NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 L 4.2369 8.1849 120.9898 55.6401 41.6697 176.0749 29 Q 4.2695 8.2974 119.4628 54.7383 30.4419 173.4453 30 T 4.5164 8.3426 116.7288 61.4561 71.8925 173.9693 31 A 3.9865 8.6124 128.9541 52.1599 18.5815 176.7260 32 S 4.5350 8.3878 118.1208 56.1173 63.7110 173.5966 33 L 4.0075 8.5191 128.7641 55.0108 41.4926 176.9134 34 R 4.4639 8.2439 124.0723 54.8136 31.5326 175.5843 35 D 4.6142 8.3786 122.6404 53.4679 41.2287 176.8566 36 G 3.8067 8.4172 110.7396 45.2244 0.0000 172.6779 37 P 4.1934 0.0000 0.0000 63.3646 31.9495 176.7588 38 A 4.1438 7.1780 123.3181 52.4720 18.7649 176.6728 39 K 4.6942 8.1689 118.9601 54.7339 36.4617 175.5031 40 R 4.4248 8.2845 119.7032 54.3624 31.5175 175.4172 41 A 4.1449 8.4453 128.3065 51.5398 18.4706 177.0350 42 V 3.7624 8.2517 123.5279 62.5208 32.1478 175.6083 43 W 4.4776 8.7210 135.0000 56.2622 29.7290 175.1902 44 V 4.0308 8.4178 126.6860 62.0959 31.4985 175.6088 45 R 4.4142 7.9267 120.2432 55.6418 31.5632 174.4184 46 H 4.4880 8.6441 118.8690 55.6030 29.6863 174.8546 47 T 4.2631 8.0528 117.6165 62.8229 69.2577 175.5446 48 S 4.3813 8.2861 121.3141 58.2141 63.7651 174.5735 49 S 4.3167 8.3904 115.3632 58.7348 63.0601 174.1342 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 28 L 8.18 4.24 0.00 1.75 1.74 0.92 0.22 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 29 Q 8.30 4.27 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 30 T 8.34 4.52 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 1.21 0.00 0.00 31 A 8.61 3.99 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 32 S 8.39 4.54 0.00 3.80 3.75 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 33 L 8.52 4.01 0.00 1.67 1.62 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.24 4.46 0.00 1.76 1.81 0.00 3.23 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 35 D 8.38 4.61 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.81 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 0.00 0.00 0.00 37 P 0.00 4.19 0.00 2.19 2.18 0.00 3.78 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 1.98 1.96 0.00 38 A 7.18 4.14 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 39 K 8.17 4.69 0.00 1.69 1.67 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.55 7.81 40 R 8.28 4.42 0.00 1.76 1.82 0.00 3.27 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 41 A 8.45 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.25 3.76 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 0.85 0.00 0.00 0.96 0.00 0.00 43 W 8.72 4.48 0.00 3.38 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.03 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 0.88 0.00 0.00 0.97 0.00 0.00 45 R 7.93 4.41 0.00 1.79 1.76 0.00 2.45 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.32 0.00 46 H 8.64 4.49 0.00 3.16 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.05 4.26 4.23 0.00 0.00 0.00 0.00 0.00 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 48 S 8.29 4.38 0.00 3.83 3.78 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 49 S 8.39 4.32 0.00 3.96 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