NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9260 8.3549 109.7369 45.4108 0.0000 176.5233 2 I 3.9771 8.3139 127.3691 60.0607 37.4830 174.3990 3 G 4.3933 8.3305 113.5694 43.9358 0.0000 171.7458 4 D 4.8740 7.7483 117.9722 50.2207 43.4669 173.6649 5 P 4.3082 0.0000 0.0000 65.6380 31.4232 179.0940 6 V 3.5215 7.8114 117.8688 66.3165 31.6861 177.8577 7 T 3.8347 8.5030 115.8529 66.6495 68.3011 175.4997 8 C 4.1638 7.9624 120.2235 59.9468 44.8441 175.8299 9 L 4.2270 7.7964 121.5907 57.3206 41.0103 179.7051 10 K 4.0231 8.1588 117.7912 59.1595 32.0475 178.7580 11 S 4.4256 7.8686 112.3829 58.9871 63.2710 175.0925 12 G 3.7849 8.1379 110.8148 45.4161 0.0000 173.0096 13 A 4.9156 7.6779 122.1987 50.3523 21.8542 176.4111 14 I 4.7374 8.7048 111.1659 59.5029 41.2150 174.0882 15 C 5.1714 8.7578 121.6415 56.7611 39.7449 172.7209 16 H 4.9387 9.0883 120.5768 53.2733 31.6319 173.2824 17 P 4.2603 0.0000 0.0000 65.2569 31.5795 177.4758 18 V 4.2063 7.6266 112.8617 63.3143 34.7944 175.0582 19 F 4.9765 7.6928 115.3372 55.4549 42.5483 175.2788 20 C 4.4362 8.7141 120.9644 55.9132 35.1328 171.9403 21 P 4.3614 0.0000 0.0000 62.0777 31.5712 175.9608 22 R 4.1128 8.1257 120.1374 57.9702 30.3896 176.7997 23 R 4.1309 8.9429 122.1158 56.5485 27.4769 175.3265 24 Y 4.8213 7.7572 114.7245 56.1356 40.3177 175.1109 25 K 4.7933 8.6594 122.0856 54.4183 35.7450 175.2711 26 Q 4.6819 8.7434 125.0042 56.1194 29.4342 175.4627 27 I 4.4150 9.4620 118.9589 59.9568 38.8773 176.2274 28 G 3.8709 6.8472 109.4816 46.5081 0.0000 171.0296 29 T 5.0760 8.1869 110.3613 60.3758 71.3774 172.9038 30 C 4.6834 8.3297 115.8506 56.7411 40.6226 175.0613 31 G 4.3283 8.3432 114.3828 45.8403 0.0000 175.4755 32 L 4.0720 7.4803 119.7239 53.4208 42.2449 174.9241 33 P 4.3022 0.0000 0.0000 64.3448 31.5549 177.3180 34 G 3.8800 8.8351 109.9462 45.8399 0.0000 173.7630 35 T 4.4876 7.5186 109.8769 61.5151 69.8658 174.2591 36 K 4.7767 9.0336 122.4908 54.8119 36.0689 174.3159 37 C 5.0741 8.8915 124.6154 55.6704 44.9826 171.5928 38 C 5.7460 9.4458 124.2396 55.1537 41.3715 173.2060 39 K 5.0868 9.2104 123.6410 54.4938 35.8996 175.2652 40 K 4.3472 8.1328 126.0261 55.2984 32.7590 175.3493 41 P 4.3479 0.0000 0.0000 63.0311 31.4069 176.0931 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 G 8.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 3.98 1.88 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 1.35 0.72 0.96 0.00 0.00 3 G 8.33 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.75 4.87 0.00 2.83 2.72 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 5 P 0.00 4.31 0.00 2.28 2.34 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 6 V 7.81 3.52 2.22 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 1.14 0.00 0.00 0.93 0.00 0.00 7 T 8.50 3.83 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 1.22 0.00 0.00 8 C 7.96 4.16 0.00 3.05 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 9 L 7.80 4.23 0.00 1.76 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.16 4.02 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 11 S 7.87 4.43 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 12 G 8.14 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 0.00 0.00 0.00 13 A 7.68 4.92 1.37 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 0.00 0.00 14 I 8.70 4.74 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.99 0.00 0.00 15 C 8.76 5.17 0.00 2.85 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 H 9.09 4.94 0.00 2.97 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.26 0.00 2.03 2.09 0.00 3.92 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 18 V 7.63 4.21 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.81 0.00 0.00 19 F 7.69 4.98 0.00 2.98 2.81 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 20 C 8.71 4.44 0.00 3.02 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 21 P 0.00 4.36 0.00 1.73 1.71 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.41 0.00 22 R 8.13 4.11 0.00 1.78 1.87 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 23 R 8.94 4.13 0.00 2.11 2.12 0.00 3.24 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 24 Y 7.76 4.82 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.79 0.00 1.66 1.70 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.36 7.81 26 Q 8.74 4.68 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 27 I 9.46 4.41 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 1.20 0.88 0.99 0.00 0.00 28 G 6.85 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.19 5.08 4.38 0.00 0.00 0.00 0.00 0.00 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 30 C 8.33 4.68 0.00 2.95 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 4.33 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 0.00 32 L 7.48 4.07 0.00 1.70 1.59 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.30 0.00 2.01 1.99 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 34 G 8.84 3.88 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 0.00 0.00 0.00 35 T 7.52 4.49 4.22 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 1.26 0.00 0.00 36 K 9.03 4.78 0.00 1.66 1.70 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.27 7.81 37 C 8.89 5.07 0.00 3.16 2.90 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 0.00 0.00 0.00 38 C 9.45 5.75 0.00 2.92 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 39 K 9.21 5.09 0.00 1.82 1.59 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.41 7.81 40 K 8.13 4.35 0.00 1.35 1.49 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.64 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.13 0.21 7.81 41 P 0.00 4.35 0.00 2.15 2.01 0.00 3.84 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 1.94 1.93 0.00