NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2671 8.4449 120.2219 56.4201 30.8923 174.7025 2 T 4.2531 8.3115 118.6371 59.9993 70.0639 172.5605 3 S 4.6978 8.8545 121.3829 56.4465 67.1747 172.5428 4 Y 4.7377 8.2923 117.8584 56.6151 41.2480 175.1677 5 T 4.8354 8.4117 119.0630 61.8052 72.5295 173.0874 6 L 4.8035 8.2089 123.9634 53.5916 45.3202 175.1955 7 N 5.0988 8.5463 121.1712 51.5558 42.1895 173.4485 8 E 4.6323 8.3974 121.4724 54.6598 32.8298 174.2501 9 V 3.9090 8.2625 124.6005 61.9785 32.0842 175.7193 10 V 4.3216 8.1195 126.4183 60.2655 32.5722 173.0754 11 P 4.5880 0.0000 0.0000 62.0821 29.3502 176.6474 12 L 4.0919 8.5622 124.3853 58.3775 41.8550 178.1191 13 K 3.8037 8.1048 116.4337 59.4991 32.0252 177.9684 14 E 4.0268 7.9190 116.2407 56.8282 29.6512 176.8848 15 F 4.8853 7.8719 117.2025 57.5984 41.0929 176.1108 16 V 4.5376 7.4314 117.3288 58.7827 33.7983 173.3213 17 P 4.6042 0.0000 0.0000 62.0813 32.1251 176.6376 18 E 4.0260 8.7858 118.5564 58.4651 29.5102 177.8349 19 W 4.8136 8.0627 117.2305 54.8757 31.2520 175.3450 20 V 4.6456 8.2528 114.4168 59.8561 35.2666 174.7421 21 R 4.7168 8.3715 119.7315 54.4284 32.5264 175.7318 22 I 4.5382 7.4609 112.4628 59.2676 40.4837 175.6684 23 G 3.7642 7.3114 107.4665 45.8215 0.0000 172.3449 24 F 4.9982 8.4591 117.1535 55.5857 42.1109 174.7512 25 S 4.7358 8.4032 116.2405 56.7558 65.9901 173.1692 26 A 4.6108 8.1740 123.4279 51.0066 21.9194 175.5348 27 T 4.7493 8.0666 109.9317 60.0246 72.0780 172.8126 28 T 4.9717 8.2878 111.1878 60.0860 73.5016 175.3162 29 G 4.2871 8.8139 111.9091 45.7322 0.0000 174.1905 30 A 4.1518 9.4499 125.3260 54.0799 18.9675 178.6267 31 E 4.6007 7.9351 114.0678 54.7092 32.0279 174.5558 32 F 5.1894 7.0189 114.0322 55.6959 41.1254 173.3061 33 A 4.3552 8.0546 119.9594 51.5650 21.1891 175.9902 34 A 4.3106 8.5518 123.8658 51.9249 19.4803 177.1209 35 H 4.8353 8.6378 117.9107 54.0559 31.5061 173.0425 36 E 4.7016 8.5691 122.8749 54.2887 33.2848 175.1445 37 V 4.2331 8.0588 120.1795 61.1295 33.9704 175.2146 38 L 4.5340 8.4203 125.7958 55.9817 43.0579 176.9048 39 S 4.8255 7.5568 109.8379 56.8394 65.6019 173.2038 40 W 5.5972 8.6833 131.0201 56.0894 33.6412 173.5759 41 Y 4.8147 8.9491 124.9398 55.7733 41.3829 173.9923 42 F 4.3621 7.4482 126.6842 56.6691 42.6764 173.1048 43 H 4.4286 6.8871 124.9591 54.5080 32.6013 172.6134 44 S 4.3932 7.8707 120.1684 56.2622 65.7914 173.2661 45 E 4.2601 8.2894 121.6552 54.7454 31.4501 174.1171 46 L 4.4682 8.3481 128.3776 52.9420 43.6296 175.7919 47 A 4.1602 8.5174 127.9657 52.4906 18.4282 176.7094 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 E 8.44 4.27 0.00 1.94 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 2.19 2.27 0.00 2 T 8.31 4.25 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 1.07 0.00 0.00 3 S 8.85 4.70 0.00 3.85 3.72 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 4 Y 8.29 4.74 0.00 2.96 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 5 T 8.41 4.84 4.27 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 1.24 0.00 0.00 6 L 8.21 4.80 0.00 1.55 1.50 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.55 5.10 0.00 2.68 2.66 0.00 0.00 6.69 7.66 0.00 0.00 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 8.40 4.63 0.00 1.85 1.76 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 2.18 2.35 0.00 9 V 8.26 3.91 2.11 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 0.86 0.00 0.00 0.95 0.00 0.00 10 V 8.12 4.32 2.13 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 0.88 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.59 0.00 2.30 1.99 0.00 4.10 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 2.20 2.14 0.00 12 L 8.56 4.09 0.00 1.80 1.72 1.01 0.68 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 13 K 8.10 3.80 0.00 1.69 1.79 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.51 7.81 14 E 7.92 4.03 0.00 1.16 1.12 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 2.05 2.16 0.00 15 F 7.87 4.89 0.00 3.08 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 16 V 7.43 4.54 2.20 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 0.81 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.60 0.00 2.30 2.10 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 18 E 8.79 4.03 0.00 2.02 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 2.27 2.34 0.00 19 W 8.06 4.81 0.00 3.16 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 20 V 8.25 4.65 2.11 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 0.82 0.00 0.00 0.95 0.00 0.00 21 R 8.37 4.72 0.00 1.77 1.81 0.00 3.14 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 22 I 7.46 4.54 1.72 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.52 0.73 0.00 0.00 23 G 7.31 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 24 F 8.46 5.00 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.74 0.00 3.90 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 26 A 8.17 4.61 1.01 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 0.00 0.00 27 T 8.07 4.75 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 1.20 0.00 0.00 28 T 8.29 4.97 4.54 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 1.34 0.00 0.00 29 G 8.81 4.29 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 0.00 30 A 9.45 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 4.60 0.00 1.95 1.65 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 0.00 2.21 2.22 0.00 32 F 7.02 5.19 0.00 3.03 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 33 A 8.05 4.36 1.12 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 0.00 0.00 0.00 0.00 0.00 34 A 8.55 4.31 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 35 H 8.64 4.84 0.00 3.01 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.57 4.70 0.00 1.85 1.75 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 2.17 2.23 0.00 37 V 8.06 4.23 1.77 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 0.43 0.00 0.00 0.08 0.00 0.00 38 L 8.42 4.53 0.00 1.64 1.70 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.56 4.83 0.00 4.06 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 40 W 8.68 5.60 0.00 3.32 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 41 Y 8.95 4.81 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.45 4.36 0.00 2.47 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 0.00 0.00 0.00 43 H 6.89 4.43 0.00 2.92 2.93 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.87 4.39 0.00 3.89 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.26 0.00 1.75 1.75 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 2.15 2.26 0.00 46 L 8.35 4.47 0.00 1.48 1.42 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.52 4.16 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