NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.4287 8.1749 117.3255 63.5878 69.8979 172.8656 1G F 4.7970 8.1195 121.1827 55.3197 43.0154 173.2728 1F G 3.7629 9.0735 114.1649 46.2874 0.0000 173.2118 1E A 4.0237 8.9939 127.9379 51.4815 17.3209 178.7484 1D G 4.2546 7.3430 102.3156 45.3974 0.0000 173.9371 1C E 4.3124 8.3301 127.2602 57.0075 26.8010 178.8124 1B A 3.5670 7.4240 120.2131 52.8688 19.8846 177.3493 1A D 4.7420 7.5734 111.1669 53.7055 42.0340 176.7436 1 C 4.4633 7.9668 115.7587 59.2226 30.0219 174.1948 2 G 3.8159 8.8156 109.6421 45.9851 0.0000 173.4199 3 L 4.5138 7.6851 120.0742 52.5532 41.7107 176.3693 4 R 4.1323 8.5296 124.5168 55.3191 30.5047 176.3894 5 P 4.2327 0.0000 0.0000 65.6726 31.3944 177.2860 6 L 4.0403 7.6757 114.8698 55.2561 41.7000 176.0668 7 F 4.6843 7.4564 115.1520 58.4752 42.5331 177.2296 8 E 4.0419 8.5455 120.3760 59.8651 30.1308 179.9364 9 K 3.9836 8.1235 116.1879 58.7493 32.2187 177.7051 10 K 4.2244 7.8417 116.6887 57.2204 32.6605 178.0422 11 Q 3.1775 7.5087 116.0251 57.6771 27.2127 175.3437 12 V 4.4490 7.9075 114.4717 60.4713 34.2434 176.2513 13 Q 4.7750 8.3979 122.2055 54.3269 30.5659 175.4859 14 D 4.4725 8.6629 121.0778 52.5277 40.3389 177.4378 14A Q 4.0082 8.5513 119.9627 58.8142 28.7310 178.2602 14B T 4.5735 8.1596 105.5108 60.8186 69.6595 175.5988 14C E 4.0107 8.4108 124.3751 59.6162 29.3870 179.2105 14D K 4.1419 8.0978 118.4055 59.8090 32.3597 178.5640 14E E 4.3647 7.8877 121.7680 58.1211 29.3911 178.6606 14F L 3.8606 7.8679 120.5438 56.2622 42.1337 178.8022 14G F 3.7718 7.7630 117.0798 60.6167 38.9170 177.0044 14H E 3.9058 8.6860 119.5734 59.6494 29.2020 179.4499 14I S 4.4179 7.6338 113.5969 61.2376 63.0329 176.0566 14J Y 4.4778 7.8593 120.9412 60.9646 37.5138 177.5817 14K I 4.3585 7.5009 110.1745 61.4241 38.1164 176.4283 14L E 4.5091 8.0398 119.5022 58.6808 29.8965 176.3394 14M G 4.0907 8.1729 107.6682 46.0916 0.0000 173.6647 15 R 4.1197 8.3699 116.4292 56.8613 28.8461 174.4745 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 4.43 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 1.18 0.00 0.00 1G F 8.12 4.80 0.00 3.07 2.78 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 1F G 9.07 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 8.99 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.25 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 0.00 1C E 8.33 4.31 0.00 2.16 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 2.81 2.44 0.00 1B A 7.42 3.57 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 1A D 7.57 4.74 0.00 2.74 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 1 C 7.97 4.46 0.00 3.13 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 2 G 8.82 3.82 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 0.00 0.00 0.00 3 L 7.69 4.51 0.00 1.89 1.69 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.53 4.13 0.00 2.16 2.05 0.00 3.48 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 5 P 0.00 4.23 0.00 2.01 2.13 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 6 L 7.68 4.04 0.00 1.17 0.77 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.46 4.68 0.00 3.09 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 8.55 4.04 0.00 2.14 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 2.47 2.47 0.00 9 K 8.12 3.98 0.00 1.90 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 10 K 7.84 4.22 0.00 1.66 1.76 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.46 7.81 11 Q 7.51 3.18 0.00 2.24 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 12 V 7.91 4.45 2.19 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 0.78 0.00 0.00 1.01 0.00 0.00 13 Q 8.40 4.77 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 14 D 8.66 4.47 0.00 2.48 1.81 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 0.00 0.00 0.00 0.00 14A Q 8.55 4.01 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.06 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 14B T 8.16 4.57 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 1.18 0.00 0.00 14C E 8.41 4.01 0.00 2.17 2.34 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 2.51 2.63 0.00 14D K 8.10 4.14 0.00 2.00 2.08 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 14E E 7.89 4.36 0.00 2.09 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 2.27 2.19 0.00 14F L 7.87 3.86 0.00 1.11 0.96 0.73 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14G F 7.76 3.77 0.00 3.03 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 14H E 8.69 3.91 0.00 2.32 2.12 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 2.32 2.38 0.00 14I S 7.63 4.42 0.00 4.06 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 14J Y 7.86 4.48 0.00 3.25 2.92 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 14K I 7.50 4.36 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.60 1.03 0.00 0.00 14L E 8.04 4.51 0.00 2.16 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 2.35 2.49 0.00 14M G 8.17 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.37 4.12 0.00 1.86 1.84 0.00 3.24 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 1.53 0.00