NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3267 8.3044 120.3502 54.6546 32.7877 174.8969 2 K 3.5105 8.8911 118.7242 56.4901 32.2567 175.7609 3 R 4.2526 8.6294 126.1119 56.4061 32.7020 175.7029 4 T 4.5047 7.7477 110.9563 60.2890 66.4734 176.1793 5 F 4.9815 7.3190 117.8894 58.3300 40.7618 171.8369 6 Q 4.3569 8.4970 126.0711 52.2148 28.4833 173.8728 7 P 4.2088 0.0000 0.0000 63.3229 31.8042 177.1223 8 S 4.5654 8.4818 108.0613 56.3164 63.7419 176.8794 9 V 3.5461 7.9304 127.1357 64.4157 31.1171 177.5260 10 L 3.9089 8.0746 121.2607 57.6493 41.9243 179.0871 11 K 4.0007 7.8092 117.7110 59.5985 32.2293 179.1036 12 R 3.9984 8.3822 119.4131 60.4863 29.7605 177.4600 13 N 4.5610 8.4273 116.5630 55.4990 38.4565 176.9913 14 R 4.0223 7.8730 118.8246 58.3556 29.6730 177.8697 15 S 4.5364 7.7245 114.8352 60.0736 64.2342 175.4595 16 H 4.9832 8.1443 116.6970 55.3218 29.7987 173.6873 17 G 4.1670 8.3436 108.2518 43.7117 0.0000 175.3140 18 F 3.8877 9.0060 124.0363 61.7850 38.9362 177.4599 19 R 3.9574 8.1614 117.0200 59.1469 30.1690 177.8440 20 A 4.0844 7.8319 121.0584 54.2704 18.7696 179.2178 21 R 3.9647 8.0197 118.1728 59.6099 30.0199 178.4094 22 M 4.2572 7.7398 115.1646 55.7072 32.0096 176.9288 23 A 4.4898 7.8641 124.3978 52.4833 21.0251 178.5618 24 T 4.6776 7.2991 105.4609 59.5752 72.4988 174.2170 25 K 3.8236 8.5131 121.8559 60.2014 31.7999 178.2506 26 N 4.6387 7.9968 115.0904 54.6969 38.6021 177.3936 27 G 3.7788 7.4959 109.5112 47.2506 0.0000 176.1964 28 R 3.9831 7.9893 120.9845 57.7947 30.0133 179.1935 29 Q 3.9772 7.5174 118.3195 58.6048 28.7900 177.9738 30 V 3.5685 7.6009 119.2909 66.7003 31.4055 177.5629 31 L 4.0287 8.0145 117.8499 57.1342 41.4168 178.8092 32 A 3.9345 8.1932 120.2169 55.5504 18.4093 179.4673 33 R 3.8281 8.6017 117.2222 59.9191 30.1314 179.0173 34 R 3.9040 7.6963 117.5194 59.3316 29.9255 178.7661 35 R 3.8842 8.3582 117.3533 59.6027 29.9158 178.0877 36 A 4.1574 8.1297 119.8305 54.9288 18.7357 179.1167 37 K 4.1163 7.9449 114.3071 56.2249 33.1820 176.4965 38 G 3.9404 7.9303 105.9538 47.3302 0.0000 174.0113 39 R 4.0038 7.5986 116.3336 55.7156 30.6988 174.7925 40 A 3.9520 7.8333 125.6246 52.9753 18.8755 177.9078 41 R 4.3317 7.6610 125.7540 53.9341 29.8883 176.8301 42 L 3.8143 7.9643 122.1283 57.5486 42.0133 178.9443 43 T 4.1558 7.8576 117.5948 61.6824 69.5920 174.0025 44 V 3.1821 8.3262 126.4926 63.2831 28.8087 172.8484 45 S 3.8289 7.3163 115.4623 60.3171 63.5418 175.7083 46 K 4.1798 7.9413 125.0525 55.6052 32.1115 176.4146 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 4.33 0.00 2.00 1.94 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 2.54 0.00 2 K 8.89 3.51 0.00 1.84 1.77 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.53 7.81 3 R 8.63 4.25 0.00 1.88 1.97 0.00 3.42 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.75 4.50 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 1.23 0.00 0.00 5 F 7.32 4.98 0.00 2.86 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 6 Q 8.50 4.36 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 7 P 0.00 4.21 0.00 2.00 1.60 0.00 3.53 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 8 S 8.48 4.57 0.00 3.81 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 9 V 7.93 3.55 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 0.75 0.00 0.00 0.95 0.00 0.00 10 L 8.07 3.91 0.00 1.70 1.74 0.93 0.50 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 11 K 7.81 4.00 0.00 2.00 1.87 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 12 R 8.38 4.00 0.00 1.91 2.19 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 13 N 8.43 4.56 0.00 3.00 2.81 0.00 0.00 6.77 7.81 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 14 R 7.87 4.02 0.00 1.93 2.09 0.00 3.06 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 15 S 7.72 4.54 0.00 4.13 3.72 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 16 H 8.14 4.98 0.00 3.10 3.27 0.00 5.83 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 17 G 8.34 4.17 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 0.00 0.00 0.00 18 F 9.01 3.89 0.00 3.11 3.11 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 0.00 0.00 0.00 19 R 8.16 3.96 0.00 1.93 1.92 0.00 3.49 0.00 0.00 3.26 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 20 A 7.83 4.08 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 21 R 8.02 3.96 0.00 2.02 1.80 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 22 M 7.74 4.26 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 23 A 7.86 4.49 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 24 T 7.30 4.68 4.21 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 1.18 0.00 0.00 25 K 8.51 3.82 0.00 1.87 1.79 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 26 N 8.00 4.64 0.00 2.83 2.82 0.00 0.00 6.83 8.27 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 27 G 7.50 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.99 3.98 0.00 1.83 1.94 0.00 3.07 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 29 Q 7.52 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 30 V 7.60 3.57 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 1.03 0.00 0.00 0.97 0.00 0.00 31 L 8.01 4.03 0.00 1.85 1.66 0.55 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.19 3.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.60 3.83 0.00 2.11 2.06 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 34 R 7.70 3.90 0.00 1.99 1.98 0.00 3.23 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 35 R 8.36 3.88 0.00 1.94 2.07 0.00 3.31 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 36 A 8.13 4.16 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 37 K 7.94 4.12 0.00 1.91 1.93 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.46 7.81 38 G 7.93 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 39 R 7.60 4.00 0.00 1.78 1.86 0.00 3.30 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 40 A 7.83 3.95 1.24 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 0.00 0.00 0.00 41 R 7.66 4.33 0.00 1.82 1.93 0.00 3.27 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 42 L 7.96 3.81 0.00 1.70 1.86 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.86 4.16 4.50 0.00 0.00 0.00 0.00 0.00 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 44 V 8.33 3.18 2.13 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 0.85 0.00 0.00 0.96 0.00 0.00 45 S 7.32 3.83 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.18 0.00 1.73 1.73 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.46 7.81