NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6672 8.1633 120.2870 54.2718 34.3140 176.0534 2 I 4.5622 8.3874 122.7643 58.0690 41.3439 170.0591 3 V 2.8201 8.5460 121.8262 62.8096 32.2269 173.4984 4 P 4.0712 0.0000 0.0000 63.2467 31.1046 176.0268 5 V 3.7044 8.7745 124.7648 65.9327 31.8013 175.3896 6 R 4.8357 7.5244 117.2942 53.7326 33.4270 174.8460 7 C 3.4186 8.4863 122.7813 60.1374 31.9387 173.7740 8 F 4.2723 8.6868 125.5013 61.0300 39.1117 176.5951 9 S 4.3676 8.2544 116.9212 61.6049 62.8956 175.5508 10 C 4.5399 8.2170 111.6607 58.1396 31.2525 174.7067 11 G 4.0566 8.0236 107.2586 44.8856 0.0000 173.3061 12 K 3.7349 8.1077 120.4404 56.0643 32.5075 176.0525 13 V 4.0256 8.3056 125.4491 63.2610 31.3517 175.1348 14 V 4.0564 8.1120 127.7257 64.0842 32.6752 177.3959 15 G 3.9275 9.0886 106.6000 46.3803 0.0000 173.3380 16 D 4.8236 7.9468 117.5689 53.0064 39.8494 176.7059 17 K 4.6399 8.3353 118.7896 56.0575 33.3094 177.7305 18 W 4.5739 8.3485 131.3663 60.3509 30.8351 178.0681 19 E 3.7263 8.1420 118.0942 59.4465 28.9920 179.2339 20 S 4.1963 8.0364 114.7375 61.5620 62.6440 176.1048 21 Y 3.9971 7.3820 121.1924 60.8074 38.8697 177.2871 22 L 3.5512 7.4125 119.8639 57.8670 41.5740 179.5221 23 N 4.1641 8.4740 116.4037 56.3496 38.5237 177.3633 24 L 3.9087 8.2411 120.6516 57.5741 41.7351 179.3102 25 L 4.2494 7.2260 120.0714 56.4496 41.7202 178.5268 26 Q 3.8766 8.0752 119.4281 59.2643 29.0139 178.0652 27 E 3.9297 7.9569 118.6799 58.7252 29.8656 177.6270 28 D 4.6877 7.7857 115.7245 53.6261 41.2070 176.1363 29 E 4.1346 7.2603 116.5585 56.4787 27.8112 175.6526 30 L 4.4042 7.2937 119.7647 54.0083 43.3227 175.9310 31 D 4.9171 8.1473 120.0790 52.0884 42.3587 177.0367 32 E 4.1775 8.9020 122.0358 59.9555 29.4402 179.9789 33 G 3.7374 8.2460 104.7668 48.3397 0.0000 175.7081 34 T 3.9116 8.0730 117.8371 66.0007 68.6100 176.7652 35 A 4.0222 8.5607 123.0153 55.4658 18.3457 179.7547 36 L 4.0817 8.6237 117.6589 58.0880 41.5152 179.9540 37 S 4.3378 7.8204 114.5479 61.2216 62.5075 176.8502 38 R 4.0237 7.5759 120.2126 58.9081 29.9921 178.2836 39 L 4.2307 7.6719 116.0760 55.7910 41.6309 177.8713 40 G 3.9405 7.7823 108.4161 45.1607 0.0000 173.8604 41 L 4.1011 7.0824 117.5928 55.2969 40.1302 176.2350 42 K 4.3341 8.3769 122.9346 57.1481 34.3958 177.5272 43 R 4.3481 7.6099 116.6741 54.4708 30.8212 176.5363 44 Y 4.4463 8.5894 121.2123 60.5259 37.2442 178.4770 45 C 4.0196 7.4309 114.9596 61.4825 29.9025 175.0546 46 C 4.3219 8.5186 118.2872 61.0031 28.0051 176.3626 47 R 3.9813 7.7744 120.0326 59.2725 29.9985 178.6451 48 R 3.9389 8.2726 116.1092 60.1185 28.7566 177.4697 49 M 3.8635 7.3555 116.6131 59.1301 32.4317 177.9926 50 I 3.7890 7.3529 118.5236 64.3912 37.4560 178.3420 51 L 4.0867 7.8078 120.1274 57.9763 42.0918 177.9300 52 T 4.2501 7.6662 113.9083 65.0439 68.9687 174.8885 53 H 4.1390 7.7571 121.3383 55.8988 30.2875 174.3838 54 V 4.1155 7.7139 125.2145 61.1821 33.8675 175.6391 55 D 4.7045 8.1773 130.5017 53.2233 40.5643 177.2722 56 L 3.7248 7.4978 120.9299 57.4402 41.8545 179.0493 57 I 3.7098 7.4388 118.9673 64.0869 37.7741 177.2722 58 E 4.1738 7.9513 116.9118 58.0516 29.2964 178.1223 59 K 4.3236 7.6218 117.6674 57.1377 33.6343 177.9842 60 F 5.1654 8.3837 118.7379 60.0001 38.6867 176.9007 61 L 4.6088 7.8633 115.7594 55.2177 41.1291 177.4638 62 R 4.4056 7.6760 118.4262 56.6740 31.6199 176.4689 63 Y 4.4093 7.6974 114.6297 57.2867 38.8190 175.1550 64 N 4.4861 8.8644 120.1749 55.4927 39.5429 173.2028 65 P 4.5380 0.0000 0.0000 62.7150 31.5980 174.6829 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 M 8.16 4.67 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.78 0.00 2 I 8.39 4.56 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.85 0.00 0.00 3 V 8.55 2.82 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 0.53 0.00 0.00 0.68 0.00 0.00 4 P 0.00 4.07 0.00 1.53 1.60 0.00 3.41 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 1.69 2.00 0.00 5 V 8.77 3.70 2.04 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 0.94 0.00 0.00 0.90 0.00 0.00 6 R 7.52 4.84 0.00 1.63 1.72 0.00 3.22 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 7 C 8.49 3.42 0.00 2.91 2.75 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 8 F 8.69 4.27 0.00 3.12 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 9 S 8.25 4.37 0.00 3.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.22 4.54 0.00 3.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 4.06 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 0.00 12 K 8.11 3.73 0.00 1.72 1.66 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.35 7.81 13 V 8.31 4.03 2.06 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 0.86 0.00 0.00 0.91 0.00 0.00 14 V 8.11 4.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.85 0.00 0.00 15 G 9.09 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 16 D 7.95 4.82 0.00 2.80 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 17 K 8.34 4.64 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.36 1.49 7.81 18 W 8.35 4.57 0.00 3.35 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 19 E 8.14 3.73 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 20 S 8.04 4.20 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.38 4.00 0.00 2.94 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 22 L 7.41 3.55 0.00 1.55 1.40 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.47 4.16 0.00 2.90 2.77 0.00 0.00 6.94 6.74 0.00 0.00 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 L 8.24 3.91 0.00 1.73 1.66 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.23 4.25 0.00 1.55 1.43 0.51 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.08 3.88 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 E 7.96 3.93 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 28 D 7.79 4.69 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.26 4.13 0.00 1.99 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 0.00 2.26 2.29 0.00 30 L 7.29 4.40 0.00 1.99 1.47 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.15 4.92 0.00 2.86 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 32 E 8.90 4.18 0.00 2.19 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 2.57 2.51 0.00 33 G 8.25 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 3.91 4.25 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 1.22 0.00 0.00 35 A 8.56 4.02 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 36 L 8.62 4.08 0.00 1.72 1.76 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.82 4.34 0.00 4.16 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 38 R 7.58 4.02 0.00 1.96 2.00 0.00 3.17 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 39 L 7.67 4.23 0.00 1.69 1.75 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.78 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.08 4.10 0.00 1.79 1.66 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.38 4.33 0.00 1.86 2.03 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.39 7.81 43 R 7.61 4.35 0.00 1.70 1.95 0.00 2.87 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 44 Y 8.59 4.45 0.00 3.27 3.31 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 45 C 7.43 4.02 0.00 3.08 2.84 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 0.00 0.00 0.00 0.00 46 C 8.52 4.32 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.77 3.98 0.00 2.02 2.00 0.00 3.43 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 48 R 8.27 3.94 0.00 2.14 2.38 0.00 2.94 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 49 M 7.36 3.86 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 50 I 7.35 3.79 1.59 0.00 0.00 0.91 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 1.05 0.29 0.00 0.00 51 L 7.81 4.09 0.00 1.61 1.90 1.03 0.93 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 52 T 7.67 4.25 4.42 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 1.25 0.00 0.00 53 H 7.76 4.14 0.00 3.12 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.71 4.12 1.98 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 0.80 0.00 0.00 0.94 0.00 0.00 55 D 8.18 4.70 0.00 2.89 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 56 L 7.50 3.72 0.00 1.40 0.85 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.44 3.71 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 1.00 0.00 0.00 58 E 7.95 4.17 0.00 2.13 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 2.56 2.60 0.00 59 K 7.62 4.32 0.00 1.58 1.75 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.36 7.81 60 F 8.38 5.17 0.00 3.23 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 61 L 7.86 4.61 0.00 1.69 1.74 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.68 4.41 0.00 1.71 1.74 0.00 3.10 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 63 Y 7.70 4.41 0.00 3.01 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 64 N 8.86 4.49 0.00 2.73 2.88 0.00 0.00 6.88 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.54 0.00 2.20 2.00 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00