NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3196 8.2644 123.5857 52.0831 19.2268 179.1874 2 F 4.3185 8.7236 113.0748 58.0625 37.0782 172.2952 3 C 4.0250 8.2372 123.1757 55.6941 44.0486 173.4046 4 N 3.1400 7.9655 126.7739 52.3113 38.0009 174.2001 5 L 3.8085 7.9409 129.8414 57.9382 42.1146 178.4956 6 R 3.8428 7.9994 117.9864 59.5835 30.1254 177.9808 7 M 3.9693 8.2257 117.9831 58.6817 32.1575 177.1125 8 C 4.1348 8.3179 118.8339 59.8818 40.8906 175.2958 9 Q 3.9464 8.4069 119.8276 59.0255 28.2953 178.9602 10 L 3.9071 8.0282 120.9425 58.4659 41.8594 179.2608 11 S 4.1063 8.3824 115.3071 61.7804 62.7065 176.1311 12 C 4.2887 8.4530 119.5102 60.0789 36.7362 176.2188 13 R 4.0424 8.3399 121.9761 58.8988 29.3866 178.5817 14 S 4.2443 8.1231 114.5483 61.3418 62.9429 175.0251 15 L 4.3875 7.3478 117.7780 54.4424 41.3025 177.3242 16 G 3.9897 8.5746 109.9430 45.2228 0.0000 174.1643 17 L 4.3358 7.9427 120.0530 54.1179 44.2293 175.8251 18 L 4.6766 8.9820 122.7100 53.1613 42.5791 175.0901 19 G 4.1410 8.5175 113.1620 45.9251 0.0000 170.6939 20 K 4.7313 9.0352 123.5393 55.1074 36.3802 174.6977 21 C 4.8930 8.7859 123.0405 54.8830 41.0279 173.3458 22 I 4.2524 8.4406 128.9289 59.9329 38.0777 177.5581 23 G 3.9623 8.7990 111.7470 49.0451 0.0000 174.8510 24 D 4.4927 8.1459 118.5255 55.0345 40.1481 176.2842 25 K 4.4978 7.6272 117.2981 54.9196 35.5612 174.0518 26 C 4.5176 8.4925 120.2314 56.6102 45.1168 171.8738 27 E 4.7690 8.8544 126.0284 54.8078 33.6670 174.0081 28 C 5.2338 8.3660 117.4348 55.4165 38.8048 174.7111 29 V 3.5090 8.5323 124.6964 62.6337 32.3184 174.9186 30 K 4.2605 8.6838 124.7071 58.3706 31.5986 176.3306 31 H 4.5404 7.8151 122.8057 56.1491 28.7850 175.5029 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 A 8.26 4.32 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 2 F 8.72 4.32 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 3 C 8.24 4.02 0.00 2.88 2.89 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 4 N 7.97 3.14 0.00 2.33 2.48 0.00 0.00 6.83 6.78 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 5 L 7.94 3.81 0.00 1.73 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.00 3.84 0.00 1.98 2.07 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 7 M 8.23 3.97 0.00 2.16 2.03 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 2.58 2.68 0.00 8 C 8.32 4.13 0.00 3.01 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 9 Q 8.41 3.95 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 10 L 8.03 3.91 0.00 1.83 1.83 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.38 4.11 0.00 3.86 3.88 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 0.00 0.00 0.00 12 C 8.45 4.29 0.00 3.13 3.12 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 13 R 8.34 4.04 0.00 1.87 2.17 0.00 3.15 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 14 S 8.12 4.24 0.00 4.04 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 15 L 7.35 4.39 0.00 1.62 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.57 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 17 L 7.94 4.34 0.00 1.68 1.85 0.91 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.98 4.68 0.00 1.70 1.65 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.52 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 20 K 9.04 4.73 0.00 1.82 1.85 0.00 1.14 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.48 7.81 21 C 8.79 4.89 0.00 2.84 2.93 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 22 I 8.44 4.25 1.96 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 1.21 0.50 0.94 0.00 0.00 23 G 8.80 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 0.00 0.00 0.00 24 D 8.15 4.49 0.00 2.78 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 25 K 7.63 4.50 0.00 1.91 1.87 0.00 1.30 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.35 7.81 26 C 8.49 4.52 0.00 2.90 2.98 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 27 E 8.85 4.77 0.00 1.98 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 2.17 2.38 0.00 28 C 8.37 5.23 0.00 2.87 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 V 8.53 3.51 2.07 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 0.78 0.00 0.00 1.04 0.00 0.00 30 K 8.68 4.26 0.00 1.75 1.50 0.00 1.76 0.00 0.00 1.47 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.45 7.81 31 H 7.82 4.54 0.00 3.16 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00