NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9288 8.1293 121.6790 57.9750 38.5835 174.0819 2 D 4.2861 8.3885 123.9815 51.7077 39.9987 176.2319 3 G 3.8511 8.6507 108.6387 46.2523 0.0000 175.3546 4 Q 4.3081 8.5653 117.5417 55.5089 29.1211 175.3348 5 N 4.7326 7.9244 117.4076 51.9754 38.8086 173.3203 6 C 5.0145 8.3697 122.4763 54.7331 41.8635 174.7370 7 K 4.0125 8.4200 124.4647 59.5324 32.7206 176.8886 8 E 4.7208 7.7202 116.6462 53.8033 33.5272 172.4022 9 P 4.3251 0.0000 0.0000 64.4143 31.5512 177.2341 10 G 3.9394 9.1983 110.8666 45.5901 0.0000 173.1517 11 N 4.8842 8.4082 118.5368 51.6880 39.1342 173.2695 12 C 5.0859 8.4931 117.3699 55.6251 41.5847 174.3535 13 W 4.3751 7.6050 127.2803 57.5962 30.8123 175.0976 14 E 3.8083 5.9000 122.2978 53.7838 32.9746 175.0496 15 N 3.7694 7.1993 119.4074 52.1143 38.4446 175.2632 16 K 4.1896 8.1258 120.0923 54.9324 33.0643 174.7104 17 P 4.4054 0.0000 0.0000 64.8564 31.1531 176.7913 18 G 3.8704 9.2576 111.4841 45.0353 0.0000 172.3183 19 Y 4.7918 7.6645 116.8411 55.1143 40.4869 173.9829 20 P 4.6474 0.0000 0.0000 62.6062 32.3293 176.5317 21 E 4.3823 8.7951 119.3152 58.5796 29.8060 177.7517 22 K 4.6870 7.8388 117.0241 54.5020 35.5657 176.2108 23 I 4.0693 8.3873 115.9707 62.0638 38.4602 175.7470 24 A 4.2430 7.8670 124.9962 53.6273 18.4396 177.7334 25 G 3.9296 9.6512 112.6299 45.2450 0.0000 173.5864 26 S 4.5846 7.7780 115.2251 56.4315 64.7832 174.8025 27 K 4.0832 8.2045 117.7374 58.3625 32.3104 176.9120 28 Y 4.7745 7.4932 116.6315 57.7429 38.2298 175.0592 29 D 4.4929 7.8618 121.4113 53.7651 41.3579 174.8026 30 P 4.2315 0.0000 0.0000 63.7050 31.9775 176.1845 31 K 3.7858 8.2076 117.9603 57.4236 30.1064 175.0940 32 H 4.3349 7.8313 113.7922 55.8597 29.7791 175.7550 33 D 4.6242 8.5654 122.4344 52.9147 42.1296 175.3091 34 P 4.2177 0.0000 0.0000 65.8654 31.1201 178.6555 35 V 3.5878 8.0896 116.3215 66.0563 31.7158 177.7197 36 E 4.1119 8.0805 117.7976 59.3979 29.2230 178.9661 37 L 3.9934 7.8858 118.0394 57.7150 42.0058 178.5357 38 N 4.6701 8.1151 114.0646 53.6823 38.7081 177.2069 39 K 3.9902 7.9083 121.8284 59.4793 32.1002 179.1105 40 Q 4.0629 7.9316 119.1742 58.4021 28.7591 178.2000 41 E 3.9293 8.1185 119.7904 59.3179 29.8326 178.5011 42 E 3.9877 8.1898 118.8659 59.3731 29.2499 179.5003 43 S 4.1362 8.2371 114.3285 61.6366 63.0719 176.6247 44 I 3.7081 7.9336 123.6434 63.6608 36.8400 178.3080 45 K 3.8704 8.1400 120.3017 59.5319 32.0758 178.7684 46 A 3.9892 7.8846 120.7621 55.2541 18.2609 179.2720 47 M 3.9559 8.3902 117.0913 58.9857 32.3380 178.1503 48 D 4.3551 8.6607 119.1747 57.3104 40.9955 178.7671 49 A 3.9723 7.8843 120.8069 55.1310 18.4932 179.9020 50 R 3.7847 7.9559 116.6048 59.4888 30.0528 179.0956 51 N 4.3105 8.3372 116.0758 56.1821 38.4410 177.2321 52 A 3.9636 8.1391 122.2656 55.0933 18.3702 179.6238 53 K 3.8125 7.9360 117.8972 59.6122 32.2636 179.3083 54 R 3.6032 7.7380 118.0755 59.1473 29.9336 179.1188 55 I 3.7608 8.0156 119.6041 64.3118 37.1379 178.4029 56 A 3.9421 8.1870 121.8328 55.1583 18.1452 179.1799 57 N 4.1667 8.4373 115.7860 56.7567 38.9096 176.9645 58 A 4.5471 7.9133 123.5397 54.4685 18.2225 179.5670 59 K 3.9091 7.8427 117.6139 59.6816 32.3989 178.9451 60 S 4.2985 8.0300 113.6789 60.9987 63.2306 175.9147 61 S 4.4029 8.3466 116.9624 58.5188 63.4201 175.4523 62 G 4.0345 8.8395 110.4610 44.8328 0.0000 172.8963 63 N 5.0584 7.8893 116.4803 51.1709 41.8043 173.1185 64 F 4.5960 8.8069 124.3107 57.0283 40.3749 174.9632 65 V 4.4693 7.3729 126.8703 60.9237 33.9501 174.8301 66 F 4.2619 9.2792 129.6480 61.1560 39.6041 175.5001 67 D 4.6271 7.9667 121.7829 52.2596 39.2483 173.9549 68 V 4.2959 7.0828 119.9066 59.4884 33.7032 176.6610 69 K 3.9452 8.4060 124.5712 56.9965 31.9049 174.3209 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 Y 8.13 4.93 0.00 2.64 2.90 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 2 D 8.39 4.29 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 3.85 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 0.00 0.00 0.00 4 Q 8.57 4.31 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 5 N 7.92 4.73 0.00 2.66 3.01 0.00 0.00 7.01 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 6 C 8.37 5.01 0.00 3.02 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.01 0.00 1.87 1.98 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.46 7.81 8 E 7.72 4.72 0.00 2.03 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 2.32 2.36 0.00 9 P 0.00 4.33 0.00 2.05 2.02 0.00 3.74 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 2.04 2.10 0.00 10 G 9.20 3.94 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 0.00 11 N 8.41 4.88 0.00 2.71 2.81 0.00 0.00 6.99 7.79 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 12 C 8.49 5.09 0.00 3.08 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 13 W 7.61 4.38 0.00 3.24 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 5.90 3.81 0.00 1.38 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 2.01 2.32 0.00 15 N 7.20 3.77 0.00 2.95 2.82 0.00 0.00 6.14 7.13 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 16 K 8.13 4.19 0.00 1.65 1.78 0.00 1.33 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.28 7.81 17 P 0.00 4.41 0.00 2.22 2.12 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 18 G 9.26 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 19 Y 7.66 4.79 0.00 3.13 2.96 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 0.00 0.00 0.00 0.00 20 P 0.00 4.65 0.00 2.54 2.16 0.00 4.15 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 21 E 8.80 4.38 0.00 2.07 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 0.00 2.51 2.37 0.00 22 K 7.84 4.69 0.00 1.73 1.69 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.46 7.81 23 I 8.39 4.07 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 1.02 0.00 0.00 24 A 7.87 4.24 1.27 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 0.00 0.00 0.00 25 G 9.65 3.93 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 0.00 0.00 0.00 26 S 7.78 4.58 0.00 4.02 4.07 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 27 K 8.20 4.08 0.00 1.63 1.76 0.00 1.25 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.81 0.28 7.81 28 Y 7.49 4.77 0.00 3.09 2.96 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 0.00 0.00 0.00 0.00 29 D 7.86 4.49 0.00 2.90 2.59 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 30 P 0.00 4.23 0.00 1.60 2.05 0.00 3.94 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 31 K 8.21 3.79 0.00 1.85 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.55 7.81 32 H 7.83 4.33 0.00 3.15 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.57 4.62 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 4.22 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 35 V 8.09 3.59 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 36 E 8.08 4.11 0.00 2.17 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 2.40 2.35 0.00 37 L 7.89 3.99 0.00 1.76 1.72 0.93 0.83 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 38 N 8.12 4.67 0.00 2.78 2.83 0.00 0.00 6.99 7.13 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 39 K 7.91 3.99 0.00 1.91 1.86 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.79 7.81 40 Q 7.93 4.06 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 41 E 8.12 3.93 0.00 2.02 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 0.00 2.37 2.40 0.00 42 E 8.19 3.99 0.00 2.19 1.98 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 2.57 2.46 0.00 43 S 8.24 4.14 0.00 4.05 4.12 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 44 I 7.93 3.71 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.91 0.00 0.00 45 K 8.14 3.87 0.00 1.93 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 7.88 3.99 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 47 M 8.39 3.96 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 48 D 8.66 4.36 0.00 2.90 2.70 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 49 A 7.88 3.97 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 50 R 7.96 3.78 0.00 1.99 1.85 0.00 3.04 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 51 N 8.34 4.31 0.00 2.88 2.90 0.00 0.00 6.94 7.12 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 52 A 8.14 3.96 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 53 K 7.94 3.81 0.00 1.90 1.88 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 54 R 7.74 3.60 0.00 2.00 1.50 0.00 3.00 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 55 I 8.02 3.76 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.91 0.95 0.00 0.00 56 A 8.19 3.94 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 57 N 8.44 4.17 0.00 2.66 2.83 0.00 0.00 7.15 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 58 A 7.91 4.55 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 3.91 0.00 1.89 2.03 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 60 S 8.03 4.30 0.00 4.06 3.96 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 0.00 0.00 0.00 0.00 61 S 8.35 4.40 0.00 4.01 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 62 G 8.84 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 63 N 7.89 5.06 0.00 2.80 2.71 0.00 0.00 6.46 7.61 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 64 F 8.81 4.60 0.00 3.06 2.97 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 65 V 7.37 4.47 1.95 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 0.89 0.00 0.00 0.92 0.00 0.00 66 F 9.28 4.26 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.63 0.00 2.78 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 68 V 7.08 4.30 1.94 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 0.53 0.00 0.00 0.84 0.00 0.00 69 K 8.41 3.95 0.00 1.62 1.60 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.31 7.81