NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9863 8.3544 109.7384 45.6803 0.0000 172.6157 2 Q 4.2798 7.9650 120.2051 54.1304 31.5353 171.1020 3 D 4.6161 8.0243 120.7246 51.9471 45.5691 175.9086 4 R 3.4562 8.0765 118.3815 58.7083 29.1576 177.8614 5 F 5.0057 8.3050 109.7914 56.7140 39.9129 173.7098 6 V 4.7870 7.1710 120.6422 62.3142 35.3983 174.0872 7 Y 5.2463 8.6206 120.5040 57.6916 42.6149 173.0762 8 T 5.1382 8.5791 109.3292 60.7718 72.9674 172.8268 9 C 4.6915 8.7151 121.3690 57.3967 33.2333 173.8551 10 N 4.3439 8.7217 124.8360 54.8584 38.4717 175.2632 11 E 4.3438 7.8636 115.8717 58.4405 29.3134 176.6904 12 C 4.3969 7.9524 115.0890 59.0819 29.4234 173.6561 13 K 3.8279 8.2948 118.3533 57.7841 29.9793 173.3888 14 H 5.0811 7.4034 113.2567 54.1832 34.1767 172.0069 15 H 4.9096 7.7947 120.7455 56.4665 30.5779 174.4833 16 V 4.5637 8.7669 116.0141 60.0132 35.9765 175.4617 17 E 4.7387 8.9779 119.3666 57.5398 30.9258 176.1860 18 T 4.5712 7.7859 116.6823 61.8047 72.3194 173.2455 19 R 4.8257 8.4810 122.0652 54.2588 33.8723 173.7303 20 W 4.6514 9.1508 119.6240 55.1580 31.6738 174.9704 21 H 5.4418 9.0654 123.6182 54.5060 32.6618 172.0215 22 C 4.7278 9.4171 125.0341 59.9170 28.3104 173.7271 23 T 4.4750 8.7748 114.0991 61.4516 68.4430 175.5399 24 V 4.0474 7.3277 120.3006 64.0393 32.8196 176.4257 25 C 4.4329 7.6203 118.5640 58.3066 29.1705 174.7328 26 E 4.2401 8.5850 121.0497 57.2953 27.2574 176.3271 27 D 4.5681 8.7151 123.6289 54.6768 40.4157 172.5535 28 Y 4.4887 7.6014 116.1600 57.6477 40.0871 174.3684 29 D 5.6472 8.0174 123.0367 52.9150 46.2533 174.2233 30 L 5.0841 9.0816 119.4972 53.3054 46.5860 176.3366 31 C 4.7530 8.8577 117.8834 57.6936 30.9234 174.5524 32 I 4.0657 8.7413 120.6809 64.9112 36.3689 178.1517 33 N 4.3195 8.1445 115.6840 56.8670 39.2062 176.2751 34 C 4.3095 8.0605 117.6463 62.9639 28.3062 175.0508 35 Y 4.0980 8.4722 121.5392 60.9368 38.0871 177.9675 36 N 4.1365 8.1391 115.5903 55.1237 38.5123 175.6448 37 T 4.3331 7.2022 108.0514 63.0986 69.6197 176.0700 38 K 4.1430 8.6547 120.5540 56.6991 32.2509 176.9664 39 S 3.4867 7.2620 113.3072 59.1970 60.9229 172.5783 40 H 3.9033 7.4997 119.3240 57.1713 29.6018 174.4315 41 T 4.3452 8.0571 122.6831 63.6753 68.6519 174.5901 42 H 4.6445 7.6066 119.4783 54.1036 30.1963 174.8915 43 K 4.0301 8.4948 120.8512 57.4379 30.9506 175.2586 44 M 5.2978 8.2730 125.8210 53.7308 35.3887 174.4079 45 V 4.3033 8.4680 112.1562 60.1570 36.6810 174.6136 46 K 4.1181 6.6686 120.7749 54.7444 34.9860 175.2010 47 W 4.9236 8.2212 126.1500 54.8204 32.7297 174.5893 48 G 4.2685 8.4732 109.8939 44.4544 0.0000 172.4661 49 L 4.8664 8.9659 120.9080 54.8172 45.0854 175.6046 50 G 4.4210 7.9348 104.4548 47.1971 0.0000 173.9090 51 L 4.7251 7.8713 119.0233 52.2881 41.7283 176.1559 52 D 4.3685 7.9481 121.8894 54.3132 41.1932 175.7423 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 G 8.35 3.99 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 0.00 0.00 0.00 2 Q 7.96 4.28 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.39 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 3 D 8.02 4.62 0.00 2.55 2.30 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 4 R 8.08 3.46 0.00 1.61 1.80 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.29 0.00 5 F 8.30 5.01 0.00 2.97 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 6 V 7.17 4.79 2.30 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 1.00 0.00 0.00 1.05 0.00 0.00 7 Y 8.62 5.25 0.00 3.06 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 8 T 8.58 5.14 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 1.22 0.00 0.00 9 C 8.72 4.69 0.00 3.06 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 10 N 8.72 4.34 0.00 2.46 1.67 0.00 0.00 6.22 7.31 0.00 0.00 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 E 7.86 4.34 0.00 2.03 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 2.40 2.38 0.00 12 C 7.95 4.40 0.00 3.01 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 13 K 8.29 3.83 0.00 1.78 1.85 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 14 H 7.40 5.08 0.00 3.24 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 7.79 4.91 0.00 3.15 3.02 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.77 4.56 2.19 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 0.68 0.00 0.00 1.04 0.00 0.00 17 E 8.98 4.74 0.00 2.06 2.19 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 2.25 2.44 0.00 18 T 7.79 4.57 4.17 0.00 0.00 0.00 0.00 0.00 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 19 R 8.48 4.83 0.00 1.94 2.03 0.00 2.91 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.51 0.00 20 W 9.15 4.65 0.00 3.17 2.59 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 0.00 0.00 0.00 0.00 21 H 9.07 5.44 0.00 3.30 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.42 4.73 0.00 3.26 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 23 T 8.77 4.47 4.28 0.00 0.00 0.00 0.00 0.00 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 24 V 7.33 4.05 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 0.94 0.00 0.00 0.80 0.00 0.00 25 C 7.62 4.43 0.00 3.10 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 26 E 8.59 4.24 0.00 2.10 1.98 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 2.44 2.34 0.00 27 D 8.72 4.57 0.00 2.92 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 28 Y 7.60 4.49 0.00 3.25 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 5.65 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.08 5.08 0.00 1.79 1.77 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.86 4.75 0.00 3.18 3.14 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 32 I 8.74 4.07 2.02 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 1.64 1.07 1.16 0.00 0.00 33 N 8.14 4.32 0.00 2.73 2.89 0.00 0.00 7.02 7.67 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 34 C 8.06 4.31 0.00 3.20 3.04 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 35 Y 8.47 4.10 0.00 2.89 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 36 N 8.14 4.14 0.00 2.94 2.78 0.00 0.00 7.10 7.10 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 37 T 7.20 4.33 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 1.21 0.00 0.00 38 K 8.65 4.14 0.00 1.87 1.96 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.63 7.81 39 S 7.26 3.49 0.00 3.88 3.74 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 40 H 7.50 3.90 0.00 3.33 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.06 4.35 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 1.16 0.00 0.00 42 H 7.61 4.64 0.00 3.19 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.49 4.03 0.00 1.78 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.43 7.81 44 M 8.27 5.30 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 45 V 8.47 4.30 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 0.71 0.00 0.00 0.98 0.00 0.00 46 K 6.67 4.12 0.00 0.79 0.74 0.00 1.05 0.00 0.00 0.93 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 47 W 8.22 4.92 0.00 2.72 2.90 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 48 G 8.47 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 0.00 0.00 0.00 0.00 49 L 8.97 4.87 0.00 1.93 1.73 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.93 4.42 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 0.00 51 L 7.87 4.73 0.00 1.62 1.60 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.95 4.37 0.00 2.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00