NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5131 8.3049 120.3329 55.1452 33.4430 174.7367 2 K 4.3483 8.4775 121.6342 54.6305 34.0414 174.9714 3 K 4.6319 9.0697 121.9582 56.5518 34.7131 175.1810 4 Y 4.8883 8.9460 120.6919 56.3793 41.5357 174.4532 5 T 5.0180 8.6644 117.8826 60.0631 70.6252 172.6620 6 C 3.3691 8.8399 129.7879 59.2045 32.0157 174.1266 7 T 4.0745 8.5193 116.8584 62.8112 69.0521 175.7939 8 V 3.8796 7.6413 122.1267 64.8305 31.9609 176.0229 9 C 4.5745 7.9141 109.9578 57.1664 30.9891 174.3089 10 A 3.8375 8.3935 122.7438 51.7779 16.9307 177.3615 11 Y 4.3603 7.8049 117.7838 58.5941 40.0734 175.0140 12 I 4.7586 7.4447 125.0635 59.4976 39.8200 174.3098 13 Y 4.3791 9.3892 129.4434 56.9152 40.1466 173.3847 14 N 4.7906 7.9524 126.1196 50.9056 40.5338 173.6074 15 P 4.1268 0.0000 0.0000 65.5724 31.7957 178.4144 16 E 3.8417 8.2842 118.3550 58.9725 29.4652 177.6646 17 D 4.4797 7.9359 116.8394 53.8483 42.2469 178.1582 18 G 4.0153 7.8387 107.3119 45.4278 0.0000 173.2991 19 D 4.9868 8.6859 112.3863 52.2759 41.8471 175.2171 20 P 4.4478 0.0000 0.0000 65.8108 32.0288 179.2893 21 D 4.4390 8.2928 117.6630 56.5785 40.8502 176.6063 22 N 4.8562 8.4042 114.6043 52.9786 38.8607 175.4280 23 G 3.7957 8.3804 105.5078 45.5070 0.0000 174.2556 24 V 4.0555 7.6808 120.4064 60.7326 31.4820 175.1846 25 N 4.8506 8.3203 125.0111 51.8833 39.3112 173.2346 26 P 4.1412 0.0000 0.0000 64.8437 31.7260 177.0080 27 G 3.9215 9.5481 111.0073 45.4406 0.0000 173.2697 28 T 4.2428 7.2936 117.3285 62.0465 69.1827 174.4801 29 D 4.5597 8.4927 126.4083 53.8185 42.3968 176.4312 30 F 3.3894 9.0283 127.6413 60.9296 39.3726 177.4005 31 K 3.7606 7.8484 118.1218 59.7400 32.2098 177.4314 32 D 4.4314 7.6577 116.9032 54.6494 41.2022 176.8341 33 I 3.4125 6.6127 121.1742 60.0846 37.6144 174.2109 34 P 4.1344 0.0000 0.0000 63.3366 31.5426 176.7443 35 D 4.5305 8.6289 120.7385 55.5714 40.7783 176.3984 36 D 4.7663 7.7706 117.8273 52.5152 39.9996 176.4030 37 W 4.2503 8.0783 130.3147 57.5967 31.2356 175.4605 38 V 4.2757 6.8362 116.2503 58.6972 34.8156 175.1179 39 C 3.6024 8.5603 122.5392 58.9503 31.7490 173.3404 40 P 4.0395 0.0000 0.0000 65.1298 31.4423 177.5235 41 L 4.2032 7.5403 118.2208 56.4360 42.0436 177.0458 42 C 4.5396 7.8083 109.0409 57.0827 30.7881 174.6860 43 G 3.7770 8.1999 108.5920 45.7772 0.0000 174.2502 44 V 3.9241 7.2908 113.1039 60.2179 32.8573 175.9611 45 G 4.2032 8.2965 110.8331 44.7072 0.0000 174.9361 46 K 4.2824 8.6785 118.0518 59.2432 32.0364 178.8661 47 D 4.7213 8.2743 116.2285 54.9288 39.6853 176.5286 48 Q 4.5387 8.4771 118.9251 56.0151 29.1268 174.7889 49 F 5.2197 8.4048 117.2243 56.4071 40.9296 175.2077 50 E 4.8662 8.9137 119.6403 54.1836 33.9736 174.7935 51 E 2.6940 8.6341 123.6987 56.4836 30.3549 177.2441 52 V 3.8917 8.1389 127.8420 61.6979 30.7725 174.0431 53 E 4.2351 8.3153 127.1670 54.8321 30.6692 176.1753 54 E 4.2474 8.5373 122.5566 56.4627 29.7893 175.5422 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 4.51 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 2 K 8.48 4.35 0.00 1.88 1.62 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.55 7.81 3 K 9.07 4.63 0.00 1.67 1.70 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.45 7.81 4 Y 8.95 4.89 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 5.02 4.20 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 1.15 0.00 0.00 6 C 8.84 3.37 0.00 2.37 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 4.07 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 1.21 0.00 0.00 8 V 7.64 3.88 2.03 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 0.83 0.00 0.00 0.91 0.00 0.00 9 C 7.91 4.57 0.00 3.08 2.97 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 0.00 0.00 0.00 10 A 8.39 3.84 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.36 0.00 3.15 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 12 I 7.44 4.76 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.82 0.00 0.00 13 Y 9.39 4.38 0.00 3.56 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 14 N 7.95 4.79 0.00 2.63 2.55 0.00 0.00 6.92 7.71 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 15 P 0.00 4.13 0.00 2.29 2.56 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.26 0.00 16 E 8.28 3.84 0.00 2.13 2.02 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 2.32 2.25 0.00 17 D 7.94 4.48 0.00 2.57 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 0.00 0.00 0.00 19 D 8.69 4.99 0.00 3.15 2.78 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 20 P 0.00 4.45 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.29 4.44 0.00 2.75 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 22 N 8.40 4.86 0.00 3.14 2.98 0.00 0.00 7.03 7.65 0.00 0.00 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 G 8.38 3.80 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 0.00 0.00 0.00 24 V 7.68 4.06 2.26 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 0.90 0.00 0.00 0.58 0.00 0.00 25 N 8.32 4.85 0.00 2.87 2.72 0.00 0.00 7.03 8.03 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 26 P 0.00 4.14 0.00 2.03 2.22 0.00 3.67 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 2.04 2.12 0.00 27 G 9.55 3.92 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 0.00 0.00 0.00 28 T 7.29 4.24 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 1.05 0.00 0.00 29 D 8.49 4.56 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.03 3.39 0.00 2.55 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 0.00 0.00 0.00 0.00 31 K 7.85 3.76 0.00 1.87 1.92 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.35 7.81 32 D 7.66 4.43 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 33 I 6.61 3.41 0.95 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.15 -0.09 0.00 0.00 34 P 0.00 4.13 0.00 2.24 1.95 0.00 3.37 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 35 D 8.63 4.53 0.00 2.62 2.68 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 36 D 7.77 4.77 0.00 2.77 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 8.08 4.25 0.00 3.13 3.03 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 38 V 6.84 4.28 1.95 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 0.70 0.00 0.00 0.63 0.00 0.00 39 C 8.56 3.60 0.00 3.17 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 40 P 0.00 4.04 0.00 2.03 2.05 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.13 0.00 41 L 7.54 4.20 0.00 1.62 1.74 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.81 4.54 0.00 3.01 2.97 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 0.00 0.00 0.00 43 G 8.20 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 0.00 0.00 0.00 44 V 7.29 3.92 2.13 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 0.69 0.00 0.00 0.99 0.00 0.00 45 G 8.30 4.20 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 0.00 46 K 8.68 4.28 0.00 1.88 1.96 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.70 7.81 47 D 8.27 4.72 0.00 2.87 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 48 Q 8.48 4.54 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 49 F 8.40 5.22 0.00 3.26 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 50 E 8.91 4.87 0.00 1.85 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 2.26 2.27 0.00 51 E 8.63 2.69 0.00 1.70 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 1.89 1.49 0.00 52 V 8.14 3.89 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 0.70 0.00 0.00 0.82 0.00 0.00 53 E 8.32 4.24 0.00 1.87 1.78 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 2.23 2.30 0.00 54 E 8.54 4.25 0.00 2.02 1.81 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 2.12 2.28 0.00