NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5901 8.3644 120.5317 54.1526 43.1152 175.7269 2 V 3.8494 7.5732 117.3936 62.4876 32.4362 172.5916 3 N 5.1009 8.7437 120.5272 54.5753 45.7800 175.0053 4 E 4.3804 8.2685 116.6186 57.6632 30.4890 176.5799 5 C 4.9736 8.0308 115.5351 57.0627 40.8287 174.0695 6 I 4.0368 7.8706 120.7386 61.3133 39.0007 175.7586 7 S 4.4386 7.9340 112.4540 56.9281 64.7312 171.3472 8 N 4.1477 8.1622 121.8024 52.1835 34.6143 172.5435 9 P 3.8757 0.0000 0.0000 64.6453 31.4924 177.6224 10 C 4.4249 7.0248 113.7942 57.4939 40.6802 173.3680 11 Q 4.3375 8.4663 116.9254 57.1177 31.1181 176.3882 12 N 4.3286 7.9515 113.7900 54.1844 38.0556 175.0904 13 D 4.6122 8.1550 121.1507 53.6600 42.4017 174.7475 14 A 5.2533 8.3106 118.4127 51.0114 20.5010 177.9706 15 T 4.4469 8.2095 109.6734 60.8247 71.9668 173.8087 16 C 4.8758 8.3860 120.6955 55.8279 46.5287 174.0442 17 L 4.2237 6.8430 123.4278 54.4152 44.2188 172.2616 18 D 5.0807 7.8382 123.0841 51.5732 44.6799 173.7534 19 Q 4.3803 9.0162 121.9705 57.0429 31.2886 175.9797 20 I 4.6139 7.7296 112.9198 62.3431 41.9764 177.1052 21 G 4.3042 7.7623 108.0810 43.7982 0.0000 173.5092 22 E 4.6600 8.0996 119.9601 54.5647 30.5170 171.3111 23 F 4.9385 8.1559 123.6315 56.1252 39.4896 174.1905 24 Q 4.8833 8.6598 126.1611 55.0911 32.9075 172.3792 25 C 5.5614 9.0508 123.2040 55.6591 43.0380 173.0110 26 I 4.4108 8.3778 124.6360 60.7212 38.2215 173.8759 27 C 5.4555 8.4794 122.5544 54.1405 44.8574 172.3832 28 M 4.3558 8.6446 118.2169 53.9717 32.6999 173.2938 29 P 4.5217 0.0000 0.0000 63.2972 30.0287 175.5314 30 G 4.3723 7.7896 125.9293 46.8517 0.0000 170.0389 31 Y 5.4354 7.3754 119.0812 56.6052 38.6509 175.1470 32 E 4.5370 8.4376 125.0357 53.9838 32.2045 172.7060 33 G 4.1012 8.3927 104.1987 44.8844 0.0000 173.7460 34 V 3.8891 8.2672 110.9541 62.9142 32.0043 176.8259 35 Y 4.8876 7.5884 115.4181 57.4710 38.6043 174.7896 36 C 4.1248 8.4005 121.3750 57.0148 36.8363 172.7314 37 E 4.9117 8.5771 124.7616 55.4212 31.5791 177.3122 38 I 4.1661 7.2491 125.5095 62.8668 38.3661 175.3855 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 D 8.36 4.59 0.00 2.69 2.80 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 2 V 7.57 3.85 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 0.89 0.00 0.00 0.94 0.00 0.00 3 N 8.74 5.10 0.00 2.73 2.80 0.00 0.00 6.87 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 4 E 8.27 4.38 0.00 2.04 2.28 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 2.77 2.50 0.00 5 C 8.03 4.97 0.00 3.02 3.10 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 0.00 0.00 0.00 0.00 6 I 7.87 4.04 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 1.00 0.00 0.00 7 S 7.93 4.44 0.00 3.94 3.91 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 8 N 8.16 4.15 0.00 3.00 2.89 0.00 0.00 7.29 8.05 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 9 P 0.00 3.88 0.00 0.49 0.78 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.47 0.00 10 C 7.02 4.42 0.00 2.99 3.09 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 0.00 0.00 0.00 0.00 11 Q 8.47 4.34 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 12 N 7.95 4.33 0.00 2.58 2.49 0.00 0.00 6.02 7.72 0.00 0.00 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 D 8.15 4.61 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 5.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.45 4.23 0.00 0.00 0.00 0.00 0.00 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 16 C 8.39 4.88 0.00 3.04 2.96 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 17 L 6.84 4.22 0.00 1.65 1.49 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.84 5.08 0.00 2.16 2.36 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 19 Q 9.02 4.38 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 20 I 7.73 4.61 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.92 0.00 0.00 21 G 7.76 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 0.00 0.00 0.00 0.00 22 E 8.10 4.66 0.00 1.98 1.79 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 2.29 2.32 0.00 23 F 8.16 4.94 0.00 3.32 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 24 Q 8.66 4.88 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 25 C 9.05 5.56 0.00 3.15 3.13 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 0.00 26 I 8.38 4.41 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 0.93 0.00 0.00 27 C 8.48 5.46 0.00 3.35 3.21 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 0.00 28 M 8.64 4.36 0.00 1.54 1.91 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 29 P 0.00 4.52 0.00 2.14 2.07 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 30 G 7.79 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 0.00 0.00 0.00 0.00 31 Y 7.38 5.44 0.00 2.99 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 32 E 8.44 4.54 0.00 2.03 1.93 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 2.36 2.26 0.00 33 G 8.39 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.27 3.89 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 0.76 0.00 0.00 0.79 0.00 0.00 35 Y 7.59 4.89 0.00 2.96 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 36 C 8.40 4.12 0.00 3.30 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.58 4.91 0.00 1.94 1.93 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 2.13 2.22 0.00 38 I 7.25 4.17 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.94 0.93 0.00 0.00