NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 3.7813 8.1749 117.3142 63.5295 70.5468 172.8621 1G F 4.5270 7.2717 121.1674 56.5847 41.4563 174.6389 1F G 3.7562 9.4874 112.6393 48.5874 0.0000 174.7387 1E A 4.2492 8.3421 122.1709 54.3638 18.7896 178.7655 1D G 3.7579 7.7996 105.0250 48.2593 0.0000 174.3246 1C E 4.3849 7.4707 124.9097 53.2215 28.7237 176.1246 1B A 4.0698 7.7721 127.4655 54.1717 19.0971 177.9757 1A D 4.9684 7.6341 112.8878 53.8516 41.7219 175.6632 1 C 4.2421 8.5347 113.0784 58.7522 30.1273 174.7441 2 G 3.7684 8.8206 109.3900 45.7244 0.0000 173.7496 3 L 4.4247 7.0562 119.7364 52.6258 41.0802 175.8889 4 R 4.0691 8.6667 123.3901 55.5627 30.4553 176.1378 5 P 4.1926 0.0000 0.0000 65.6903 31.3294 177.2803 6 L 4.1929 7.7719 113.7343 54.8301 41.8242 176.3752 7 F 4.6164 7.6259 115.4392 57.8998 42.2579 176.7560 8 E 4.0422 8.7702 120.5920 59.9830 30.1595 180.0710 9 K 4.0050 8.1735 116.2525 58.8803 32.2192 177.8231 10 K 4.4478 7.8797 115.7366 55.7538 32.2103 175.8505 11 Q 3.4322 7.5336 115.6331 56.9498 26.9140 173.8245 12 V 4.4360 8.0097 115.8385 61.1876 33.5304 174.5740 13 Q 4.9440 8.4977 124.6585 54.0736 31.0430 175.2589 14 D 4.7138 8.8884 121.5048 52.4735 40.6187 177.5913 14A Q 3.9350 8.4476 120.0677 58.9766 28.9209 178.5993 14B T 4.5706 7.6896 103.5425 60.6546 69.2373 175.2643 14C E 3.9276 8.3165 124.8168 59.3738 29.3380 178.6745 14D K 4.0886 8.0279 119.5703 59.2990 32.3232 178.0719 14E E 4.2288 7.9061 120.9205 58.8413 29.3189 178.9304 14F L 3.8366 7.7759 117.3633 57.4261 41.9756 178.7949 14G F 4.7456 7.8617 119.7500 61.1257 39.1982 176.9656 14H E 3.8138 8.5013 118.9257 59.6327 29.1642 179.5204 14I S 4.0191 7.5118 112.1743 61.6439 62.7045 175.7994 14J Y 4.4571 7.3708 119.9394 60.0429 37.7802 176.8320 14K I 4.2878 7.3795 111.8707 60.2093 38.5657 175.7242 14L E 3.8740 7.9288 120.7268 56.5740 28.9067 176.4158 14M G 3.8298 8.1820 112.9371 48.4103 0.0000 172.9895 15 R 4.1788 7.5259 121.2988 55.3655 29.6588 175.2213 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 1H T 8.17 3.78 4.11 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 1.07 0.00 0.00 1G F 7.27 4.53 0.00 3.22 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 1F G 9.49 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 1E A 8.34 4.25 1.55 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 0.00 0.00 1D G 7.80 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 1C E 7.47 4.38 0.00 2.01 1.85 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 2.21 2.37 0.00 1B A 7.77 4.07 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 1A D 7.63 4.97 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.53 4.24 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 2 G 8.82 3.77 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 0.00 0.00 0.00 3 L 7.06 4.42 0.00 1.74 1.68 0.96 0.89 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 4 R 8.67 4.07 0.00 2.19 2.12 0.00 3.29 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 5 P 0.00 4.19 0.00 2.04 2.14 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 6 L 7.77 4.19 0.00 1.34 1.07 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.63 4.62 0.00 3.06 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 8 E 8.77 4.04 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 9 K 8.17 4.01 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.42 7.81 10 K 7.88 4.45 0.00 1.64 1.74 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.54 7.81 11 Q 7.53 3.43 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 12 V 8.01 4.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.89 0.00 0.00 13 Q 8.50 4.94 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 14 D 8.89 4.71 0.00 2.58 1.77 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 14A Q 8.45 3.94 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 14B T 7.69 4.57 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 1.19 0.00 0.00 14C E 8.32 3.93 0.00 2.40 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 0.00 2.29 2.29 0.00 14D K 8.03 4.09 0.00 1.89 1.81 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.60 7.81 14E E 7.91 4.23 0.00 2.01 2.02 0.00 0.00 0.00 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 2.18 0.00 14F L 7.78 3.84 0.00 1.76 1.58 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14G F 7.86 4.75 0.00 3.20 3.26 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 14H E 8.50 3.81 0.00 2.12 1.94 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 2.35 2.56 0.00 14I S 7.51 4.02 0.00 3.86 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 14J Y 7.37 4.46 0.00 2.91 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 14K I 7.38 4.29 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.66 0.00 0.00 14L E 7.93 3.87 0.00 1.93 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 0.00 2.28 2.43 0.00 14M G 8.18 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 0.00 0.00 0.00 15 R 7.53 4.18 0.00 1.86 1.84 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00