NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0478 8.0249 114.2719 59.9943 39.2117 175.1345 4 K 4.1297 8.0154 120.7630 54.2291 32.5573 170.0591 5 V 4.2419 8.8109 125.3953 60.4502 33.6483 175.3333 6 R 3.9830 8.6279 127.2804 56.4226 30.2456 176.2130 7 E 4.6115 8.3645 122.1083 54.9228 32.0063 174.9567 8 N 4.6560 8.3266 117.2182 53.8791 42.0951 174.1084 9 E 3.7746 8.9608 125.3049 56.8849 26.8511 174.8578 10 P 4.2766 0.0000 0.0000 63.1972 29.8192 176.6439 11 F 4.3789 8.1576 115.1634 56.0805 38.3119 173.6295 12 D 4.0320 7.6225 125.1651 54.4502 37.8411 172.7677 13 V 3.1537 8.6034 126.8245 62.7757 32.1255 177.0425 14 A 3.5503 8.2030 120.5391 52.9007 15.6944 178.6187 15 L 4.1868 7.3422 118.7315 58.3516 42.6160 178.8733 16 R 4.1006 8.1937 115.6566 58.4980 28.5379 178.7830 17 R 3.8033 7.5152 117.7791 59.6330 29.4232 178.1437 18 F 4.4976 7.9751 116.9985 58.3077 39.1575 177.4053 19 K 4.1190 7.8244 117.7480 58.8283 31.5423 178.6174 20 R 3.9924 7.5169 117.6920 59.0347 29.8076 177.7040 21 S 4.3375 7.4956 112.3549 61.7652 62.4815 173.5971 22 C 4.8005 7.9378 118.7526 60.5947 38.3248 175.3897 23 E 3.9937 8.0513 121.3103 58.7063 29.5376 178.4919 24 K 4.1095 8.0538 118.9623 58.6723 32.7513 176.4030 25 A 4.6529 8.5666 120.6075 53.5823 22.9523 178.2254 26 G 3.7583 8.0224 103.2287 47.4430 0.0000 175.8339 27 V 3.6958 7.8166 112.6816 64.1460 31.3843 176.7798 28 L 4.3126 8.2768 118.6464 54.8466 41.5161 178.0614 29 A 4.0282 7.6078 121.1392 54.0596 18.4390 178.7222 30 E 4.4140 8.2260 115.5408 57.7142 30.4816 175.7492 31 V 4.4176 7.0796 117.2823 61.0066 33.2918 175.4738 32 R 4.4440 9.2258 120.9789 56.8667 32.0006 175.7124 33 R 4.2509 7.5963 113.5899 57.0367 32.6893 174.1507 34 R 4.0189 7.8365 117.3632 54.6277 30.1131 174.7452 35 E 4.5735 7.1924 116.6439 53.1953 32.3819 176.2267 36 F 4.1480 8.3308 117.5925 59.5374 40.3879 177.7393 37 Y 3.6739 7.9317 117.7081 58.6998 36.2486 170.8040 38 E 4.1960 9.1875 119.8276 57.9984 31.1827 178.1623 39 K 4.1283 8.9623 120.1913 56.6190 30.9706 175.5014 40 P 4.4099 0.0000 0.0000 64.1450 31.4801 177.6933 41 T 3.9422 7.6104 109.5825 65.1887 69.4991 176.4226 42 T 4.0894 7.8093 117.9188 65.3190 68.6737 176.2170 43 E 3.8192 8.2946 121.2767 59.8910 29.2459 179.1087 44 R 3.8336 7.5724 116.4849 58.6304 30.1722 177.5481 45 K 4.4390 7.7363 116.5190 56.0489 33.4212 177.3958 46 R 3.9055 8.2990 119.6411 59.8974 29.8981 177.7822 47 A 3.9937 8.1105 120.1227 55.1240 18.2979 179.4881 48 K 3.8564 7.7461 116.4017 59.5502 32.1438 178.3828 49 A 4.2510 7.4727 117.3527 53.4504 18.3794 178.7898 50 S 4.3166 7.9795 112.2575 59.6351 62.1854 175.2557 51 A 4.6498 7.7537 122.7291 51.4109 19.2107 177.9238 52 V 3.8173 7.9335 118.1798 64.6860 31.4625 176.4758 53 K 4.1501 7.3823 122.2389 56.5312 31.8427 176.5382 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 3 I 8.02 4.05 1.88 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 1.42 1.13 0.92 0.00 0.00 4 K 8.02 4.13 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.49 7.81 5 V 8.81 4.24 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 0.86 0.00 0.00 0.96 0.00 0.00 6 R 8.63 3.98 0.00 1.84 1.86 0.00 3.39 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 7 E 8.36 4.61 0.00 1.84 1.70 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 2.15 2.21 0.00 8 N 8.33 4.66 0.00 2.60 2.62 0.00 0.00 7.05 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 9 E 8.96 3.77 0.00 2.27 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 0.00 2.26 2.35 0.00 10 P 0.00 4.28 0.00 2.01 1.97 0.00 3.67 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 2.00 2.02 0.00 11 F 8.16 4.38 0.00 3.08 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 12 D 7.62 4.03 0.00 2.75 2.72 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 13 V 8.60 3.15 1.93 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 0.79 0.00 0.00 0.17 0.00 0.00 14 A 8.20 3.55 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 15 L 7.34 4.19 0.00 1.57 1.70 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.19 4.10 0.00 2.04 2.29 0.00 2.83 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 17 R 7.52 3.80 0.00 1.74 2.16 0.00 2.21 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 18 F 7.98 4.50 0.00 3.16 3.07 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 19 K 7.82 4.12 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.62 7.81 20 R 7.52 3.99 0.00 1.82 2.06 0.00 3.28 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 21 S 7.50 4.34 0.00 4.04 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 22 C 7.94 4.80 0.00 3.01 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 23 E 8.05 3.99 0.00 2.01 2.01 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 2.32 2.31 0.00 24 K 8.05 4.11 0.00 1.72 1.95 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 25 A 8.57 4.65 1.25 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 0.00 0.00 0.00 26 G 8.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 3.70 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 0.78 0.00 0.00 0.96 0.00 0.00 28 L 8.28 4.31 0.00 1.81 1.67 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.61 4.03 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.23 4.41 0.00 2.05 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 2.38 2.31 0.00 31 V 7.08 4.42 2.04 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 0.82 0.00 0.00 0.94 0.00 0.00 32 R 9.23 4.44 0.00 1.72 1.83 0.00 2.78 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 33 R 7.60 4.25 0.00 1.74 1.92 0.00 3.48 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 34 R 7.84 4.02 0.00 2.28 2.17 0.00 3.07 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 35 E 7.19 4.57 0.00 1.16 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 2.08 1.99 0.00 36 F 8.33 4.15 0.00 2.93 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 37 Y 7.93 3.67 0.00 3.32 2.87 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 38 E 9.19 4.20 0.00 2.13 2.03 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 2.36 2.35 0.00 39 K 8.96 4.13 0.00 2.01 2.28 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.35 7.81 40 P 0.00 4.41 0.00 2.15 2.08 0.00 3.69 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 41 T 7.61 3.94 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 1.22 0.00 0.00 42 T 7.81 4.09 4.22 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 1.20 0.00 0.00 43 E 8.29 3.82 0.00 2.04 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 2.33 2.30 0.00 44 R 7.57 3.83 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 45 K 7.74 4.44 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 46 R 8.30 3.91 0.00 1.94 2.02 0.00 3.13 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 47 A 8.11 3.99 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 48 K 7.75 3.86 0.00 1.84 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.60 7.81 49 A 7.47 4.25 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 50 S 7.98 4.32 0.00 4.06 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 51 A 7.75 4.65 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 52 V 7.93 3.82 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 0.75 0.00 0.00 0.93 0.00 0.00 53 K 7.38 4.15 0.00 1.77 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81