NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3162 8.2649 123.5792 52.3921 18.8082 176.2643 2 V 3.7153 7.8625 114.5400 62.4527 32.3485 175.7549 3 C 5.1846 7.6187 115.8038 54.0581 38.9496 171.2591 4 P 4.6911 0.0000 0.0000 62.0023 32.0784 176.2041 5 T 4.3564 8.1711 111.3554 62.1836 70.7064 176.1210 6 G 3.9816 8.3239 110.1376 44.1140 0.0000 174.9978 7 L 3.7689 8.2252 125.1325 56.7494 42.7497 176.9529 8 F 4.8222 7.5494 120.4253 56.5280 37.6660 175.8273 9 S 5.1831 7.6903 111.0742 57.1962 64.7062 175.1586 10 N 5.0148 8.2079 118.7832 51.0839 40.9338 172.0192 11 P 5.0063 0.0000 0.0000 62.6612 32.0746 175.7846 12 L 5.1198 9.8999 124.3864 53.0755 46.8246 174.9851 13 C 5.2424 9.5690 119.4479 56.1401 39.8928 172.4054 14 C 5.6969 9.1222 120.7042 53.7535 43.5397 175.3352 15 A 3.7205 8.6867 122.7363 55.4030 18.5919 177.6004 16 T 3.8711 7.2268 106.9784 61.8350 71.0820 171.8810 17 N 5.2667 8.0453 124.1223 50.8237 39.9587 172.1428 18 V 3.6509 8.5957 123.6846 63.9788 31.8524 176.1543 19 L 3.6390 9.1818 126.1582 55.9065 39.0445 174.4664 20 D 4.9080 8.4586 114.7125 55.1695 39.2306 174.5012 21 L 4.8098 7.4427 119.3050 54.8544 46.6189 175.7403 22 I 4.8596 8.0041 120.7642 59.4606 38.9223 175.5299 23 G 4.0375 8.9437 116.1975 45.8747 0.0000 172.7896 24 V 4.3467 8.6913 125.5655 61.6091 34.0538 175.2802 25 D 4.6521 8.3572 125.6355 55.5612 38.4024 174.0677 26 C 4.8864 7.7662 114.4081 56.7335 40.1537 175.1928 27 K 4.8618 9.1281 121.2353 54.6904 36.3633 176.0179 28 T 4.3522 8.5553 119.9872 62.8271 69.0679 172.9426 29 P 4.5430 0.0000 0.0000 63.3123 31.9529 176.3439 30 T 4.4898 8.7380 110.1057 61.3479 69.0931 173.6389 31 I 4.4916 6.9833 114.0294 59.4527 40.6530 173.8334 32 A 4.1569 8.3168 123.6307 52.0985 18.7259 178.4179 33 V 4.3018 7.8884 116.7854 59.5453 31.2964 175.0530 34 D 4.4976 8.2405 123.3201 54.7136 40.4346 177.9149 35 T 4.8639 7.5614 109.3977 58.9306 73.1408 174.9828 36 G 3.6806 8.5936 108.3059 47.9360 0.0000 175.6270 37 A 4.0350 8.1184 123.1221 55.1887 18.2890 179.6852 38 I 3.7215 7.9901 118.1060 64.3396 37.2576 178.2969 39 F 4.5035 8.5674 121.8338 61.6720 39.2188 177.0593 40 Q 3.7063 8.8102 119.0828 58.9470 28.9133 177.8939 41 A 3.9829 8.1438 121.8618 55.3173 18.3014 178.9733 42 H 4.0956 8.6003 117.0591 59.8816 30.0190 176.8786 43 C 4.1724 8.1663 117.7325 59.9306 36.2788 176.0422 44 A 4.1042 8.1691 122.6550 54.9208 17.6838 179.7750 45 S 4.3601 7.7741 112.0862 60.8798 63.0286 175.8723 46 K 4.4046 7.2334 119.4139 55.1948 32.0455 176.6284 47 G 3.8639 8.3453 107.3293 46.6623 0.0000 173.3731 48 S 4.8631 8.2577 115.0727 56.2861 66.9492 173.2865 49 K 4.5931 9.0836 119.8631 53.9849 35.2552 174.3638 50 P 4.3405 0.0000 0.0000 62.2309 32.2852 174.9606 51 L 5.1759 9.2459 124.5845 52.9013 46.4542 175.0381 52 C 5.3189 9.0915 119.4061 55.9737 37.2798 172.4078 53 C 6.1868 9.3613 121.1996 53.9703 44.4581 173.9280 54 V 4.5056 8.3854 112.7467 60.3198 32.4520 176.5250 55 A 3.9590 8.6151 124.5057 52.0028 18.5370 175.7582 56 P 4.0803 0.0000 0.0000 63.1123 32.0755 175.9570 57 V 4.1019 8.4209 116.2900 60.0766 33.2555 176.6885 58 A 4.7741 8.2795 131.1990 50.5230 17.7766 176.7411 59 D 4.4620 7.7918 116.1484 54.0852 46.0702 175.6242 60 Q 3.6849 8.1402 115.5213 57.0828 27.2526 174.4288 61 A 4.3464 7.5647 122.7744 50.6481 17.5757 176.2888 62 L 4.4088 7.4980 123.1225 53.2986 43.6494 175.7095 63 L 4.9822 8.4762 127.3583 54.6603 42.9989 176.9296 64 C 5.5858 9.9668 120.8112 55.8734 46.4933 172.7377 65 Q 4.6340 8.4176 117.3986 53.7371 32.9811 174.9889 66 K 4.1870 8.7294 122.3781 57.1813 32.8933 176.6446 67 A 4.3339 8.2659 125.3682 51.7830 19.3571 177.2119 68 I 3.8077 8.2721 121.0708 62.5224 37.7155 176.7188 69 G 3.9470 10.5895 113.5986 45.5821 0.0000 173.0163 70 T 4.4251 7.7780 107.4470 60.9553 71.5194 173.1371 71 F 4.1826 8.9056 126.2325 58.7895 40.3075 174.3959 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 8.26 4.32 1.28 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 0.00 0.00 0.00 2 V 7.86 3.72 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 0.80 0.00 0.00 0.48 0.00 0.00 3 C 7.62 5.18 0.00 2.90 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.28 2.21 0.00 3.93 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 2.32 2.04 0.00 5 T 8.17 4.36 4.24 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 1.21 0.00 0.00 6 G 8.32 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 0.00 0.00 0.00 7 L 8.23 3.77 0.00 1.39 1.32 0.60 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.55 4.82 0.00 3.10 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 9 S 7.69 5.18 0.00 3.86 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 10 N 8.21 5.01 0.00 2.96 2.78 0.00 0.00 6.79 7.77 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 11 P 0.00 5.01 0.00 1.30 1.59 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 12 L 9.90 5.12 0.00 1.66 1.68 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.57 5.24 0.00 2.86 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 14 C 9.12 5.70 0.00 2.77 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 15 A 8.69 3.72 1.23 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 0.00 0.00 16 T 7.23 3.87 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 N 8.05 5.27 0.00 2.74 2.57 0.00 0.00 6.48 7.71 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 18 V 8.60 3.65 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 0.90 0.00 0.00 0.92 0.00 0.00 19 L 9.18 3.64 0.00 1.91 1.72 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.46 4.91 0.00 2.78 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 21 L 7.44 4.81 0.00 1.59 1.57 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.00 4.86 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.97 0.00 0.00 23 G 8.94 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 V 8.69 4.35 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 0.94 0.00 0.00 0.92 0.00 0.00 25 D 8.36 4.65 0.00 2.82 2.63 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 26 C 7.77 4.89 0.00 2.87 3.03 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 27 K 9.13 4.86 0.00 1.61 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 28 T 8.56 4.35 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 29 P 0.00 4.54 0.00 2.12 2.10 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 30 T 8.74 4.49 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 1.25 0.00 0.00 31 I 6.98 4.49 1.82 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 0.91 0.42 0.89 0.00 0.00 32 A 8.32 4.16 1.23 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 0.00 0.00 33 V 7.89 4.30 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 0.88 0.00 0.00 0.53 0.00 0.00 34 D 8.24 4.50 0.00 2.77 2.77 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 35 T 7.56 4.86 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 1.23 0.00 0.00 36 G 8.59 3.68 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 0.00 0.00 0.00 37 A 8.12 4.03 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 38 I 7.99 3.72 2.05 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 1.44 0.73 0.95 0.00 0.00 39 F 8.57 4.50 0.00 3.16 3.19 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 0.00 40 Q 8.81 3.71 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 41 A 8.14 3.98 1.42 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 42 H 8.60 4.10 0.00 3.37 3.61 0.00 5.79 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 43 C 8.17 4.17 0.00 2.88 3.03 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 44 A 8.17 4.10 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 45 S 7.77 4.36 0.00 4.06 4.01 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 0.00 0.00 0.00 46 K 7.23 4.40 0.00 1.99 1.83 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.33 7.81 47 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.26 4.86 0.00 3.70 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 49 K 9.08 4.59 0.00 1.40 1.39 0.00 1.17 0.00 0.00 0.79 0.00 0.00 2.47 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.10 1.12 7.81 50 P 0.00 4.34 0.00 0.51 0.85 0.00 3.40 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 51 L 9.25 5.18 0.00 1.56 1.55 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.09 5.32 0.00 2.91 3.38 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 53 C 9.36 6.19 0.00 2.88 3.25 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 0.00 54 V 8.39 4.51 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 0.45 0.00 0.00 0.93 0.00 0.00 55 A 8.62 3.96 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 56 P 0.00 4.08 0.00 2.06 2.07 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 57 V 8.42 4.10 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 0.99 0.00 0.00 1.01 0.00 0.00 58 A 8.28 4.77 1.25 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 0.00 0.00 0.00 59 D 7.79 4.46 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 3.68 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 61 A 7.56 4.35 1.25 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 0.00 0.00 0.00 62 L 7.50 4.41 0.00 1.81 1.60 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.48 4.98 0.00 1.79 1.91 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 64 C 9.97 5.59 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.42 4.63 0.00 1.41 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 66 K 8.73 4.19 0.00 1.82 1.88 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 67 A 8.27 4.33 1.44 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 68 I 8.27 3.81 1.91 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 1.37 0.87 0.94 0.00 0.00 69 G 10.59 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 0.00 0.00 0.00 70 T 7.78 4.43 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 1.16 0.00 0.00 71 F 8.91 4.18 0.00 3.02 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