30.4527 175.9573 34 V 3.8527 8.5714 126.8175 65.6440 31.3058 174.1970 35 G 3.6765 8.7190 122.5160 45.8137 0.0000 172.3277 36 Y 4.1942 7.6129 118.4940 58.0719 38.6746 174.9804 37 T 4.5947 7.7063 113.5187 60.9692 67.8392 174.1958 38 G 4.2585 7.6250 106.4755 44.6729 0.0000 173.8598 39 V 4.1849 8.2785 118.9400 61.7186 31.9188 176.6111 40 R 3.9947 7.8560 117.6258 56.1417 31.2812 174.5318 41 C 3.6800 7.8349 105.4638 59.0126 27.5904 172.2135 42 E 4.4530 7.9945 125.9723 57.0353 33.1982 174.7293 43 H 4.9421 8.3823 114.4522 53.3590 30.1880 172.5441 44 F 3.7463 8.6753 127.5173 56.8073 38.6194 175.4996 45 F 4.1168 8.2372 131.5318 60.6517 39.6417 174.9783 46 L 2.9989 5.6200 121.3636 54.2810 41.1617 176.4553 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 4.05 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 2 S 7.53 4.56 0.00 3.95 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 3 I 8.40 4.76 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.04 0.89 0.00 0.00 4 T 8.71 4.77 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 1.13 0.00 0.00 5 K 8.47 4.73 0.00 1.64 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.47 7.81 6 C 8.38 4.59 0.00 2.89 2.93 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 7 S 8.09 4.87 0.00 3.80 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 S 8.63 4.28 0.00 3.87 3.87 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 0.00 0.00 0.00 9 D 7.85 4.86 0.00 2.65 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 10 M 8.04 4.68 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 11 N 8.04 4.79 0.00 2.73 2.73 0.00 0.00 6.83 7.99 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 12 G 7.53 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 0.00 0.00 0.00 0.00 13 Y 7.78 4.83 0.00 2.87 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.95 4.42 0.00 3.07 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 15 L 7.98 4.11 0.00 1.45 1.48 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.36 4.72 0.00 2.61 3.20 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.18 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 0.00 0.00 0.00 0.00 18 Q 8.39 4.63 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 19 C 8.79 4.98 0.00 3.03 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 20 I 8.99 4.96 1.90 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 1.44 0.84 0.96 0.00 0.00 21 Y 8.53 5.18 0.00 3.07 2.93 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 22 L 7.73 4.53 0.00 1.41 1.36 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.30 3.97 2.44 0.00 0.00 0.00 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 1.02 0.00 0.00 24 D 7.92 4.47 0.00 2.64 2.74 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 25 M 7.36 4.64 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 26 S 7.02 4.11 0.00 4.20 4.02 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 27 Q 7.30 4.55 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 28 N 8.88 4.66 0.00 2.78 2.72 0.00 0.00 6.92 7.59 0.00 0.00 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 Y 8.67 4.43 0.00 3.08 2.74 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 30 C 7.96 5.37 0.00 2.95 2.96 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 0.00 0.00 0.00 31 R 8.82 4.27 0.00 2.29 1.96 0.00 3.22 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 32 C 8.61 4.94 0.00 2.90 2.80 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 0.00 0.00 0.00 33 E 8.68 4.24 0.00 2.24 2.04 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 2.53 2.38 0.00 34 V 8.57 3.85 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 0.98 0.00 0.00 1.00 0.00 0.00 35 G 8.72 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 0.00 0.00 0.00 0.00 36 Y 7.61 4.19 0.00 3.24 2.96 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 0.00 0.00 0.00 37 T 7.71 4.59 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 1.30 0.00 0.00 38 G 7.63 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 0.00 0.00 0.00 0.00 39 V 8.28 4.18 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 0.75 0.00 0.00 0.95 0.00 0.00 40 R 7.86 3.99 0.00 1.47 1.63 0.00 2.92 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 41 C 7.83 3.68 0.00 2.82 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 42 E 7.99 4.45 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 43 H 8.38 4.94 0.00 3.47 3.48 0.00 5.70 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.68 3.75 0.00 2.55 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 45 F 8.24 4.12 0.00 2.88 2.91 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 46 L 5.62 3.00 0.00 0.27 0.86 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00