NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.7924 8.0544 120.3366 63.0871 32.8298 175.5552 12 S 4.3182 7.7048 115.9824 55.9523 60.8923 171.5280 13 Y 4.4014 7.0912 120.6230 57.1437 39.6465 174.3697 14 P 4.7485 0.0000 0.0000 61.9703 33.8397 174.2100 15 I 3.8566 7.9427 118.6771 61.7367 38.4288 176.2900 16 F 3.0713 8.8593 128.2387 58.5747 39.5526 174.8510 17 T 4.8000 8.1037 119.0353 59.2295 72.1093 174.4244 18 V 3.7247 8.2446 121.4309 64.8285 31.3752 178.0233 19 R 3.8879 8.1053 119.1606 58.8202 29.8722 177.8644 20 W 4.0977 8.3026 127.4684 60.7349 30.4649 177.3284 21 V 3.4583 7.8077 115.7906 66.6799 31.0972 177.1300 22 A 3.9068 8.1707 119.2939 55.6101 18.1246 179.5955 23 V 3.3220 8.1836 115.0887 66.4745 31.7309 178.2738 24 H 3.9705 7.8893 115.7667 58.2842 28.4177 177.6418 25 T 4.0168 7.7802 111.1824 64.2416 68.4787 175.5244 26 L 4.3599 7.6201 120.1555 56.1885 42.4746 178.4511 27 A 3.8833 7.9411 120.7951 55.0732 18.4152 179.8049 28 V 3.5575 7.9676 116.9844 65.6877 31.6181 176.2920 29 P 4.4373 0.0000 0.0000 66.6530 31.3118 177.9782 30 T 3.8410 7.7934 112.9098 67.5935 68.3740 175.8750 31 I 3.7906 7.9797 120.7109 64.9419 37.4847 178.3345 32 F 4.1378 8.2377 120.6347 61.0699 39.0454 177.3356 33 F 3.7794 8.6204 117.6365 60.4402 38.9424 177.7309 34 L 4.0028 8.6507 119.0455 57.7624 41.0884 180.0856 35 G 3.4459 7.9298 104.7724 47.4749 0.0000 175.3960 36 A 3.9015 7.3549 123.2623 54.8523 18.3065 179.5431 37 I 3.5763 8.4230 118.1043 64.7579 37.0423 178.3439 38 A 3.9842 8.0382 121.0568 55.4908 17.8745 179.5470 39 A 4.1862 8.0262 119.1384 55.4660 18.4277 179.7218 40 M 4.1061 8.3197 117.5016 58.4149 31.8035 178.4281 41 Q 3.9457 7.3906 116.6600 57.5545 29.0631 177.1485 42 F 4.7396 7.7095 116.7623 57.0057 40.8432 176.0288 43 I 4.1191 7.7481 122.2300 61.5880 38.2221 175.7931 44 Q 4.2008 7.7807 123.1513 55.1763 30.2343 174.7951 45 R 4.1395 8.4787 113.1196 56.8971 28.7974 174.5191 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 11 V 8.05 3.79 0.98 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 0.73 0.00 0.00 0.81 0.00 0.00 12 S 7.70 4.32 0.00 3.84 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.09 4.40 0.00 3.04 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 14 P 0.00 4.75 0.00 2.21 2.13 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 15 I 7.94 3.86 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.27 0.00 0.00 16 F 8.86 3.07 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 17 T 8.10 4.80 4.28 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 1.41 0.00 0.00 18 V 8.24 3.72 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 19 R 8.11 3.89 0.00 1.93 2.04 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 20 W 8.30 4.10 0.00 3.35 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.81 3.46 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.31 0.00 0.00 22 A 8.17 3.91 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 23 V 8.18 3.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.97 0.00 0.00 24 H 7.89 3.97 0.00 2.75 2.95 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.78 4.02 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 1.24 0.00 0.00 26 L 7.62 4.36 0.00 1.63 1.68 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.94 3.88 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 28 V 7.97 3.56 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 1.02 0.00 0.00 0.92 0.00 0.00 29 P 0.00 4.44 0.00 2.29 2.30 0.00 3.78 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 2.40 2.21 0.00 30 T 7.79 3.84 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 I 7.98 3.79 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.96 0.00 0.00 32 F 8.24 4.14 0.00 3.17 3.28 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 33 F 8.62 3.78 0.00 3.30 3.09 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 34 L 8.65 4.00 0.00 1.81 1.75 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.93 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.35 3.90 1.04 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 0.00 0.00 37 I 8.42 3.58 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.92 0.00 0.00 38 A 8.04 3.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.32 4.11 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 41 Q 7.39 3.95 0.00 1.46 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 42 F 7.71 4.74 0.00 2.90 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 4.12 1.89 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 1.40 0.64 0.93 0.00 0.00 44 Q 7.78 4.20 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 45 R 8.48 4.14 0.00 1.87 1.87 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 1.40 1.51 0.00