NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8905 8.3544 109.7365 44.7642 0.0000 176.9953 2 S 3.9411 9.1213 114.3468 57.1048 62.7045 170.9966 3 S 4.6114 7.8225 120.0477 57.0351 66.2720 173.5749 4 G 4.0300 8.2776 108.3864 45.5317 0.0000 173.2652 5 S 4.4352 8.5469 121.3346 57.6404 66.2786 174.5244 6 S 4.2233 8.9243 121.3535 61.7804 62.9742 174.9079 7 G 3.4812 7.0326 114.0710 44.2937 0.0000 172.4107 8 Q 4.6042 7.4198 117.5791 54.0463 32.9399 174.5799 9 L 4.4122 8.1820 119.9476 53.1816 42.7521 175.2577 10 P 4.4006 0.0000 0.0000 62.6861 31.8769 175.7149 11 S 4.8371 8.5182 117.8133 56.7863 64.6155 172.7596 12 Y 4.9498 7.5096 121.0658 55.8479 41.5231 173.6986 13 R 5.2271 8.6846 120.3723 54.6935 30.9389 176.2044 14 F 4.4269 9.1728 125.9850 59.1078 40.6671 173.6973 15 N 5.0820 6.8976 119.4983 50.5802 41.3182 173.3932 16 P 4.7187 0.0000 0.0000 64.0842 31.9542 176.4504 17 N 4.4861 7.7139 116.6521 54.7067 39.6425 174.3053 18 N 4.7214 7.5676 117.2586 51.0794 37.5788 174.1204 19 H 4.5067 8.4585 125.1693 54.5878 27.9589 174.2539 20 Q 3.9823 8.0708 121.7498 58.1238 28.6163 179.0523 21 S 4.6002 7.6621 113.2839 56.2763 66.0891 173.2776 22 E 3.8715 8.8034 124.5229 58.6423 29.2666 177.3946 23 Q 4.5317 7.9191 117.1338 53.6448 30.2867 174.7737 24 T 4.8176 8.6580 113.0265 59.7106 69.6576 172.6859 25 L 4.1165 8.2199 127.0282 53.2933 45.6828 175.1734 26 C 4.4406 7.6504 124.2024 57.3623 31.3119 174.9477 27 V 3.6238 8.1455 127.9006 64.2794 31.2702 177.9824 28 V 3.5932 7.9056 120.2721 65.5300 31.5541 176.7346 29 C 4.5928 7.7881 111.8278 58.2532 29.8986 173.4910 30 M 3.2677 7.4623 117.1781 57.1296 29.8912 176.4945 31 C 4.6899 7.3729 118.0036 57.0933 35.0194 172.7806 32 D 4.1498 8.2092 124.9016 52.8875 39.9431 175.3711 33 F 4.6913 7.6178 118.3688 56.3272 40.3252 175.7632 34 E 4.2407 8.1527 124.0287 54.4788 31.2234 176.0031 35 S 4.8054 8.2553 114.5217 59.3901 63.1007 173.2175 36 R 4.0072 8.1248 120.9484 57.7107 27.9890 176.4329 37 Q 4.6382 7.7986 114.4480 53.7117 33.2043 175.1635 38 L 4.0692 8.6844 124.7641 55.6007 42.4665 175.5167 39 L 4.7076 8.1075 126.4398 52.8718 45.5596 175.4716 40 R 4.8212 8.8049 117.7079 54.7307 35.0860 175.0948 41 V 4.9154 8.1497 119.4970 61.0462 34.1233 175.3675 42 L 4.2797 9.4977 129.1337 54.2246 42.0789 176.4283 43 P 4.5782 0.0000 0.0000 64.1682 31.1327 176.4036 44 C 4.5505 7.9040 112.4572 57.9534 30.2039 173.0975 45 N 4.2201 8.0396 113.9650 54.9594 35.3250 174.1622 46 H 5.0406 7.6497 113.8195 54.1971 33.6311 174.1715 47 E 4.6919 8.5239 121.7052 55.8044 31.0152 175.2910 48 F 5.0847 8.8841 120.6180 56.8686 44.8653 172.6494 49 H 5.1783 9.1252 116.7316 54.8526 29.3848 176.6678 50 A 4.0322 8.3681 126.3647 54.9121 17.8348 179.4158 51 K 4.2012 7.9584 116.4880 60.5124 33.4419 178.2140 52 C 4.1781 8.3129 118.3779 62.0671 27.9308 175.9490 53 V 3.6739 8.3789 120.6562 65.6440 30.4791 178.3368 54 D 4.3476 7.8653 118.4270 56.9699 40.1285 178.4794 55 K 3.8874 8.7526 120.5465 58.8056 32.2446 178.6583 56 W 3.9789 8.2104 128.4301 60.2815 30.6485 177.5223 57 L 4.6337 8.1531 119.8769 57.3728 41.2426 179.1684 58 K 3.9037 7.3622 117.5237 59.4879 32.0955 178.2866 59 A 4.1652 6.9501 119.2111 53.1216 18.9473 177.4436 60 N 4.5578 7.5688 115.4695 51.4238 40.9308 175.7149 61 R 4.1592 8.2980 127.8325 55.5437 29.3647 174.3834 62 T 4.8489 7.2274 106.7893 60.4140 72.6251 172.6501 63 C 4.2732 8.3132 121.6770 57.8556 31.6847 172.0738 64 P 4.1989 0.0000 0.0000 63.6639 30.3132 176.0064 65 I 4.2425 7.3678 117.2032 62.5109 39.6393 176.3668 66 C 4.6668 7.8101 112.2676 58.1043 29.9355 174.1835 67 R 4.5145 8.3446 114.9385 56.6119 27.6616 176.0560 68 A 4.1855 7.7965 122.8084 50.9709 18.2647 177.0414 69 D 4.4512 8.8845 122.8104 55.1405 41.2814 176.7164 70 S 4.2816 8.1695 119.5772 62.6224 64.6047 174.2274 71 G 4.0201 8.8574 107.6503 43.8131 0.0000 174.0244 72 P 4.5681 0.0000 0.0000 62.5256 32.9897 176.6109 73 S 4.6549 8.0543 112.6780 56.6704 65.7827 174.4161 74 S 4.2656 8.9049 119.2467 61.1348 63.2278 174.3522 75 G 3.7109 7.7290 113.2497 45.6715 0.0000 172.3645 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 3.89 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 0.00 0.00 0.00 2 S 9.12 3.94 0.00 3.92 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 3 S 7.82 4.61 0.00 3.97 3.88 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 0.00 0.00 0.00 4 G 8.28 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.55 4.44 0.00 3.83 3.77 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 6 S 8.92 4.22 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.03 3.48 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 0.00 0.00 0.00 8 Q 7.42 4.60 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.65 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 9 L 8.18 4.41 0.00 1.65 1.61 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.40 0.00 2.30 2.12 0.00 3.79 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 2.08 2.02 0.00 11 S 8.52 4.84 0.00 3.98 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 12 Y 7.51 4.95 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 5.23 0.00 1.81 2.03 0.00 3.38 0.00 0.00 3.87 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 14 F 9.17 4.43 0.00 3.20 3.23 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 15 N 6.90 5.08 0.00 2.28 2.58 0.00 0.00 6.63 7.96 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 16 P 0.00 4.72 0.00 2.30 2.48 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 17 N 7.71 4.49 0.00 2.71 2.80 0.00 0.00 6.94 7.65 0.00 0.00 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 N 7.57 4.72 0.00 2.73 2.74 0.00 0.00 5.78 7.69 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 19 H 8.46 4.51 0.00 3.12 3.24 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.07 3.98 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 21 S 7.66 4.60 0.00 3.86 3.77 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 22 E 8.80 3.87 0.00 2.03 2.07 0.00 0.00 0.00 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 2.33 0.00 23 Q 7.92 4.53 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 24 T 8.66 4.82 4.75 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 1.54 0.00 0.00 25 L 8.22 4.12 0.00 1.45 1.40 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 26 C 7.65 4.44 0.00 2.39 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 27 V 8.15 3.62 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 0.82 0.00 0.00 0.85 0.00 0.00 28 V 7.91 3.59 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 29 C 7.79 4.59 0.00 3.09 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 30 M 7.46 3.27 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 31 C 7.37 4.69 0.00 3.01 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 32 D 8.21 4.15 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.62 4.69 0.00 2.93 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 34 E 8.15 4.24 0.00 2.10 1.84 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 2.22 2.16 0.00 35 S 8.26 4.81 0.00 4.15 3.89 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 36 R 8.12 4.01 0.00 2.05 2.06 0.00 3.20 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 37 Q 7.80 4.64 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 38 L 8.68 4.07 0.00 1.78 1.60 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.11 4.71 0.00 1.00 1.21 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.80 4.82 0.00 1.67 1.77 0.00 3.07 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 41 V 8.15 4.92 2.18 0.00 0.00 0.00 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 1.03 0.00 0.00 42 L 9.50 4.28 0.00 2.03 1.71 0.55 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.58 0.00 2.20 2.18 0.00 3.77 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 2.02 2.10 0.00 44 C 7.90 4.55 0.00 3.07 3.06 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 45 N 8.04 4.22 0.00 2.84 2.95 0.00 0.00 6.63 7.89 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 46 H 7.65 5.04 0.00 3.35 2.97 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.52 4.69 0.00 1.72 1.12 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 2.26 2.32 0.00 48 F 8.88 5.08 0.00 2.86 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 49 H 9.13 5.18 0.00 3.28 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.37 4.03 1.37 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 51 K 7.96 4.20 0.00 2.02 2.09 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.56 7.81 52 C 8.31 4.18 0.00 3.28 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 53 V 8.38 3.67 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 1.12 0.00 0.00 0.72 0.00 0.00 54 D 7.87 4.35 0.00 2.96 2.78 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 0.00 0.00 0.00 55 K 8.75 3.89 0.00 1.84 1.94 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 56 W 8.21 3.98 0.00 3.47 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 57 L 8.15 4.63 0.00 1.69 1.76 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.36 3.90 0.00 1.95 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 59 A 6.95 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.57 4.56 0.00 1.63 2.41 0.00 0.00 5.19 7.05 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 61 R 8.30 4.16 0.00 1.80 1.83 0.00 3.22 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 62 T 7.23 4.85 4.36 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 1.31 0.00 0.00 63 C 8.31 4.27 0.00 3.16 3.02 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 0.00 0.00 0.00 64 P 0.00 4.20 0.00 1.31 0.49 0.00 3.23 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.00 65 I 7.37 4.24 1.86 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 0.74 0.00 0.00 66 C 7.81 4.67 0.00 3.15 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 67 R 8.34 4.51 0.00 1.95 2.15 0.00 3.30 0.00 0.00 3.96 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 68 A 7.80 4.19 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 69 D 8.88 4.45 0.00 2.65 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 70 S 8.17 4.28 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.86 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.57 0.00 2.19 2.08 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 73 S 8.05 4.65 0.00 3.93 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 74 S 8.90 4.27 0.00 4.00 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 75 G 7.73 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00