NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4499 8.3049 120.3273 55.3894 34.2851 176.0478 2 Q 4.0441 7.6381 117.4394 53.5958 29.5785 176.3216 3 K 4.1049 8.9054 120.7421 60.2258 33.5007 179.2252 4 G 3.7256 8.1810 106.0203 47.2304 0.0000 174.9750 5 N 4.4489 8.2395 119.1014 56.3617 38.5485 176.7151 6 F 4.5560 8.4346 121.4213 60.4082 39.3316 176.5606 7 R 3.7308 8.3207 118.4796 58.7130 29.8134 177.2089 8 N 4.2838 8.2644 116.6643 56.3851 38.8084 175.9565 9 Q 4.2261 7.9852 121.0305 59.3798 28.7129 178.0610 10 R 3.9323 7.8190 119.0735 58.1966 30.2923 176.2548 11 K 4.5546 8.0877 118.1533 56.1200 33.2068 173.8823 12 T 3.4900 8.2448 120.7850 63.5908 68.9727 172.7068 13 V 4.3391 8.0731 125.8273 60.2242 35.0245 174.0750 14 K 4.7825 8.4370 121.2924 54.6705 34.3349 175.5621 15 C 4.3699 9.2230 130.5345 59.0373 32.2279 173.4978 16 F 4.6515 9.0868 121.0883 57.1080 37.7201 174.7186 17 N 4.2059 7.8060 117.4446 55.2701 40.4558 175.1913 18 C 4.3468 7.9030 110.9404 58.4398 30.7981 173.1469 19 G 4.0756 8.4288 107.3857 45.3233 0.0000 173.5332 20 K 3.8766 7.8469 119.9780 56.3772 32.5306 174.3190 21 E 5.0714 8.3914 117.9197 54.9997 32.2308 174.9234 22 G 4.1928 9.1238 108.8780 46.1479 0.0000 173.2455 23 H 5.0870 7.6518 112.5492 53.9172 32.0790 171.7469 24 I 4.6531 8.0836 111.2080 58.4376 40.2844 176.1018 25 A 4.0012 8.9773 124.5493 55.2059 18.1790 179.2435 26 K 3.9955 8.0406 113.9551 60.0888 32.9038 176.9697 27 N 4.9747 8.2213 116.2509 51.6276 37.4609 174.1683 28 C 4.2444 7.6655 118.3677 60.1306 32.8298 172.5072 29 R 4.2595 8.0880 121.1286 55.8492 29.2762 175.9882 30 A 4.0482 7.7762 122.1242 52.1058 18.5237 177.7183 31 P 4.6117 0.0000 0.0000 63.0078 30.7549 176.3243 32 R 4.6209 7.4864 113.4612 55.3724 32.1799 175.8470 33 K 4.1680 8.3585 120.5288 57.0106 33.2154 176.8107 34 K 4.2578 7.6773 115.1825 56.3108 34.9761 173.6250 35 G 4.6299 8.5013 110.8905 44.6534 0.0000 172.0707 36 C 4.4860 8.9699 123.2074 58.5249 31.9833 173.4911 37 W 4.6465 9.1363 123.2227 56.4033 28.1861 176.7284 38 K 3.4024 7.8620 121.1876 57.5133 32.6412 176.5168 39 C 4.3861 7.7948 111.3482 59.9991 31.0055 174.6700 40 G 4.1644 7.8319 108.7000 45.2174 0.0000 173.2677 41 K 4.4979 8.1562 119.8927 53.7623 33.6287 176.0476 42 E 4.3268 8.5543 122.3542 56.8468 30.3890 175.9302 43 G 4.1791 8.8077 109.1075 45.8968 0.0000 172.9297 44 H 5.0378 7.9812 113.3571 53.6371 31.8703 171.3012 45 Q 4.9562 8.1700 115.5627 54.1495 31.9807 175.7239 46 M 4.0280 9.0043 117.1980 58.7635 32.1356 178.1008 47 K 4.3013 8.5772 117.2128 58.5087 32.3981 176.0716 48 D 4.9671 8.1347 118.0090 54.0637 41.7180 175.1741 49 C 4.5287 8.3893 117.6407 58.9591 32.1185 173.4280 50 T 4.1342 8.3515 114.5441 62.9470 69.6968 174.9598 51 E 4.5557 7.8913 122.8672 55.0416 29.1065 177.7107 52 R 4.2238 7.4773 120.9585 56.3653 29.4288 175.2764 53 Q 3.1320 7.8365 124.1685 56.8116 27.9686 175.4620 54 A 4.5953 7.7200 119.3294 51.3310 21.4364 176.2230 55 N 4.4936 8.7721 120.5751 53.8619 39.0506 174.5769 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 M 8.30 4.45 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 Q 7.64 4.04 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 3 K 8.91 4.10 0.00 2.02 2.08 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 4 G 8.18 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 5 N 8.24 4.45 0.00 3.00 2.93 0.00 0.00 6.47 7.69 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 6 F 8.43 4.56 0.00 2.99 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 7 R 8.32 3.73 0.00 1.92 1.88 0.00 3.11 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 8 N 8.26 4.28 0.00 3.05 2.84 0.00 0.00 6.88 6.71 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 9 Q 7.99 4.23 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 10 R 7.82 3.93 0.00 1.89 1.92 0.00 3.22 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 11 K 8.09 4.55 0.00 1.66 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.51 7.81 12 T 8.24 3.49 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 V 8.07 4.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.25 0.00 0.00 14 K 8.44 4.78 0.00 1.79 1.79 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.43 7.81 15 C 9.22 4.37 0.00 3.01 2.81 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 16 F 9.09 4.65 0.00 3.21 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 17 N 7.81 4.21 0.00 1.88 2.51 0.00 0.00 6.96 7.51 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 18 C 7.90 4.35 0.00 3.14 3.05 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 19 G 8.43 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.85 3.88 0.00 1.85 1.72 0.00 1.56 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.54 7.81 21 E 8.39 5.07 0.00 2.23 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 22 G 9.12 4.19 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 0.00 23 H 7.65 5.09 0.00 3.26 3.30 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.08 4.65 1.86 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 1.08 0.00 0.00 25 A 8.98 4.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.00 0.00 1.82 1.93 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 27 N 8.22 4.97 0.00 2.76 2.84 0.00 0.00 7.17 7.81 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 28 C 7.67 4.24 0.00 2.96 2.82 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 29 R 8.09 4.26 0.00 1.90 1.87 0.00 3.08 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 30 A 7.78 4.05 1.26 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 31 P 0.00 4.61 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 32 R 7.49 4.62 0.00 1.91 1.93 0.00 3.01 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 33 K 8.36 4.17 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 34 K 7.68 4.26 0.00 1.81 1.85 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.39 7.81 35 G 8.50 4.63 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 0.00 0.00 0.00 36 C 8.97 4.49 0.00 2.30 2.75 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 37 W 9.14 4.65 0.00 3.36 3.12 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 0.00 0.00 0.00 38 K 7.86 3.40 0.00 1.28 1.69 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.03 1.01 7.81 39 C 7.79 4.39 0.00 3.08 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 40 G 7.83 4.16 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 0.00 0.00 0.00 41 K 8.16 4.50 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 42 E 8.55 4.33 0.00 2.08 1.97 0.00 0.00 0.00 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 2.26 0.00 43 G 8.81 4.18 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 0.00 0.00 0.00 44 H 7.98 5.04 0.00 3.29 3.41 0.00 5.40 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.17 4.96 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.51 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 46 M 9.00 4.03 0.00 2.42 2.52 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 47 K 8.58 4.30 0.00 2.00 1.88 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 48 D 8.13 4.97 0.00 2.65 2.75 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 49 C 8.39 4.53 0.00 3.07 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 50 T 8.35 4.13 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 51 E 7.89 4.56 0.00 1.91 1.88 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 2.18 2.24 0.00 52 R 7.48 4.22 0.00 1.81 1.84 0.00 3.46 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 53 Q 7.84 3.13 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 54 A 7.72 4.60 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 55 N 8.77 4.49 0.00 2.67 2.69 0.00 0.00 7.08 7.56 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