NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2734 8.1749 110.9325 61.3809 70.0973 173.1489 6 L 4.4707 8.2051 123.8286 53.7462 43.3333 170.9355 7 V 4.4148 9.0258 115.6209 59.1398 35.5738 175.4885 8 K 4.4357 8.5139 122.1127 56.9981 33.3197 175.5249 9 C 4.6584 8.4829 120.1766 57.9139 33.3436 173.5199 10 A 4.2544 8.2038 123.5320 52.7686 18.0755 177.0607 11 C 4.6916 7.6511 115.0665 58.2063 29.5153 174.1841 12 E 3.9215 9.0455 125.4153 59.2533 29.1102 176.6515 13 P 4.4115 0.0000 0.0000 63.5276 31.5306 175.5858 14 C 4.2656 7.8191 121.1356 59.6493 31.6458 172.8840 15 L 4.4858 8.4663 126.0384 54.9327 41.5657 176.5072 16 C 4.3179 7.8072 116.7689 59.5000 28.8335 172.9012 17 N 4.8732 8.5611 120.3978 52.0485 39.7863 174.1793 18 V 4.4381 8.3659 117.2656 59.5294 35.8050 174.2001 19 D 5.1965 8.3597 120.1492 52.0811 43.9326 174.6403 20 P 4.6828 0.0000 0.0000 63.2202 31.9774 176.5820 21 S 4.3752 7.8725 113.4084 59.4228 62.8361 174.1536 22 K 4.2956 7.9017 118.8737 56.7453 33.7143 175.6525 23 A 4.4013 7.6162 120.8105 51.6487 19.3146 178.1554 24 I 4.2112 8.1768 121.1508 60.2942 35.5393 173.4949 25 D 5.0956 7.9848 121.3278 51.6374 40.6469 177.2733 26 R 4.2275 8.5089 123.7642 57.9206 31.3864 176.9895 27 N 4.8637 7.5515 113.5169 52.3009 38.9437 174.8072 28 G 3.8632 8.2765 106.5894 44.7840 0.0000 171.5251 29 L 3.7874 7.2065 122.0369 53.0198 44.7418 174.3898 30 Y 4.5967 6.5681 123.8027 57.1664 39.8651 173.8309 31 Y 4.8877 8.2489 122.2162 56.1928 40.2861 175.8926 32 C 4.1105 9.3912 120.2771 59.8879 29.9477 175.2313 33 S 4.7174 7.5816 112.9490 55.4541 65.7178 174.6113 34 E 3.9128 8.6483 122.1611 59.4895 28.9442 179.4522 35 A 3.8889 7.9102 120.1594 55.4112 18.1741 179.2494 36 C 4.0941 7.9903 114.0734 62.2705 28.1047 175.8517 37 A 2.0000 6.9854 121.1435 54.2059 18.0616 179.0465 38 D 4.3167 8.2784 117.1055 55.0331 40.9190 176.8452 39 G 3.6539 7.3120 106.9613 47.5618 0.0000 172.8026 40 H 3.8881 8.0638 112.0913 56.2229 27.0524 175.9354 41 T 3.8571 7.7683 107.3605 62.6209 69.3466 172.8573 42 G 3.9016 8.4757 110.6791 46.8726 0.0000 177.1731 43 G 3.8891 7.9441 111.4693 44.1755 0.0000 172.2406 44 S 4.0541 8.2478 116.9036 59.5622 62.5187 175.4824 45 K 4.2466 8.3435 122.7740 55.9078 34.0380 177.0588 46 G 3.8734 8.0213 110.8324 46.2224 0.0000 172.8108 47 C 4.6907 8.1927 109.6582 57.7124 29.8801 176.3541 48 G 3.8956 8.5049 109.6297 46.5424 0.0000 173.2018 49 H 4.9678 6.8830 114.2597 53.3680 30.9029 173.3292 50 T 3.9787 8.3875 113.5922 63.0861 67.6062 174.5195 51 G 3.9126 8.7351 115.1117 46.3963 0.0000 172.5607 52 C 4.3416 7.6473 120.0220 58.1122 31.4200 173.6910 53 N 4.6830 8.4058 130.6859 53.1678 38.7366 174.9179 54 C 4.2293 7.7562 113.5766 58.0990 31.1015 173.5589 55 H 4.8976 8.2485 121.2549 54.4850 30.7227 175.4864 56 G 4.1025 8.4052 107.8221 45.2952 0.0000 172.7889 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 5 T 8.17 4.27 4.21 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 1.19 0.00 0.00 6 L 8.21 4.47 0.00 1.59 1.57 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.03 4.41 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 0.39 0.00 0.00 0.17 0.00 0.00 8 K 8.51 4.44 0.00 1.67 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 9 C 8.48 4.66 0.00 3.01 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 10 A 8.20 4.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.69 0.00 3.17 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 12 E 9.05 3.92 0.00 1.96 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 2.33 2.32 0.00 13 P 0.00 4.41 0.00 2.09 2.09 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 14 C 7.82 4.27 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 15 L 8.47 4.49 0.00 1.67 1.68 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.81 4.32 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.87 0.00 2.55 2.72 0.00 0.00 6.80 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 18 V 8.37 4.44 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 0.70 0.00 0.00 1.01 0.00 0.00 19 D 8.36 5.20 0.00 2.73 2.44 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 20 P 0.00 4.68 0.00 2.25 1.73 0.00 3.70 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 21 S 7.87 4.38 0.00 3.83 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 22 K 7.90 4.30 0.00 1.70 1.78 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.47 7.81 23 A 7.62 4.40 1.49 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 24 I 8.18 4.21 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.98 0.00 0.00 25 D 7.98 5.10 0.00 2.83 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 26 R 8.51 4.23 0.00 1.90 2.05 0.00 3.26 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 27 N 7.55 4.86 0.00 2.62 2.65 0.00 0.00 7.13 7.97 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 28 G 8.28 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 29 L 7.21 3.79 0.00 1.46 1.20 0.58 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 6.57 4.60 0.00 2.94 2.86 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 31 Y 8.25 4.89 0.00 2.99 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 32 C 9.39 4.11 0.00 3.18 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 33 S 7.58 4.72 0.00 4.02 3.78 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 34 E 8.65 3.91 0.00 2.01 2.13 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 2.36 2.38 0.00 35 A 7.91 3.89 1.26 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 0.00 0.00 0.00 36 C 7.99 4.09 0.00 3.19 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 A 6.99 2.00 0.94 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 0.00 0.00 38 D 8.28 4.32 0.00 2.48 2.65 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 0.00 0.00 0.00 0.00 39 G 7.31 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.06 3.89 0.00 3.24 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.77 3.86 4.22 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 1.23 0.00 0.00 42 G 8.48 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 0.00 0.00 0.00 43 G 7.94 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 44 S 8.25 4.05 0.00 3.87 3.70 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 45 K 8.34 4.25 0.00 1.74 1.73 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.37 7.81 46 G 8.02 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 0.00 0.00 0.00 47 C 8.19 4.69 0.00 3.07 3.18 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 0.00 0.00 0.00 0.00 48 G 8.50 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 0.00 0.00 0.00 49 H 6.88 4.97 0.00 3.19 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.39 3.98 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 1.23 0.00 0.00 51 G 8.74 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 0.00 0.00 0.00 52 C 7.65 4.34 0.00 3.04 2.87 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 53 N 8.41 4.68 0.00 2.73 2.77 0.00 0.00 7.29 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 54 C 7.76 4.23 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.90 0.00 3.14 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.41 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