NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3170 8.2993 119.9972 57.1664 33.9012 173.6084 2 C 4.8290 8.0856 114.1953 54.1492 42.8712 171.6370 3 L 4.2702 9.2681 122.8513 54.7010 42.7547 178.7761 4 A 4.0671 8.1632 126.5990 50.7424 20.9102 175.9398 5 E 3.5935 8.0974 113.8289 57.4537 30.0856 176.4993 6 A 3.5135 8.9531 126.1701 53.2917 16.6514 176.7426 7 A 4.8128 7.5397 121.3753 51.0188 21.6139 177.2533 8 D 4.6975 8.6676 122.3080 54.0042 39.9378 176.8870 9 C 4.8181 8.5937 119.7159 55.6798 41.9665 173.5839 10 S 4.4286 8.4081 116.4790 57.1216 63.6605 172.6395 11 P 3.9910 0.0000 0.0000 64.8113 31.2746 176.9504 12 W 4.8099 8.0274 114.8473 57.4274 31.8274 175.5123 13 S 4.7772 7.7724 109.7726 56.0972 65.7033 174.4294 14 G 4.1886 7.8405 114.5391 46.9331 0.0000 172.2769 15 D 4.8192 8.5024 124.6254 53.1488 42.7473 175.8344 16 S 4.7752 8.1292 117.4198 57.3144 65.1290 174.4494 17 C 4.8205 8.6492 120.1331 57.2174 41.9140 174.4495 18 C 4.7854 9.3573 121.1494 56.7044 41.0211 173.5689 19 K 4.6763 8.7564 122.2387 56.2828 33.1714 174.8840 20 P 4.8964 0.0000 0.0000 62.8641 31.9898 175.2070 21 Y 4.3633 8.1399 116.4082 59.1505 38.7674 175.5161 22 L 4.8498 8.9984 124.3730 53.0841 45.5928 174.6408 23 C 4.8365 8.9283 126.2532 56.7281 44.4042 172.6491 24 S 4.4485 8.8936 123.1490 56.7570 63.9350 174.4580 25 C 5.2558 8.3808 124.1954 55.8729 40.6094 173.0644 26 I 4.3356 7.1742 112.2795 60.1832 39.7583 175.8610 27 F 4.2111 9.2976 118.2325 61.1523 39.0107 176.9786 28 F 4.5716 8.6404 121.4521 60.2969 39.8334 174.7762 29 Y 4.3790 8.0704 118.8126 55.0343 39.5215 173.4779 30 P 4.5143 0.0000 0.0000 62.1248 33.1419 175.9395 31 C 4.4189 8.6585 117.6133 58.0672 36.5641 173.2353 32 S 5.1207 8.6946 117.9998 56.7165 66.6670 173.1223 33 C 4.6685 9.5842 121.7736 57.4535 40.2472 173.0546 34 R 4.9882 8.8630 122.8595 53.1793 33.4859 173.7607 35 P 4.5839 0.0000 0.0000 62.6536 32.4305 176.3967 36 K 4.0811 8.2411 122.8195 57.9095 31.9703 177.0566 37 G 3.5707 8.7184 117.4895 45.8041 0.0000 172.4268 38 W 4.3351 7.8648 119.8097 56.4412 28.2609 176.0781 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 K 8.30 4.32 0.00 1.94 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.48 7.81 2 C 8.09 4.83 0.00 3.14 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 3 L 9.27 4.27 0.00 1.52 1.56 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.16 4.07 1.06 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 0.00 0.00 5 E 8.10 3.59 0.00 2.10 1.96 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 2.17 2.26 0.00 6 A 8.95 3.51 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 4.81 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 8 D 8.67 4.70 0.00 2.61 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 9 C 8.59 4.82 0.00 2.81 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 10 S 8.41 4.43 0.00 4.08 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 11 P 0.00 3.99 0.00 0.59 1.60 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 12 W 8.03 4.81 0.00 3.43 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 13 S 7.77 4.78 0.00 3.86 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 14 G 7.84 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.82 0.00 2.64 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 16 S 8.13 4.78 0.00 3.78 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 17 C 8.65 4.82 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 18 C 9.36 4.79 0.00 2.77 3.08 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 0.00 0.00 0.00 0.00 19 K 8.76 4.68 0.00 1.90 1.86 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 20 P 0.00 4.90 0.00 2.13 2.13 0.00 3.28 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 21 Y 8.14 4.36 0.00 2.96 3.12 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 22 L 9.00 4.85 0.00 1.86 1.79 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.93 4.84 0.00 3.00 2.99 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 0.00 0.00 0.00 24 S 8.89 4.45 0.00 3.17 2.63 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 25 C 8.38 5.26 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.17 4.34 2.23 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 1.26 0.00 0.00 27 F 9.30 4.21 0.00 3.07 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 28 F 8.64 4.57 0.00 2.97 3.29 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 29 Y 8.07 4.38 0.00 2.99 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 30 P 0.00 4.51 0.00 1.99 1.98 0.00 3.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 31 C 8.66 4.42 0.00 2.80 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 32 S 8.69 5.12 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.58 4.67 0.00 2.97 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 34 R 8.86 4.99 0.00 0.82 1.38 0.00 2.99 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.21 0.00 35 P 0.00 4.58 0.00 2.06 2.05 0.00 3.76 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 2.16 2.34 0.00 36 K 8.24 4.08 0.00 1.75 1.64 0.00 1.73 0.00 0.00 2.01 0.00 0.00 3.09 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.46 7.81 37 G 8.72 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.86 4.34 0.00 3.32 3.37 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 0.00 0.00 0.00 0.00