NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3322 8.1744 110.9430 61.3863 70.3877 173.3530 6 N 4.7378 7.9735 119.0187 53.3771 39.1755 173.5496 7 S 4.4706 8.7812 113.1220 57.5945 64.7872 173.2424 8 D 4.8544 8.5916 121.7368 54.8136 41.9108 175.2424 9 F 5.2960 7.9565 114.0953 55.4820 41.6378 173.9506 10 V 4.5639 8.7249 112.0442 59.5313 35.2399 174.9086 11 V 4.7745 8.6648 124.0331 61.3437 33.7512 174.4035 12 I 4.9671 8.9562 128.7638 59.3795 40.4699 174.1597 13 K 5.0324 9.3388 128.9660 54.2308 34.4092 175.0860 14 A 4.4323 8.8167 130.3100 52.2146 19.2072 177.4058 15 L 4.7328 8.7502 121.7317 54.4170 42.6555 175.9135 16 E 4.6657 7.6487 115.4310 55.1018 32.0641 174.5454 17 D 4.4738 8.3842 119.4749 55.5955 41.3795 176.9501 18 G 3.8748 8.7767 109.0011 45.8073 0.0000 173.8733 19 V 3.8697 7.4133 120.2734 63.0898 32.8298 174.5190 20 N 5.3386 9.1248 124.6805 51.4257 41.5373 173.5839 21 V 4.5253 8.7500 124.3756 61.3763 33.6853 174.1512 22 I 4.5297 8.6529 130.2940 59.3356 39.4831 175.1348 23 G 4.0418 8.8600 115.6243 45.2642 0.0000 172.4947 24 L 5.3297 8.8243 126.6268 53.5574 43.5726 176.5229 25 T 4.5311 8.7536 114.7150 61.8426 69.3046 174.2353 26 R 4.4811 7.8790 125.8621 56.8440 30.8180 175.0569 27 G 3.8119 8.7849 109.0405 44.2982 0.0000 174.1432 28 A 3.9840 8.7015 121.5368 54.3312 18.7635 177.6261 29 D 4.8457 7.2357 111.6280 53.1366 42.6134 176.4461 30 T 4.5072 8.2461 121.7082 61.3226 69.2186 172.7425 31 R 4.7172 8.8876 122.9418 53.7725 33.8153 174.2454 32 F 5.3513 8.6543 118.0597 57.5638 38.9992 175.6905 33 H 4.9343 9.1040 119.3612 56.6750 30.5284 174.6403 34 H 4.7986 7.6362 117.6655 54.7563 33.4166 171.9598 35 S 4.8312 8.2411 119.7391 56.3992 64.4870 172.3900 36 E 4.4270 9.0514 129.6746 54.9028 30.9391 174.7501 37 K 4.8083 8.6144 126.9569 55.5231 33.3243 175.9717 38 L 4.9044 9.0190 125.6627 53.1193 44.3216 176.0742 39 D 4.7406 9.2389 123.4041 52.7868 42.9245 176.0095 40 K 3.9954 8.8668 122.4089 58.5330 32.4078 176.7890 41 G 4.0614 8.9794 115.3535 45.2618 0.0000 173.6934 42 E 4.2427 8.0962 119.2914 56.2994 30.7217 176.1789 43 V 4.9632 8.3015 121.9907 60.9951 34.5073 174.2274 44 L 4.7780 9.0499 129.2872 53.2425 44.9482 174.8107 45 I 5.0393 8.4664 126.2269 59.5405 39.4043 174.7442 46 A 4.6842 8.9444 128.8441 50.1572 21.9848 175.4571 47 Q 4.7993 8.6510 121.0956 55.0416 30.3528 175.8088 48 F 4.6198 8.3924 120.2093 58.0650 39.8579 175.3226 49 T 4.6668 8.5581 110.8984 60.3647 71.7850 172.9035 50 E 4.0203 8.9743 121.1187 59.7104 29.6745 177.7110 51 H 4.4793 8.1368 114.3702 56.8085 29.7760 174.2867 52 T 5.1142 8.0130 116.5880 61.9357 71.0544 174.5473 53 S 4.9504 8.9727 119.9866 58.0176 64.7636 173.4246 54 A 5.1956 7.9380 121.3610 51.1007 22.6539 175.1301 55 I 4.9164 8.5530 120.3044 59.3275 40.6352 174.7383 56 K 4.5543 8.9396 128.2119 54.5385 34.5793 174.6086 57 V 4.7623 8.4182 127.0794 61.2615 33.3091 174.6393 58 R 4.5617 9.0109 127.0184 55.5555 32.8767 176.2578 59 G 4.1412 8.9965 108.9087 44.1812 0.0000 172.5680 60 K 4.5358 9.2267 120.8180 56.1144 33.0829 175.6090 61 A 5.0724 8.8054 127.6481 51.0103 23.4513 173.7509 62 Y 4.9982 9.1299 121.9837 56.0207 41.1818 174.5592 63 I 4.9062 8.2453 127.0872 59.5119 40.8107 174.2672 64 Q 5.0205 9.0086 126.3150 54.3089 31.8501 174.9306 65 T 4.7877 8.6057 112.7055 59.6522 72.5476 174.6048 66 R 3.7443 8.5479 120.8329 59.5059 29.8638 176.4929 67 H 4.6875 8.2201 112.4461 55.2447 29.5131 174.2406 68 G 3.7558 6.8296 106.0485 44.1173 0.0000 173.1946 69 V 4.7612 7.8761 112.7596 59.9868 34.7249 175.0966 70 I 4.4453 8.1175 120.9646 60.1977 41.8900 172.7756 71 E 5.2745 8.6402 126.3782 54.5097 31.9343 176.1843 72 S 4.5783 8.7626 119.0058 58.1569 64.9586 172.8710 73 E 4.9090 8.6526 119.3505 54.5418 33.2121 176.2754 74 G 3.7259 8.6292 110.1973 45.7449 0.0000 173.4748 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 5 T 8.17 4.33 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 1.22 0.00 0.00 6 N 7.97 4.74 0.00 2.80 2.85 0.00 0.00 7.16 6.75 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 7 S 8.78 4.47 0.00 4.09 3.95 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 0.00 0.00 0.00 0.00 8 D 8.59 4.85 0.00 2.79 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 9 F 7.96 5.30 0.00 2.96 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 10 V 8.72 4.56 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 0.55 0.00 0.00 0.85 0.00 0.00 11 V 8.66 4.77 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 1.10 0.00 0.00 1.15 0.00 0.00 12 I 8.96 4.97 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.91 0.00 0.00 13 K 9.34 5.03 0.00 1.88 1.81 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 14 A 8.82 4.43 1.36 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 0.00 0.00 0.00 15 L 8.75 4.73 0.00 1.64 1.70 1.03 1.14 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 16 E 7.65 4.67 0.00 2.03 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 2.19 2.32 0.00 17 D 8.38 4.47 0.00 2.69 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 18 G 8.78 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 0.00 0.00 0.00 19 V 7.41 3.87 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 0.85 0.00 0.00 1.03 0.00 0.00 20 N 9.12 5.34 0.00 2.59 2.58 0.00 0.00 6.30 8.49 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 21 V 8.75 4.53 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 0.93 0.00 0.00 0.89 0.00 0.00 22 I 8.65 4.53 1.51 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.29 -0.45 0.00 0.00 23 G 8.86 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.82 5.33 0.00 1.92 1.72 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.75 4.53 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 26 R 7.88 4.48 0.00 1.92 1.98 0.00 3.26 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.78 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 28 A 8.70 3.98 1.29 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 29 D 7.24 4.85 0.00 2.71 2.58 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 0.00 0.00 0.00 30 T 8.25 4.51 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 1.27 0.00 0.00 31 R 8.89 4.72 0.00 1.80 2.00 0.00 2.78 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.65 5.35 0.00 2.92 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 33 H 9.10 4.93 0.00 3.15 3.51 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.64 4.80 0.00 3.31 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.24 4.83 0.00 3.68 3.58 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 0.00 0.00 0.00 36 E 9.05 4.43 0.00 2.14 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 2.25 2.32 0.00 37 K 8.61 4.81 0.00 1.64 1.72 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.38 1.49 7.81 38 L 9.02 4.90 0.00 1.52 1.55 0.92 0.92 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 39 D 9.24 4.74 0.00 2.58 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.87 4.00 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.32 7.81 41 G 8.98 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.10 4.24 0.00 2.05 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 2.32 2.34 0.00 43 V 8.30 4.96 2.09 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 0.86 0.00 0.00 0.96 0.00 0.00 44 L 9.05 4.78 0.00 1.73 1.45 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 5.04 1.76 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 1.29 0.77 0.69 0.00 0.00 46 A 8.94 4.68 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.65 4.80 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 48 F 8.39 4.62 0.00 3.03 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 49 T 8.56 4.67 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 1.28 0.00 0.00 50 E 8.97 4.02 0.00 1.92 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 2.04 2.27 0.00 51 H 8.14 4.48 0.00 3.25 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 5.11 4.37 0.00 0.00 0.00 0.00 0.00 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 53 S 8.97 4.95 0.00 3.82 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 54 A 7.94 5.20 1.30 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 0.00 0.00 0.00 55 I 8.55 4.92 1.87 0.00 0.00 0.34 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 0.75 0.84 0.00 0.00 56 K 8.94 4.55 0.00 1.81 1.52 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.38 7.81 57 V 8.42 4.76 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.01 4.56 0.00 1.75 1.78 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 59 G 9.00 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 60 K 9.23 4.54 0.00 1.85 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.81 5.07 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 62 Y 9.13 5.00 0.00 3.02 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 63 I 8.25 4.91 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.82 0.00 0.00 64 Q 9.01 5.02 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 65 T 8.61 4.79 4.13 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.55 3.74 0.00 1.59 1.74 0.00 3.16 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 67 H 8.22 4.69 0.00 3.19 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.88 4.76 1.83 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 0.70 0.00 0.00 0.98 0.00 0.00 70 I 8.12 4.45 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.84 0.00 0.00 71 E 8.64 5.27 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 2.52 2.44 0.00 72 S 8.76 4.58 0.00 3.95 3.98 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 73 E 8.65 4.91 0.00 1.83 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 0.00 2.21 2.29 0.00 74 G 8.63 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