NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5136 8.3049 120.3323 55.0724 33.4515 174.7788 2 K 4.2556 8.4649 121.3894 54.9550 33.5810 175.4541 3 K 4.6530 9.1265 122.3838 56.7947 34.5725 175.1936 4 Y 4.9830 8.8988 119.2588 56.4381 42.0081 174.4714 5 T 5.0743 8.6931 117.0280 60.0922 70.9944 172.5954 6 C 3.3849 8.8180 129.5520 59.2267 32.0948 173.9297 7 T 4.1974 8.3496 116.4321 62.3404 69.1122 175.8657 8 V 3.8725 7.6702 122.3296 65.1339 31.9681 176.1805 9 C 4.5755 8.1357 110.8382 57.4768 31.1947 174.6192 10 G 3.9609 8.3221 108.2579 44.5861 0.0000 173.0834 11 Y 4.2833 7.9711 121.0306 58.5138 39.9472 174.8833 12 I 4.7017 7.5191 125.8885 59.5697 38.8802 174.4317 13 Y 4.3238 9.2169 130.0923 57.1031 40.1575 173.4962 14 N 4.9269 8.0013 126.1588 50.9106 40.5081 173.2702 15 P 4.1227 0.0000 0.0000 65.6225 31.5473 178.4739 16 E 4.0066 8.2862 118.0360 58.6927 29.5066 177.5123 17 D 4.5004 7.9193 117.5645 53.6766 42.1880 178.2626 18 G 3.9738 7.8408 106.7617 45.3347 0.0000 172.9091 19 D 4.9921 8.6415 112.3137 52.2164 41.7590 175.2644 20 P 4.4472 0.0000 0.0000 65.8415 31.9604 179.1035 21 D 4.4967 8.2048 117.1613 56.2335 40.9226 176.4584 22 N 4.8613 8.3313 115.7040 52.9347 38.8108 175.4977 23 G 3.7961 8.4067 105.5211 45.5198 0.0000 174.1591 24 V 4.0820 7.4582 119.8397 60.7247 31.7644 174.9604 25 N 4.8683 8.3401 125.0508 51.8735 39.3463 173.2755 26 P 4.1830 0.0000 0.0000 64.6723 31.7797 177.0661 27 G 3.9011 9.4070 110.2086 45.6442 0.0000 173.3656 28 T 4.2235 7.3771 117.3062 62.1328 69.1560 174.5138 29 D 4.5800 8.4910 126.3108 53.7746 42.3820 176.3837 30 F 3.4243 9.0240 127.2466 60.9645 39.3145 177.4917 31 K 3.7611 7.9166 118.0293 59.6540 32.2426 177.1496 32 D 4.4646 7.5935 116.7102 54.2747 41.2286 176.8136 33 I 3.3752 6.6364 121.3531 60.1947 37.5995 174.2679 34 P 4.1694 0.0000 0.0000 63.2363 31.5801 176.7130 35 D 4.5507 8.5730 120.5735 55.4103 40.8038 176.5042 36 D 4.6932 7.7767 117.9432 52.7371 40.2022 176.6068 37 W 4.2596 8.0423 130.4788 57.6561 31.2418 175.2264 38 V 4.3232 6.8639 115.6732 58.7138 35.0457 175.1400 39 C 3.5764 8.4524 122.4175 59.0870 31.6056 173.2562 40 P 4.1078 0.0000 0.0000 64.7455 31.4068 177.1925 41 L 4.2939 7.5405 118.2660 56.1049 42.3755 176.9318 42 C 4.5097 7.9732 109.4350 57.2935 30.9492 174.7226 43 G 3.8117 8.1110 108.6619 45.3959 0.0000 174.1821 44 V 3.8950 7.3256 113.0696 60.3384 32.6906 175.8829 45 G 4.1891 8.3391 110.5691 45.0069 0.0000 174.9246 46 K 4.2665 8.7784 118.6913 59.4078 32.0781 178.9787 47 D 4.6798 8.2670 116.2637 55.2032 39.5965 176.5621 48 Q 4.4747 8.5963 119.1009 56.1836 29.1495 175.0723 49 F 5.2218 8.4287 117.3692 56.7289 40.6805 175.1311 50 E 4.8720 8.9665 119.3058 54.3553 34.0312 174.8042 51 E 2.7354 8.5803 123.6827 55.9428 30.6144 176.3490 52 V 3.9572 7.9221 127.2361 61.2631 32.1527 175.7274 53 E 4.0808 8.5292 126.7872 56.6760 29.3705 177.0326 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 2.62 0.00 2 K 8.46 4.26 0.00 1.95 1.64 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.50 7.81 3 K 9.13 4.65 0.00 1.68 1.72 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.45 7.81 4 Y 8.90 4.98 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 5.07 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 1.15 0.00 0.00 6 C 8.82 3.38 0.00 2.42 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 7 T 8.35 4.20 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 1.24 0.00 0.00 8 V 7.67 3.87 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 0.91 0.00 0.00 0.91 0.00 0.00 9 C 8.14 4.58 0.00 3.09 2.99 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 10 G 8.32 3.96 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 0.00 0.00 0.00 11 Y 7.97 4.28 0.00 3.15 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 12 I 7.52 4.70 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.82 0.00 0.00 13 Y 9.22 4.32 0.00 3.60 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 8.00 4.93 0.00 2.63 2.58 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 4.12 0.00 2.29 2.55 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 16 E 8.29 4.01 0.00 2.05 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 7.92 4.50 0.00 2.71 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 3.97 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 0.00 0.00 0.00 19 D 8.64 4.99 0.00 3.18 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 3.85 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 8.20 4.50 0.00 2.75 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 22 N 8.33 4.86 0.00 3.14 2.93 0.00 0.00 7.08 7.80 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 23 G 8.41 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 7.46 4.08 2.29 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 1.05 0.00 0.00 0.61 0.00 0.00 25 N 8.34 4.87 0.00 2.87 2.72 0.00 0.00 7.04 8.04 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 26 P 0.00 4.18 0.00 2.04 2.21 0.00 3.70 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 9.41 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.38 4.22 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 1.07 0.00 0.00 29 D 8.49 4.58 0.00 2.77 2.51 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 30 F 9.02 3.42 0.00 2.51 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 0.00 0.00 0.00 31 K 7.92 3.76 0.00 1.83 1.90 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 32 D 7.59 4.46 0.00 2.71 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 33 I 6.64 3.38 0.91 0.00 0.00 -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 0.49 -0.18 -0.17 0.00 0.00 34 P 0.00 4.17 0.00 2.21 1.93 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 2.05 2.03 0.00 35 D 8.57 4.55 0.00 2.62 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 36 D 7.78 4.69 0.00 2.78 2.77 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 37 W 8.04 4.26 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.86 4.32 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 0.68 0.00 0.00 0.66 0.00 0.00 39 C 8.45 3.58 0.00 3.13 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 40 P 0.00 4.11 0.00 2.01 2.03 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.93 0.00 41 L 7.54 4.29 0.00 1.61 1.74 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.97 4.51 0.00 3.01 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 43 G 8.11 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 0.00 0.00 0.00 44 V 7.33 3.90 2.11 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 0.84 0.00 0.00 0.98 0.00 0.00 45 G 8.34 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 46 K 8.78 4.27 0.00 1.89 1.99 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.70 7.81 47 D 8.27 4.68 0.00 2.87 2.89 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 0.00 0.00 0.00 48 Q 8.60 4.47 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 49 F 8.43 5.22 0.00 3.24 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 8.97 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 2.28 0.00 51 E 8.58 2.74 0.00 1.57 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.53 0.00 52 V 7.92 3.96 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 0.83 0.00 0.00 0.84 0.00 0.00 53 E 8.53 4.08 0.00 1.95 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 2.22 2.19 0.00