NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.8716 8.0093 121.2716 59.9094 39.7353 174.7983 4 K 4.2563 7.3190 122.3559 55.4104 34.4420 171.4958 5 V 4.3430 8.8770 114.7568 59.9044 35.9628 176.4008 6 R 4.4372 8.5474 123.8213 54.3906 30.8893 174.8521 7 E 4.2185 8.2760 122.5700 55.1211 31.8235 175.0310 8 N 4.9581 7.6877 125.7272 53.1237 37.4693 176.0239 9 E 4.3191 9.2410 124.6089 58.5701 30.2503 174.2354 10 P 5.1121 0.0000 0.0000 58.8079 33.6772 175.5737 11 F 4.6481 8.8177 114.4576 58.3877 40.8349 172.7631 12 D 4.5354 8.0607 127.8812 55.1325 39.0644 177.4961 13 V 4.0063 7.1582 118.2280 60.5064 32.6480 176.2109 14 A 4.0295 8.6848 123.9945 55.3838 18.3590 179.4097 15 L 3.7231 7.9453 110.7613 55.6568 39.6039 175.9271 16 R 4.3982 7.3832 120.7025 55.4218 28.5310 175.7050 17 R 4.4820 7.8473 117.3875 55.8141 30.9489 178.5382 18 F 4.3101 8.2457 123.4534 61.3052 39.7572 177.6373 19 K 4.1357 8.1907 119.5661 59.3504 32.0775 178.6265 20 R 4.3627 7.5595 113.7955 56.9173 29.5758 176.7572 21 S 4.7315 7.8503 112.0235 58.3476 64.2468 173.4315 22 C 4.8751 7.7912 117.7295 60.8951 37.2648 178.1789 23 E 4.4401 8.5087 124.2971 54.9540 30.1287 175.3161 24 K 3.5634 8.8724 123.4869 58.2700 32.2236 175.8742 25 A 3.8705 8.7256 115.8671 54.9998 17.8187 178.7138 26 G 3.9505 6.9380 101.3409 48.0622 0.0000 174.7493 27 V 4.0312 7.5398 118.5712 63.3280 32.3319 178.3208 28 L 4.0784 8.4485 118.4602 57.4650 41.5245 178.6106 29 A 4.2068 7.5229 119.7914 54.3136 18.4640 179.1073 30 E 4.1525 7.9820 117.1391 58.7441 31.2319 178.1544 31 V 4.0971 7.2038 120.0863 60.9884 29.8496 175.9774 32 R 4.6202 7.7137 117.5355 56.3147 32.1360 174.5899 33 R 4.3434 7.8464 115.6074 55.4979 32.4861 173.8501 34 R 3.9046 8.6815 114.0795 56.7603 30.9109 177.4706 35 E 3.8759 8.5824 120.8131 58.3982 30.7788 179.4507 36 F 3.5075 8.3474 117.6459 56.1604 37.4563 175.0421 37 Y 3.4094 9.2091 129.5680 57.1017 38.4343 167.6868 38 E 4.8571 8.6746 119.7852 56.0669 31.3776 177.5008 39 K 4.4657 8.3494 118.4246 57.6682 33.3297 176.2036 40 P 3.7570 0.0000 0.0000 65.4343 30.8145 178.1481 41 T 4.0164 8.0616 108.8242 63.8839 68.8433 175.1433 42 T 4.4001 8.7022 113.2223 64.1123 70.2108 175.8186 43 E 3.9885 8.2366 121.2832 59.2647 29.2884 178.9333 44 R 4.0870 7.9672 119.5228 58.0704 29.0769 178.5292 45 K 4.1521 7.8001 119.9224 58.4983 32.3242 177.3396 46 R 3.7953 8.0945 116.5336 56.3661 29.8777 176.4124 47 A 4.4834 7.4438 118.4640 52.9619 18.7564 177.9498 48 K 4.3930 7.7750 120.2542 58.1618 35.1813 178.3343 49 A 3.9594 7.5260 119.2638 54.8195 18.3084 178.1450 50 S 4.5112 7.7090 109.3364 58.7473 63.5973 174.1370 51 A 4.8511 8.0392 122.9376 51.5021 18.5989 175.6524 52 V 4.3213 7.4594 121.3478 62.1905 33.8209 176.3754 53 K 4.1074 7.7387 124.1608 55.9722 32.9048 175.7876 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 3 I 8.01 3.87 1.64 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.80 0.00 0.00 4 K 7.32 4.26 0.00 1.89 1.74 0.00 1.40 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.49 7.81 5 V 8.88 4.34 2.12 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 0.90 0.00 0.00 0.98 0.00 0.00 6 R 8.55 4.44 0.00 1.73 1.84 0.00 3.19 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 7 E 8.28 4.22 0.00 1.19 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 2.19 2.28 0.00 8 N 7.69 4.96 0.00 2.57 1.78 0.00 0.00 7.01 7.66 0.00 0.00 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 E 9.24 4.32 0.00 2.13 2.11 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 2.24 2.29 0.00 10 P 0.00 5.11 0.00 2.25 2.14 0.00 3.66 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 1.94 2.08 0.00 11 F 8.82 4.65 0.00 3.34 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 12 D 8.06 4.54 0.00 2.57 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 13 V 7.16 4.01 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 0.76 0.00 0.00 0.95 0.00 0.00 14 A 8.68 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 15 L 7.95 3.72 0.00 1.86 1.81 1.17 0.90 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 16 R 7.38 4.40 0.00 1.84 1.91 0.00 3.28 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 17 R 7.85 4.48 0.00 1.90 1.92 0.00 3.17 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 18 F 8.25 4.31 0.00 3.08 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 19 K 8.19 4.14 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.43 7.81 20 R 7.56 4.36 0.00 2.04 1.98 0.00 3.29 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 21 S 7.85 4.73 0.00 3.97 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 22 C 7.79 4.88 0.00 2.99 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 23 E 8.51 4.44 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 24 K 8.87 3.56 0.00 1.88 1.63 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.42 7.81 25 A 8.73 3.87 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 26 G 6.94 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 27 V 7.54 4.03 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 1.13 0.00 0.00 0.93 0.00 0.00 28 L 8.45 4.08 0.00 1.73 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.52 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 4.15 0.00 1.99 2.23 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 2.31 2.35 0.00 31 V 7.20 4.10 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 0.81 0.00 0.00 0.95 0.00 0.00 32 R 7.71 4.62 0.00 1.78 1.98 0.00 3.34 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 33 R 7.85 4.34 0.00 1.75 1.64 0.00 3.26 0.00 0.00 3.08 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 34 R 8.68 3.90 0.00 1.62 1.77 0.00 3.12 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 35 E 8.58 3.88 0.00 2.08 2.25 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 2.43 2.52 0.00 36 F 8.35 3.51 0.00 3.21 2.95 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 37 Y 9.21 3.41 0.00 3.19 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 38 E 8.67 4.86 0.00 2.08 1.97 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 2.26 2.42 0.00 39 K 8.35 4.47 0.00 2.22 2.42 0.00 1.61 0.00 0.00 1.91 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.56 1.63 7.81 40 P 0.00 3.76 0.00 2.17 2.06 0.00 3.78 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 41 T 8.06 4.02 4.28 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 1.34 0.00 0.00 42 T 8.70 4.40 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 1.26 0.00 0.00 43 E 8.24 3.99 0.00 2.01 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 2.50 2.63 0.00 44 R 7.97 4.09 0.00 1.96 1.95 0.00 3.07 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 45 K 7.80 4.15 0.00 1.95 1.97 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.55 7.81 46 R 8.09 3.80 0.00 1.92 1.88 0.00 3.15 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 47 A 7.44 4.48 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 48 K 7.78 4.39 0.00 1.77 1.71 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.47 7.81 49 A 7.53 3.96 1.29 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 0.00 0.00 0.00 50 S 7.71 4.51 0.00 3.89 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 51 A 8.04 4.85 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 52 V 7.46 4.32 2.23 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 0.87 0.00 0.00 0.93 0.00 0.00 53 K 7.74 4.11 0.00 1.72 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81