NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4742 8.3049 120.3542 54.8090 34.1848 175.4919 2 K 3.8836 7.8311 116.3189 51.6136 32.7798 174.1697 3 K 3.7259 6.8146 116.1253 60.8745 33.5882 179.4533 4 D 4.0658 7.2652 115.7911 57.4776 43.4041 177.0786 5 I 3.8064 7.8476 119.2569 64.5875 37.2082 176.0274 6 H 4.8405 7.9098 117.2105 53.5706 31.9861 173.0972 7 P 4.3814 0.0000 0.0000 63.1106 31.3133 179.6078 8 K 4.6252 7.8876 123.9340 57.6266 36.5647 174.6421 9 Y 4.4074 8.8518 126.3236 56.4539 43.8184 173.6475 10 E 3.7576 9.6592 112.1032 57.1319 28.3566 174.3113 11 E 4.2799 5.9000 115.5704 55.1863 31.3625 176.3132 12 I 4.8327 7.8831 115.7982 60.4623 39.6711 173.9396 13 T 4.4346 8.0467 115.0591 61.6737 70.7959 170.9832 14 A 5.1939 8.5172 125.7840 49.6772 20.8669 177.1935 15 S 4.5299 8.5992 118.1467 56.7061 61.7364 173.5893 16 C 4.5922 8.4360 123.1003 59.3382 30.4299 174.5063 17 S 4.3395 8.9966 114.7888 58.7406 62.2487 176.1827 18 C 4.4659 9.2719 115.5490 57.3411 27.2760 172.7476 19 G 4.3107 8.8324 118.1562 43.0903 0.0000 170.3763 20 N 4.3394 6.9156 114.2278 51.9384 41.9922 174.2961 21 V 4.4125 8.4727 124.3188 61.4504 34.1367 175.1408 22 M 4.6032 8.4994 128.0213 55.0602 32.8514 175.5901 23 K 4.4582 7.6397 118.7591 55.7584 35.4860 174.6053 24 I 4.9781 7.9555 116.9701 59.9656 41.4283 174.8255 25 R 4.6999 9.2014 127.9832 56.4413 34.1745 175.1404 26 S 4.8782 8.9121 123.5466 59.3343 69.7023 177.8640 27 T 3.8340 9.5633 113.5065 64.1057 69.0812 173.2080 28 V 4.4463 7.9537 118.5434 60.5302 36.4011 175.7195 29 G 3.8604 9.8948 107.1183 46.6169 0.0000 170.5582 30 H 4.7268 7.9471 124.0816 54.9002 37.0291 177.1754 31 D 5.3426 8.7405 118.2273 53.3204 41.5902 173.1121 32 L 4.6365 7.3633 117.6954 57.1357 42.7602 171.2247 33 N 5.3334 8.2948 112.6674 55.3002 39.9341 172.8751 34 L 3.3658 8.6536 113.9044 56.2855 39.6488 173.2996 35 D 4.4861 7.6836 119.4865 51.5795 41.7631 176.4521 36 V 3.6044 8.0977 125.1661 62.9983 31.2225 175.0157 37 C 4.4337 8.5899 123.5888 56.8654 30.5756 174.5648 38 S 4.2333 9.0446 119.7486 61.3877 63.2653 176.9478 39 K 4.5541 7.4297 124.7918 55.2146 31.1427 176.0935 40 C 3.5649 8.5436 116.2916 62.0091 29.1006 173.9787 41 H 4.4708 8.7090 111.7395 53.8181 30.5798 172.6111 42 P 4.0879 0.0000 0.0000 61.3469 30.9532 174.6201 43 F 4.7481 8.6100 125.6485 56.0908 42.1782 174.4455 44 F 4.7952 7.3443 120.9892 55.7166 38.0609 175.2588 45 T 4.0816 8.3155 115.3351 60.6362 70.2926 175.1006 46 G 4.8929 8.0028 112.7327 44.3207 0.0000 172.9427 47 K 4.6210 7.3325 119.2691 57.0744 35.3922 175.1581 48 Q 4.8310 7.9961 115.3568 55.7615 32.1680 173.9303 49 R 4.2525 8.6252 118.0483 58.1778 30.6962 178.2213 50 D 4.6363 8.6855 119.6074 55.0440 41.3452 175.2123 51 V 4.0949 7.6778 116.8308 64.8183 31.9115 177.4684 52 A 4.0219 8.6781 121.0446 55.5403 16.8050 179.5888 53 T 4.0754 7.9800 110.8756 64.7391 67.2823 176.4582 54 G 3.9804 7.6192 108.7459 47.4662 0.0000 175.5313 55 G 3.9926 7.8014 105.6976 46.6470 0.0000 175.0483 56 R 4.0800 7.4179 120.1606 58.1830 30.5634 177.8814 57 V 3.7975 7.3001 112.7385 64.6588 33.3598 177.7771 58 D 5.0473 7.6730 120.0524 53.8261 41.4677 177.6188 59 R 4.3249 10.2406 112.6318 55.4077 30.2862 176.4145 60 F 6.1699 9.1435 134.4170 60.2386 38.9371 174.6703 61 N 4.7531 7.4214 118.3644 55.7159 39.1690 177.3720 62 K 3.5792 8.0120 117.2056 59.6751 32.4407 179.1336 63 R 4.3186 8.1059 115.1219 57.5414 30.2243 176.4745 64 F 5.0871 9.1031 119.8319 57.7849 40.9871 175.5576 65 N 4.3252 7.9532 116.2351 54.9570 38.8604 174.2898 66 I 4.6700 7.5433 116.2054 62.4122 39.0132 175.9788 67 P 4.4578 0.0000 0.0000 63.9118 32.9521 176.7058 68 G 3.2337 7.7110 106.0662 45.1646 0.0000 175.3819 69 S 3.7926 8.8005 126.6115 59.4943 63.0687 174.8498 70 K 4.1934 8.5841 123.9023 56.6652 31.3004 176.5961 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 M 8.30 4.47 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 7.83 3.88 0.00 1.99 1.64 0.00 1.97 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.51 7.81 3 K 6.81 3.73 0.00 2.14 2.26 0.00 1.40 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.67 7.81 4 D 7.27 4.07 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.85 3.81 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.99 0.00 0.00 6 H 7.91 4.84 0.00 3.09 3.26 0.00 5.96 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.38 0.00 2.09 1.86 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 8 K 7.89 4.63 0.00 1.95 1.41 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.21 7.81 9 Y 8.85 4.41 0.00 3.00 2.71 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 0.00 0.00 0.00 0.00 10 E 9.66 3.76 0.00 2.00 1.90 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 2.25 2.31 0.00 11 E 5.90 4.28 0.00 1.16 1.58 0.00 0.00 0.00 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 1.82 0.00 12 I 7.88 4.83 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.06 0.92 0.00 0.00 13 T 8.05 4.43 4.31 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 1.31 0.00 0.00 14 A 8.52 5.19 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 15 S 8.60 4.53 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.44 4.59 0.00 3.01 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 17 S 9.00 4.34 0.00 3.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.27 4.47 0.00 2.98 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 19 G 8.83 4.31 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 0.00 20 N 6.92 4.34 0.00 2.63 2.64 0.00 0.00 6.64 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 21 V 8.47 4.41 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 0.90 0.00 0.00 0.96 0.00 0.00 22 M 8.50 4.60 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 23 K 7.64 4.46 0.00 1.98 1.97 0.00 1.51 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.47 7.81 24 I 7.96 4.98 1.87 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 1.24 0.95 0.91 0.00 0.00 25 R 9.20 4.70 0.00 1.89 1.87 0.00 3.26 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 26 S 8.91 4.88 0.00 3.85 3.56 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 27 T 9.56 3.83 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 1.24 0.00 0.00 28 V 7.95 4.45 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 0.84 0.00 0.00 1.08 0.00 0.00 29 G 9.89 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 30 H 7.95 4.73 0.00 3.05 2.34 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.74 5.34 0.00 2.70 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 32 L 7.36 4.64 0.00 1.80 1.92 0.96 0.20 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 33 N 8.29 5.33 0.00 2.96 3.07 0.00 0.00 6.38 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 34 L 8.65 3.37 0.00 1.69 1.63 0.74 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.68 4.49 0.00 2.85 2.28 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 36 V 8.10 3.60 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 0.79 0.00 0.00 0.88 0.00 0.00 37 C 8.59 4.43 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.04 4.23 0.00 4.05 4.18 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 39 K 7.43 4.55 0.00 1.85 1.68 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.44 7.81 40 C 8.54 3.56 0.00 3.22 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 41 H 8.71 4.47 0.00 3.22 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.09 0.00 2.12 2.09 0.00 3.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 43 F 8.61 4.75 0.00 3.14 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 44 F 7.34 4.80 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.08 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 46 G 8.00 4.89 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 47 K 7.33 4.62 0.00 1.99 2.05 0.00 1.56 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.48 7.81 48 Q 8.00 4.83 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.60 7.05 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 49 R 8.63 4.25 0.00 1.94 1.88 0.00 3.44 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 50 D 8.69 4.64 0.00 2.83 2.79 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 51 V 7.68 4.09 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.05 0.00 0.00 52 A 8.68 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 4.08 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 1.19 0.00 0.00 54 G 7.62 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 55 G 7.80 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.42 4.08 0.00 1.75 1.88 0.00 3.21 0.00 0.00 3.23 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 57 V 7.30 3.80 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 0.60 0.00 0.00 0.96 0.00 0.00 58 D 7.67 5.05 0.00 2.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 10.24 4.32 0.00 1.92 1.50 0.00 3.57 0.00 0.00 3.17 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 60 F 9.14 6.17 0.00 3.11 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 61 N 7.42 4.75 0.00 2.83 2.88 0.00 0.00 7.15 7.68 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 62 K 8.01 3.58 0.00 1.97 1.89 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.49 7.81 63 R 8.11 4.32 0.00 2.04 2.14 0.00 3.43 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 64 F 9.10 5.09 0.00 3.09 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 65 N 7.95 4.33 0.00 2.77 2.78 0.00 0.00 6.98 8.63 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 66 I 7.54 4.67 1.86 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 1.29 1.74 0.92 0.00 0.00 67 P 0.00 4.46 0.00 2.33 2.36 0.00 3.71 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 2.28 2.24 0.00 68 G 7.71 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 0.00 0.00 0.00 69 S 8.80 3.79 0.00 4.09 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 70 K 8.58 4.19 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.45 7.81