NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9111 8.3544 109.7456 44.9051 0.0000 177.1243 2 K 3.9006 8.7429 124.1960 54.7436 32.5021 174.4928 3 G 3.9249 9.3378 114.4571 46.6118 0.0000 172.2084 4 T 4.4345 8.5272 117.4299 64.4521 71.1484 173.3082 5 P 4.5947 0.0000 0.0000 62.8319 31.9112 176.0217 6 S 4.7219 8.3026 112.0515 58.6793 68.2280 174.1830 7 F 4.7028 8.1599 121.7692 57.1775 42.2887 173.2677 8 G 3.9474 7.0983 113.1170 45.5236 0.0000 175.2127 9 K 3.9555 7.5276 117.9164 59.0934 32.9048 177.2902 10 R 3.7398 7.5598 115.8932 56.9818 29.2506 176.2175 11 H 4.7538 8.5322 124.1905 53.6759 29.2371 172.0927 12 N 5.0422 7.6046 117.9882 50.1553 40.6335 175.1020 13 K 4.2392 8.3929 119.6888 56.1329 33.1526 176.2698 14 S 4.4135 8.4321 115.5145 58.3746 65.3314 172.7197 15 H 4.0972 8.3286 120.1078 56.6395 27.5859 173.9827 16 T 4.4830 7.0153 115.1278 62.1100 70.5365 175.5148 17 L 4.5018 8.4065 122.8278 56.5197 40.9585 176.5022 18 C 4.2350 8.4045 122.6871 58.1074 32.6551 173.3521 19 N 4.3466 8.5537 120.5793 55.5728 36.9960 176.3727 20 R 4.4941 7.3911 122.5212 52.1700 30.3062 173.3737 21 C 5.2671 7.9202 118.2546 59.1205 31.8079 174.5591 22 G 3.7356 9.0181 114.6641 48.4234 0.0000 174.3092 23 R 4.0535 8.0015 118.3976 55.8795 30.1507 176.1376 24 R 3.9134 8.0281 115.4814 55.3982 29.9151 179.2093 25 S 3.6398 7.9022 119.7390 58.1491 63.9331 172.4787 26 F 4.7559 8.1518 115.4901 55.1249 38.5869 175.6425 27 H 5.0341 8.5551 121.1879 54.9566 30.5701 174.4904 28 V 4.2454 7.5952 117.4259 62.0394 32.9180 175.7598 29 Q 4.5142 8.2355 118.5867 54.5205 28.4573 176.5776 30 K 4.4533 7.1887 127.6555 58.1830 35.0988 175.1948 31 K 4.5130 8.5297 112.7889 57.2551 34.9453 176.3574 32 T 4.6706 7.0981 104.7700 60.1480 71.6381 172.6486 33 C 5.2225 10.0341 118.3214 56.8188 30.0180 174.4084 34 S 3.5766 8.4800 108.6199 58.6100 60.2681 171.4091 35 S 4.7065 7.5316 112.6371 58.4632 66.7417 176.7885 36 C 4.1638 8.4258 118.4848 61.2968 28.7949 175.8354 37 G 3.2183 7.3823 108.7005 47.5215 0.0000 173.3215 38 Y 3.7647 7.2759 116.0052 55.2586 38.1876 173.1876 39 P 4.3796 0.0000 0.0000 64.9768 31.8517 177.1046 40 A 4.0015 7.8577 120.2248 52.1392 18.7335 177.4474 41 A 4.6196 8.0341 125.5794 50.3746 18.9002 177.4361 42 K 4.2311 7.2088 128.8314 57.0821 38.1724 176.6516 43 T 4.6723 8.4850 117.7279 60.7941 71.6796 173.0947 44 R 4.7648 8.1796 120.6531 54.6922 33.8070 175.0140 45 S 4.4842 8.1903 115.6982 56.8842 63.3775 176.2493 46 Y 3.9395 8.6580 116.3805 56.4387 38.6727 168.2514 47 N 4.4019 7.2681 124.7093 51.3174 38.1011 173.8665 48 W 4.9788 7.7873 117.2814 55.0510 29.5045 175.4411 49 G 4.1392 7.7367 112.0472 46.4671 0.0000 174.4007 50 A 4.1055 8.7043 122.3491 51.7354 19.7823 178.3063 51 K 4.2582 8.4365 120.9958 55.8905 33.2453 177.1601 52 A 4.2766 8.2610 123.1917 52.4305 19.2086 176.1453 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 G 8.35 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 2 K 8.74 3.90 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 G 9.34 3.92 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 0.00 0.00 0.00 4 T 8.53 4.43 4.37 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 1.23 0.00 0.00 5 P 0.00 4.59 0.00 2.05 2.15 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 S 8.30 4.72 0.00 3.98 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 7 F 8.16 4.70 0.00 3.01 2.94 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 8 G 7.10 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 9 K 7.53 3.96 0.00 1.80 1.91 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.37 7.81 10 R 7.56 3.74 0.00 1.77 1.82 0.00 2.75 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.94 0.00 11 H 8.53 4.75 0.00 3.02 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.60 5.04 0.00 2.76 2.69 0.00 0.00 6.38 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 13 K 8.39 4.24 0.00 1.72 1.74 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.43 7.81 14 S 8.43 4.41 0.00 3.81 3.71 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 15 H 8.33 4.10 0.00 3.17 3.28 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.02 4.48 4.13 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 0.00 0.00 1.23 0.00 0.00 17 L 8.41 4.50 0.00 1.65 1.70 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.40 4.24 0.00 2.83 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 19 N 8.55 4.35 0.00 2.79 2.80 0.00 0.00 5.87 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 20 R 7.39 4.49 0.00 1.82 1.95 0.00 3.47 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 21 C 7.92 5.27 0.00 3.25 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 22 G 9.02 3.74 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 0.00 0.00 0.00 23 R 8.00 4.05 0.00 1.96 1.95 0.00 3.20 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 24 R 8.03 3.91 0.00 2.18 2.09 0.00 3.20 0.00 0.00 3.64 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 25 S 7.90 3.64 0.00 4.43 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.76 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.56 5.03 0.00 3.18 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.60 4.25 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 0.79 0.00 0.00 0.95 0.00 0.00 29 Q 8.24 4.51 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 30 K 7.19 4.45 0.00 1.98 1.77 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.34 7.81 31 K 8.53 4.51 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.48 7.81 32 T 7.10 4.67 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 1.13 0.00 0.00 33 C 10.03 5.22 0.00 3.29 3.31 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 34 S 8.48 3.58 0.00 4.28 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.53 4.71 0.00 4.04 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 36 C 8.43 4.16 0.00 2.89 2.82 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 37 G 7.38 3.22 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 0.00 0.00 0.00 0.00 38 Y 7.28 3.76 0.00 3.19 3.29 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 39 P 0.00 4.38 0.00 2.08 2.19 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 40 A 7.86 4.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.62 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 42 K 7.21 4.23 0.00 1.64 1.19 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.32 7.81 43 T 8.49 4.67 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 R 8.18 4.76 0.00 1.58 1.74 0.00 3.20 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 45 S 8.19 4.48 0.00 3.74 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 46 Y 8.66 3.94 0.00 2.47 1.87 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 47 N 7.27 4.40 0.00 2.40 2.55 0.00 0.00 6.79 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 48 W 7.79 4.98 0.00 3.44 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 4.14 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 0.00 0.00 0.00 50 A 8.70 4.11 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 51 K 8.44 4.26 0.00 1.74 1.74 0.00 1.59 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.49 7.81 52 A 8.26 4.28 1.14 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 0.00 0.00