NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4912 8.1233 122.4792 52.0432 20.3196 176.2963 2 Y 4.6997 8.8955 120.1052 55.8393 39.3149 169.7679 3 V 4.5368 9.5730 121.7220 60.1232 35.6356 174.7230 4 I 4.4528 8.4416 124.2617 60.4946 37.4360 175.3674 5 N 4.8978 8.8908 126.2793 51.9508 40.0228 176.3774 6 E 4.0310 8.8660 116.8602 58.5099 29.7304 178.0509 7 A 4.0352 8.0138 122.0912 54.6385 18.6355 177.3362 8 C 3.8290 7.8735 116.0434 60.4682 31.6892 173.5203 9 I 4.2242 8.3357 118.4588 60.0440 37.8779 175.2758 10 S 3.8253 7.9009 115.5391 60.0975 59.8980 172.8567 11 C 4.1136 7.9965 115.7017 59.2578 30.1260 174.8500 12 G 3.5985 7.5780 107.7903 44.9934 0.0000 174.9539 13 A 3.9707 7.5956 122.1889 55.0280 18.8056 179.2712 14 C 4.2539 7.8019 111.0327 60.7926 29.9873 175.5298 15 E 3.9601 7.8782 122.5739 58.8065 29.1003 176.9506 16 P 4.4699 0.0000 0.0000 64.9339 31.6702 177.1818 17 E 4.3305 7.7747 117.0980 56.2083 30.1105 175.9456 18 C 4.2299 7.2636 120.4677 58.3500 31.9138 172.5018 19 P 4.3909 0.0000 0.0000 64.8366 31.1910 177.2544 20 V 4.2403 7.5402 110.1858 60.1152 32.4296 174.5529 21 N 4.0790 7.8124 116.4448 54.7459 37.7470 174.2800 22 A 4.4879 7.9140 116.6023 52.2307 20.3573 177.6367 23 I 5.0881 7.6486 116.4483 59.5990 39.3412 175.2086 24 S 4.5778 8.8084 119.3284 56.5418 66.9617 173.7962 25 S 3.0321 8.2965 116.4495 57.3813 59.3990 173.0569 26 G 4.4388 7.2575 110.1790 42.8720 0.0000 170.1884 27 D 4.4666 8.8399 120.2574 56.9996 40.8583 177.7749 28 D 5.0112 7.7796 114.2756 52.3637 40.1770 175.4632 29 R 4.6481 7.5643 114.1394 55.3386 31.8577 173.9112 30 Y 4.6133 8.9418 119.1750 58.7000 39.0253 175.9142 31 V 4.6138 8.8609 119.6673 60.4136 35.2786 173.8593 32 I 4.8332 8.3035 123.6307 59.9061 39.0899 175.1660 33 D 4.6145 9.3502 127.2235 53.5404 40.8146 176.7184 34 A 4.1579 8.7053 129.5248 54.3351 18.6293 177.6759 35 D 4.6854 8.3557 114.3756 55.3046 41.3336 177.1938 36 T 4.4498 7.4956 114.1536 64.1549 71.1499 174.3865 37 C 4.1495 8.1250 121.3784 59.7919 31.7280 173.0605 38 I 4.4205 8.1434 118.2183 60.4994 36.5554 175.4499 39 D 4.6720 8.2976 118.5182 56.0014 37.7702 175.8463 40 C 4.1432 7.3146 113.6936 59.4482 29.9435 174.9314 41 G 3.4908 7.0853 105.0897 45.6428 0.0000 175.0510 42 A 3.9738 7.6364 122.1794 54.7848 18.4678 179.4813 43 C 4.1532 7.8760 112.5314 61.6049 29.7535 175.9254 44 A 4.1347 8.0012 123.3273 54.6402 17.8135 179.6404 45 G 3.6868 7.9723 103.1745 46.8770 0.0000 175.3310 46 V 4.4282 7.1890 112.3845 59.9804 32.4354 174.6098 47 C 4.5127 7.5763 121.3759 56.9249 31.9807 172.8504 48 P 4.3167 0.0000 0.0000 65.0631 31.1089 177.3862 49 V 4.1464 7.6825 109.6268 60.0662 32.2753 174.6304 50 D 4.3386 7.8064 118.0536 55.2845 40.1070 174.4148 51 A 4.2518 7.8800 121.0715 54.1901 20.1064 177.2914 52 P 4.9847 0.0000 0.0000 62.6183 32.1223 176.7912 53 V 4.3577 8.7539 117.3411 58.9368 35.9035 174.8411 54 Q 3.4671 7.7409 124.5178 55.8021 29.5209 175.9310 55 A 4.1932 8.4244 128.6559 52.3862 19.3588 175.3131 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 A 8.12 4.49 1.32 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 0.00 0.00 0.00 2 Y 8.90 4.70 0.00 2.85 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 3 V 9.57 4.54 2.10 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 0.88 0.00 0.00 0.95 0.00 0.00 4 I 8.44 4.45 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.98 0.00 0.00 5 N 8.89 4.90 0.00 2.76 2.77 0.00 0.00 6.48 7.91 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 6 E 8.87 4.03 0.00 2.07 2.10 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 2.28 2.38 0.00 7 A 8.01 4.04 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.87 3.83 0.00 3.07 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 9 I 8.34 4.22 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.97 0.00 0.00 10 S 7.90 3.83 0.00 4.14 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 0.00 11 C 8.00 4.11 0.00 3.02 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 12 G 7.58 3.60 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 0.00 0.00 0.00 13 A 7.60 3.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.80 4.25 0.00 3.13 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 15 E 7.88 3.96 0.00 2.22 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 0.00 2.37 2.57 0.00 16 P 0.00 4.47 0.00 2.26 2.17 0.00 3.86 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 1.98 2.05 0.00 17 E 7.77 4.33 0.00 1.95 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 0.00 2.42 2.42 0.00 18 C 7.26 4.23 0.00 3.03 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 19 P 0.00 4.39 0.00 2.20 2.14 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 20 V 7.54 4.24 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 0.81 0.00 0.00 0.98 0.00 0.00 21 N 7.81 4.08 0.00 2.78 2.84 0.00 0.00 7.00 9.17 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 22 A 7.91 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.65 5.09 1.94 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 1.46 0.69 1.11 0.00 0.00 24 S 8.81 4.58 0.00 3.77 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 25 S 8.30 3.03 0.00 3.21 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.26 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.84 4.47 0.00 2.67 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 28 D 7.78 5.01 0.00 2.74 2.72 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 0.00 0.00 0.00 0.00 29 R 7.56 4.65 0.00 2.05 2.07 0.00 3.18 0.00 0.00 3.51 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 30 Y 8.94 4.61 0.00 2.79 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 31 V 8.86 4.61 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 0.74 0.00 0.00 0.95 0.00 0.00 32 I 8.30 4.83 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 1.00 0.00 0.00 33 D 9.35 4.61 0.00 2.76 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 34 A 8.71 4.16 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.36 4.69 0.00 2.85 2.73 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 36 T 7.50 4.45 4.29 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 1.24 0.00 0.00 37 C 8.12 4.15 0.00 3.05 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 38 I 8.14 4.42 1.87 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 1.40 0.66 0.98 0.00 0.00 39 D 8.30 4.67 0.00 2.98 3.17 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 0.00 40 C 7.31 4.14 0.00 3.08 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 41 G 7.09 3.49 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 0.00 0.00 0.00 42 A 7.64 3.97 1.24 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 0.00 0.00 43 C 7.88 4.15 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.13 1.63 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 0.00 0.00 45 G 7.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.19 4.43 2.05 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 0.83 0.00 0.00 0.98 0.00 0.00 47 C 7.58 4.51 0.00 3.08 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 48 P 0.00 4.32 0.00 2.20 2.15 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 49 V 7.68 4.15 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 0.67 0.00 0.00 0.99 0.00 0.00 50 D 7.81 4.34 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.98 0.00 2.18 2.17 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 53 V 8.75 4.36 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 0.79 0.00 0.00 0.86 0.00 0.00 54 Q 7.74 3.47 0.00 1.38 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 55 A 8.42 4.19 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00