NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0969 8.2549 120.8410 55.0099 31.3096 175.1394 2 P 3.8793 0.0000 0.0000 62.4195 31.9372 175.3928 3 D 4.3658 8.7248 123.2704 57.6834 41.6898 178.8391 4 F 4.3144 8.1969 114.2632 60.2253 37.3115 177.5584 5 C 4.8842 7.7842 115.3006 58.5080 40.1016 174.4840 6 L 4.4735 7.9016 119.5989 53.6227 42.1578 176.1825 7 E 4.2599 7.6353 120.0024 54.9028 30.1946 175.0736 8 P 4.2127 0.0000 0.0000 61.8221 32.0053 174.4899 9 P 3.6903 0.0000 0.0000 62.8508 31.4245 175.8278 10 Y 4.4931 7.5268 119.7093 56.3560 40.1900 174.8402 11 T 4.2573 8.4546 125.7949 64.5544 68.9269 176.5039 12 G 3.9957 6.9742 109.7176 44.0373 0.0000 171.0392 13 P 4.4868 0.0000 0.0000 63.0105 31.6784 176.6782 14 C 4.6430 7.5340 117.1588 55.8092 41.5685 174.7060 15 K 3.8133 8.4364 120.7538 59.3692 31.9935 178.0749 16 A 4.0181 7.6028 119.6941 52.6108 19.5672 177.0217 17 R 4.6957 8.3667 118.0006 53.7880 30.5380 174.2482 18 I 4.5601 8.0746 122.4992 59.0096 40.8657 174.7142 19 I 4.2013 8.1821 126.4750 61.3503 38.1043 175.2784 20 R 4.5814 8.2031 123.9793 54.9512 35.4287 173.1787 21 Y 5.7151 9.0771 116.7395 56.5982 41.6200 175.3026 22 F 5.6804 9.2226 116.3504 55.5594 41.9333 172.6582 23 Y 4.6056 10.5297 123.0139 56.7397 40.0827 174.3485 24 N 4.6434 8.3847 126.6034 51.9117 38.0059 174.7901 25 A 3.6401 8.4011 128.6434 54.9668 18.7994 178.9901 26 K 4.0036 8.1251 114.9272 59.6020 32.4033 178.1205 27 A 3.9951 8.2667 120.1774 53.1067 18.3696 177.6458 28 G 3.8543 8.8647 104.1450 45.4811 0.0000 172.9787 29 L 4.6974 6.9794 117.4584 54.3639 44.1586 174.5409 30 C 4.9250 8.6979 117.2552 56.9227 42.2850 173.1884 31 Q 4.8390 8.3364 121.7425 53.9858 32.9953 174.2852 32 T 4.9730 8.4998 110.3661 61.4452 70.3931 173.8961 33 F 5.1092 8.9606 117.8415 55.7383 42.2617 172.8860 34 V 4.4847 8.3982 119.0587 61.9372 32.3936 174.1870 35 Y 4.8226 8.5216 128.7404 55.5594 41.1086 176.5392 36 G 3.6377 8.4142 114.4474 47.1300 0.0000 175.0239 37 G 3.7749 6.4881 106.4261 44.9718 0.0000 171.8794 38 C 4.8825 6.9337 112.0262 54.7134 44.6810 173.1805 39 R 3.7654 8.7971 116.1576 56.9928 27.1399 176.9627 40 A 4.1449 8.2231 118.8388 52.5356 19.1328 178.2632 41 K 4.2752 8.1380 120.8528 54.8138 34.0694 177.2016 42 R 3.4210 7.9633 118.0843 59.1751 30.3792 177.8371 43 N 4.7974 7.6492 116.8810 52.0934 37.2883 174.4824 44 N 5.1202 6.7138 116.5581 52.4916 42.0677 173.0852 45 F 4.9482 9.6197 124.9944 55.2200 42.2111 176.2196 46 K 4.0467 9.1874 126.5654 58.6562 32.5881 177.2436 47 S 4.7690 8.0665 112.0493 55.8677 65.5404 174.3438 48 A 3.3100 7.8981 130.4422 55.0322 18.0547 178.5685 49 E 3.6396 8.0609 116.8214 60.1409 29.3842 178.4833 50 D 4.2870 8.2255 118.1729 57.6918 41.0119 178.5309 51 C 2.4500 7.4883 118.2555 59.2752 41.9151 175.3046 52 M 3.8451 7.8823 120.3177 58.6123 31.4151 178.9331 53 R 3.6900 7.8686 117.4366 59.5925 30.2488 178.3034 54 T 4.1246 7.7343 115.0464 65.4830 68.6383 174.8334 55 C 4.5370 7.9139 115.1606 56.0591 41.2449 174.2197 56 G 3.6145 8.3645 115.4376 45.7346 0.0000 173.7422 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 R 8.25 4.10 0.00 1.64 1.82 0.00 2.66 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 2 P 0.00 3.88 0.00 0.84 1.18 0.00 3.46 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 3 D 8.72 4.37 0.00 2.68 2.76 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 4 F 8.20 4.31 0.00 3.18 3.39 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 5 C 7.78 4.88 0.00 3.06 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.47 0.00 1.70 1.76 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.64 4.26 0.00 2.19 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 2.42 2.44 0.00 8 P 0.00 4.21 0.00 1.96 1.90 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 2.01 2.06 0.00 9 P 0.00 3.69 0.00 0.62 0.49 0.00 3.22 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 10 Y 7.53 4.49 0.00 2.72 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 11 T 8.45 4.26 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 1.28 0.00 0.00 12 G 6.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.16 2.14 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 14 C 7.53 4.64 0.00 2.80 2.94 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 15 K 8.44 3.81 0.00 1.67 1.81 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.39 7.81 16 A 7.60 4.02 1.17 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 17 R 8.37 4.70 0.00 1.61 1.80 0.00 3.12 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 I 8.07 4.56 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.91 0.00 0.00 19 I 8.18 4.20 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.49 0.00 0.00 20 R 8.20 4.58 0.00 0.87 1.68 0.00 3.39 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 21 Y 9.08 5.72 0.00 3.16 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 22 F 9.22 5.68 0.00 3.20 3.01 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 0.00 0.00 0.00 23 Y 10.53 4.61 0.00 3.13 3.25 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 24 N 8.38 4.64 0.00 2.52 2.53 0.00 0.00 6.62 9.02 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 25 A 8.40 3.64 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 26 K 8.13 4.00 0.00 1.72 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 A 8.27 4.00 1.22 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 0.00 0.00 0.00 28 G 8.86 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.98 4.70 0.00 1.69 1.75 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.70 4.93 0.00 2.88 3.13 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 0.00 0.00 0.00 0.00 31 Q 8.34 4.84 0.00 1.45 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 32 T 8.50 4.97 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 1.17 0.00 0.00 33 F 8.96 5.11 0.00 3.11 3.25 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 34 V 8.40 4.48 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 0.72 0.00 0.00 0.92 0.00 0.00 35 Y 8.52 4.82 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.41 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.49 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 38 C 6.93 4.88 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 3.77 0.00 2.16 2.17 0.00 3.26 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 40 A 8.22 4.14 1.05 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 0.00 0.00 0.00 0.00 0.00 41 K 8.14 4.28 0.00 1.60 1.57 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 0.83 7.81 42 R 7.96 3.42 0.00 1.14 0.66 0.00 2.99 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.06 0.00 43 N 7.65 4.80 0.00 3.16 2.84 0.00 0.00 6.66 7.79 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 44 N 6.71 5.12 0.00 2.64 2.53 0.00 0.00 7.08 7.02 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 45 F 9.62 4.95 0.00 3.36 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 46 K 9.19 4.05 0.00 1.81 1.97 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.52 7.81 47 S 8.07 4.77 0.00 3.91 3.86 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 48 A 7.90 3.31 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.06 3.64 0.00 1.94 1.86 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 2.31 2.36 0.00 50 D 8.23 4.29 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.49 2.45 0.00 2.78 3.05 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 0.00 0.00 0.00 52 M 7.88 3.85 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 53 R 7.87 3.69 0.00 1.68 1.91 0.00 3.21 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 54 T 7.73 4.12 4.15 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 1.47 0.00 0.00 55 C 7.91 4.54 0.00 2.43 2.06 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 56 G 8.36 3.61 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 0.00 0.00 0.00