NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1555 8.1701 115.2408 60.2543 70.4043 177.1810 2 A 3.1704 9.3607 120.8240 50.4089 18.5118 175.4275 3 D 4.2966 9.1382 116.0727 54.2250 40.9784 170.2471 4 N 4.9256 7.3006 116.6157 51.9952 42.1631 174.3206 5 K 4.4153 8.1260 122.2390 55.9351 33.1843 176.3999 6 F 4.8950 8.2105 118.7038 56.4329 40.1353 174.4303 7 N 5.1115 9.2992 121.9989 53.6950 43.7703 177.2064 8 K 3.9123 7.7756 117.3314 57.9340 32.5864 177.5044 9 E 6.3000 7.6863 129.9650 57.4875 31.3550 178.9238 10 Q 3.6933 7.5098 118.2078 59.3388 28.1703 178.4818 11 Q 4.2649 7.5349 116.7009 58.5650 28.3335 178.0457 12 N 4.5262 8.2319 117.0886 56.4028 37.5125 176.7900 13 A 4.0324 8.8770 123.6170 55.5666 18.0523 178.7056 14 F 4.0025 8.5941 117.3161 62.4010 39.1297 176.8247 15 Y 3.2910 7.3439 119.2403 61.0760 38.3363 178.1920 16 E 4.1890 8.8832 121.2162 58.2503 29.9089 178.2079 17 I 3.7735 7.5108 119.7964 64.1502 37.1239 176.6653 18 L 4.6257 7.3784 118.3492 55.1364 41.4105 177.3773 19 H 4.8760 8.3122 114.4399 55.8558 33.0382 172.2315 20 L 3.9632 8.0757 120.8663 53.7627 40.6563 175.7079 21 P 4.5341 0.0000 0.0000 63.9042 31.4677 177.2425 22 N 4.6276 7.7748 116.1863 53.9025 39.2461 174.5837 23 L 4.8090 7.5950 116.4285 52.2669 44.9584 175.3702 24 N 4.7101 8.2111 116.7520 52.4680 38.4245 175.9477 25 E 4.0117 8.4795 117.9007 58.2240 30.1194 178.4602 26 E 4.0990 8.1797 118.9048 59.5259 29.8063 178.1785 27 Q 3.9309 8.0615 118.4705 59.0990 29.1325 177.9963 28 R 2.0000 7.2670 119.4894 58.9923 30.1320 177.7809 29 N 4.2646 8.7763 117.9634 56.7638 38.4542 176.4681 30 G 3.5452 7.4234 106.6887 47.5292 0.0000 174.9857 31 F 4.4337 7.4186 117.5851 59.7473 37.7872 177.7866 32 I 3.8828 8.3483 113.7978 63.0155 37.4702 177.3405 33 Q 4.1271 8.6005 121.9982 59.3083 28.5695 178.4363 34 S 4.2331 8.4714 114.3361 60.4621 62.4980 175.6138 35 L 4.0942 8.2941 124.0615 58.0055 41.6079 179.2018 36 K 3.7808 7.7687 116.5354 60.1437 32.8858 178.0073 37 D 4.6258 7.6598 118.1040 55.5539 42.1722 176.0807 38 D 4.7101 8.4960 119.5338 51.7802 41.9710 174.7903 39 P 5.0521 0.0000 0.0000 61.7901 30.8974 179.0742 40 S 4.5216 8.1517 114.2118 61.7143 64.1314 175.8804 41 Q 4.6695 7.7979 119.7928 54.5812 29.5158 177.7421 42 S 4.1561 8.5937 116.3704 61.8803 62.2498 175.7214 43 A 3.7769 7.6052 122.5097 54.8796 18.5031 178.3415 44 N 4.2901 7.7838 115.0533 57.0382 38.9739 176.7629 45 L 3.9138 7.9325 119.8085 57.6624 41.8444 178.9923 46 L 3.6336 7.5345 118.9480 59.0847 39.8733 179.3468 47 A 3.8897 7.7350 121.3772 54.8261 18.3251 179.2319 48 E 3.8254 8.1097 117.4360 59.4652 29.5224 178.4680 49 A 3.8894 7.3707 120.8752 54.3226 18.3309 179.4174 50 K 3.8185 7.8663 115.6901 59.4529 32.0567 179.2825 51 K 3.9062 7.7787 119.9117 59.4525 32.0739 178.7798 52 L 4.0666 7.9088 120.3306 57.8117 41.8450 177.9546 53 N 4.4975 8.5733 118.0037 56.1443 38.8531 176.3689 54 D 4.4355 8.4584 120.4938 57.5869 41.0810 179.3466 55 A 4.1734 7.6656 119.9253 55.0167 18.5998 178.5406 56 Q 4.4188 7.3528 113.1294 55.9932 29.0664 177.3617 57 A 4.0802 8.4192 123.4033 54.7775 18.5369 177.4910 58 P 4.5378 0.0000 0.0000 62.2312 32.2274 175.9813 59 K 4.2945 8.2942 117.0256 57.3177 32.6999 176.9147 60 A 4.3159 7.8211 126.5214 53.3641 19.1873 177.1905 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 T 8.17 4.16 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 1.19 0.00 0.00 2 A 9.36 3.17 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 3 D 9.14 4.30 0.00 2.90 2.64 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 4 N 7.30 4.93 0.00 2.65 2.64 0.00 0.00 7.02 6.71 0.00 0.00 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 K 8.13 4.42 0.00 1.73 1.78 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.51 7.81 6 F 8.21 4.89 0.00 2.91 3.16 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 0.00 0.00 0.00 0.00 7 N 9.30 5.11 0.00 2.93 3.03 0.00 0.00 6.52 5.78 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 8 K 7.78 3.91 0.00 1.83 1.96 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.43 7.81 9 E 7.69 6.30 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 10 Q 7.51 3.69 0.00 1.31 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 11 Q 7.53 4.26 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 12 N 8.23 4.53 0.00 2.98 3.17 0.00 0.00 5.90 7.61 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 13 A 8.88 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.59 4.00 0.00 2.95 3.04 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 15 Y 7.34 3.29 0.00 2.94 2.88 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 16 E 8.88 4.19 0.00 2.25 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 2.32 2.50 0.00 17 I 7.51 3.77 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.82 0.00 0.00 18 L 7.38 4.63 0.00 1.28 1.42 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.31 4.88 0.00 3.26 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.08 3.96 0.00 1.78 1.74 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.53 0.00 2.19 2.18 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 22 N 7.77 4.63 0.00 2.93 3.11 0.00 0.00 6.75 7.65 0.00 0.00 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 L 7.59 4.81 0.00 1.61 1.58 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.21 4.71 0.00 2.92 2.92 0.00 0.00 5.93 7.65 0.00 0.00 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 E 8.48 4.01 0.00 2.03 1.99 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 2.36 2.27 0.00 26 E 8.18 4.10 0.00 1.92 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 2.25 2.30 0.00 27 Q 8.06 3.93 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 28 R 7.27 2.00 0.00 1.80 1.97 0.00 3.45 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 29 N 8.78 4.26 0.00 2.73 2.78 0.00 0.00 7.18 8.15 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 30 G 7.42 3.55 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 0.00 31 F 7.42 4.43 0.00 3.07 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 3.88 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.35 1.26 0.00 0.00 33 Q 8.60 4.13 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 34 S 8.47 4.23 0.00 3.95 3.89 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 35 L 8.29 4.09 0.00 1.77 1.77 0.94 -0.21 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 36 K 7.77 3.78 0.00 1.88 1.80 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.42 7.81 37 D 7.66 4.63 0.00 2.77 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 38 D 8.50 4.71 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.05 0.00 1.52 1.75 0.00 3.01 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 40 S 8.15 4.52 0.00 4.04 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 41 Q 7.80 4.67 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 42 S 8.59 4.16 0.00 4.13 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.61 3.78 1.13 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 0.00 0.00 44 N 7.78 4.29 0.00 2.80 2.99 0.00 0.00 7.30 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.93 3.91 0.00 1.66 1.76 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.53 3.63 0.00 1.83 2.10 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.73 3.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.83 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 49 A 7.37 3.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.87 3.82 0.00 1.72 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.43 7.81 51 K 7.78 3.91 0.00 1.94 1.86 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.43 7.81 52 L 7.91 4.07 0.00 1.87 2.01 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.57 4.50 0.00 2.89 2.90 0.00 0.00 7.00 8.05 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 54 D 8.46 4.44 0.00 2.71 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 55 A 7.67 4.17 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 56 Q 7.35 4.42 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 57 A 8.42 4.08 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 58 P 0.00 4.54 0.00 2.06 2.03 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 59 K 8.29 4.29 0.00 1.86 1.89 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 60 A 7.82 4.32 1.24 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 0.00 0.00 0.00