NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3865 8.2644 123.5827 51.5219 21.0556 176.3275 3 K 4.2524 7.5583 117.2221 56.6168 35.3658 173.2673 4 H 3.3585 9.6592 109.3165 57.1309 29.8659 174.3329 5 P 4.5348 0.0000 0.0000 63.1556 32.8251 175.7320 6 V 4.2181 7.5282 115.2201 61.5798 33.9477 170.5569 7 P 4.3924 0.0000 0.0000 62.7077 31.7202 176.3914 8 K 4.3256 8.4698 121.7677 57.1512 32.9386 176.7070 9 K 4.5653 7.6448 116.6684 54.4946 36.0463 175.4804 10 K 3.7746 8.7972 124.2172 57.2491 32.4369 175.9242 11 T 4.2784 8.3107 116.2370 60.6523 70.1301 175.3675 12 S 4.3273 8.4147 119.6838 58.2627 65.0852 174.9150 13 K 3.7800 8.8184 121.4567 60.0279 31.7487 179.1034 14 A 3.8706 7.8571 119.6048 55.7839 18.6085 179.5850 15 R 3.8087 9.1814 117.6925 59.1463 29.9263 178.7674 16 R 3.8366 8.2675 118.4301 59.5838 30.4425 177.7644 17 D 4.4619 8.6998 118.6423 57.3437 40.8371 178.5948 18 A 3.9435 8.6501 121.5569 55.4460 18.1098 179.5898 19 R 3.9054 7.6924 115.5181 59.3157 30.3090 177.8575 20 R 3.9049 7.7581 116.5621 55.8508 29.9676 178.1858 21 S 4.2180 7.7530 114.6020 60.4600 63.0103 174.5267 22 H 4.8412 7.8793 116.5959 56.0803 29.0700 174.5224 23 H 4.5703 8.0845 116.8950 56.5082 29.1237 175.7653 24 A 4.0026 8.0208 122.1042 52.5780 18.4912 177.0384 25 L 4.2076 8.3856 122.6251 54.5616 42.5656 176.2850 26 T 4.4373 8.2286 117.7841 59.5214 68.5086 172.7054 27 P 4.4432 0.0000 0.0000 61.6867 32.0234 174.3904 28 P 4.3246 0.0000 0.0000 63.2778 31.4284 175.3307 29 T 4.4322 8.3131 114.3131 60.7274 68.3169 173.4671 30 L 5.0364 8.0528 127.0378 53.7644 46.4731 175.4351 31 V 4.1118 9.0723 111.7400 61.8733 35.0758 173.8413 32 P 3.4950 0.0000 0.0000 63.7025 31.4534 176.8302 33 C 4.0151 9.9274 134.4578 59.8757 30.8134 170.8854 34 P 4.2530 0.0000 0.0000 65.7005 31.2018 178.0347 35 E 4.1253 8.2086 115.3372 58.8687 29.7887 177.8344 36 C 4.8337 7.2445 115.2163 55.0796 41.6152 175.1256 37 K 4.1677 8.5567 120.5511 57.1575 31.7389 177.2437 38 A 4.5866 7.5681 124.6892 52.7955 20.6741 178.1868 39 M 5.5553 8.0024 111.2100 53.9211 33.8166 175.2963 40 K 4.5627 8.3633 122.2906 54.2913 34.4963 174.3652 41 P 4.8785 0.0000 0.0000 61.5081 31.9900 174.5606 42 P 4.2172 0.0000 0.0000 64.7585 31.8031 175.4109 43 H 4.2110 9.0012 115.5616 56.8057 25.7097 175.0098 44 T 4.7534 7.7435 106.6746 59.8294 71.6268 173.6174 45 V 4.2642 8.2687 123.2339 63.4974 32.5259 175.0035 46 C 4.5824 8.8244 122.8277 59.2939 34.1750 174.7253 47 P 4.0380 0.0000 0.0000 63.8228 29.5675 175.2675 48 E 4.6574 8.4008 128.7387 57.1889 37.1639 180.8071 49 C 3.4563 9.5257 126.3335 59.4360 41.6248 176.3968 50 G 3.7876 8.2959 105.4698 45.9768 0.0000 175.9279 51 Y 4.9021 8.4214 121.4358 56.0873 41.4185 173.5491 52 Y 4.0788 8.4747 121.8095 57.4058 36.7866 175.8754 53 A 3.6264 8.5149 134.0529 53.4718 15.8926 177.7959 54 G 3.8096 7.5213 107.2793 44.1831 0.0000 173.0434 55 R 4.0950 8.2130 122.6230 56.1173 30.9548 175.2774 56 K 4.3103 8.0970 116.6954 55.4376 34.8473 174.9527 57 V 3.3086 7.6982 111.1078 64.1284 32.0654 176.0483 58 L 4.4423 7.2435 119.3197 54.7424 45.6040 173.9320 59 E 4.7499 8.2223 116.6087 55.7096 31.8459 175.6310 60 V 3.9828 8.2233 119.4636 63.2233 31.9453 175.1297 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 2 A 8.26 4.39 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.25 0.00 1.72 1.62 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.53 7.81 4 H 9.66 3.36 0.00 3.20 2.99 0.00 5.77 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.53 0.00 2.05 1.99 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 6 V 7.53 4.22 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 0.72 0.00 0.00 1.00 0.00 0.00 7 P 0.00 4.39 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 8.47 4.33 0.00 1.71 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 9 K 7.64 4.57 0.00 1.73 1.64 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.80 3.77 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 T 8.31 4.28 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 12 S 8.41 4.33 0.00 4.07 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 13 K 8.82 3.78 0.00 1.81 1.89 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.86 3.87 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 15 R 9.18 3.81 0.00 1.80 1.93 0.00 3.10 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 8.27 3.84 0.00 1.79 2.24 0.00 3.33 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 17 D 8.70 4.46 0.00 2.77 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 18 A 8.65 3.94 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 19 R 7.69 3.91 0.00 1.97 2.14 0.00 3.28 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 20 R 7.76 3.90 0.00 1.93 1.78 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 21 S 7.75 4.22 0.00 3.87 3.97 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 22 H 7.88 4.84 0.00 3.19 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.08 4.57 0.00 3.25 3.35 0.00 5.88 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 24 A 8.02 4.00 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 25 L 8.39 4.21 0.00 1.66 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.23 4.44 4.25 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 1.22 0.00 0.00 27 P 0.00 4.44 0.00 2.22 2.04 0.00 3.83 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 28 P 0.00 4.32 0.00 2.21 2.11 0.00 3.75 0.00 0.00 3.59 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 29 T 8.31 4.43 4.25 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 1.22 0.00 0.00 30 L 8.05 5.04 0.00 1.51 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.07 4.11 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 0.67 0.00 0.00 1.04 0.00 0.00 32 P 0.00 3.50 0.00 2.05 1.79 0.00 3.54 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 2.09 2.12 0.00 33 C 9.93 4.02 0.00 2.99 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 1.98 2.03 0.00 3.62 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 1.86 2.01 0.00 35 E 8.21 4.13 0.00 1.98 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 36 C 7.24 4.83 0.00 3.11 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 37 K 8.56 4.17 0.00 1.85 1.90 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 A 7.57 4.59 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 39 M 8.00 5.56 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 40 K 8.36 4.56 0.00 1.69 1.75 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 41 P 0.00 4.88 0.00 2.10 2.07 0.00 3.43 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 2.02 1.86 0.00 42 P 0.00 4.22 0.00 2.21 2.13 0.00 3.84 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 2.16 0.00 43 H 9.00 4.21 0.00 3.37 3.49 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.74 4.75 4.30 0.00 0.00 0.00 0.00 0.00 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 45 V 8.27 4.26 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 0.86 0.00 0.00 0.84 0.00 0.00 46 C 8.82 4.58 0.00 2.98 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 47 P 0.00 4.04 0.00 2.14 2.15 0.00 3.79 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 2.02 2.16 0.00 48 E 8.40 4.66 0.00 2.18 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 2.16 2.25 0.00 49 C 9.53 3.46 0.00 3.05 3.21 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 0.00 50 G 8.30 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 4.90 0.00 2.35 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 4.08 0.00 3.17 3.04 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 53 A 8.51 3.63 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 54 G 7.52 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 0.00 0.00 0.00 55 R 8.21 4.09 0.00 1.68 1.79 0.00 3.30 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 56 K 8.10 4.31 0.00 1.72 1.65 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.41 7.81 57 V 7.70 3.31 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 0.71 0.00 0.00 0.94 0.00 0.00 58 L 7.24 4.44 0.00 1.55 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.22 4.75 0.00 2.03 1.88 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 2.16 2.26 0.00 60 V 8.22 3.98 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 0.82 0.00 0.00 0.93 0.00 0.00