NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1420 8.2549 117.2608 54.8008 30.9854 175.1478 2 P 4.0144 0.0000 0.0000 62.3731 31.9375 176.1798 3 D 4.4302 8.4178 121.6634 56.9635 41.5454 178.5358 4 F 4.5750 7.9078 114.6059 59.4257 37.7507 177.4484 5 C 4.6860 7.5926 116.1903 58.7350 40.0339 174.5648 6 L 4.2575 7.7818 119.8171 54.3212 42.1713 176.6943 7 E 4.2355 7.4317 117.6181 55.0287 30.3781 175.1960 8 P 4.3468 0.0000 0.0000 61.5124 32.1092 174.5955 9 P 3.6338 0.0000 0.0000 62.5908 31.5297 175.4783 10 Y 4.5556 7.5929 121.1477 55.9923 40.3862 175.2852 11 T 4.1691 8.2735 125.2432 65.7506 68.7788 176.0939 12 G 3.9320 6.8132 105.3961 44.1015 0.0000 171.0596 13 P 4.3659 0.0000 0.0000 64.0584 31.9575 177.3106 14 C 4.5162 7.7632 117.0243 56.8472 40.8903 173.7657 15 K 4.2788 8.1809 118.2657 56.1915 32.4191 176.7433 16 A 4.1429 7.8430 122.1767 51.6292 19.6645 177.4093 17 R 4.8090 8.0273 116.5815 54.4488 29.5491 174.8502 18 I 4.3915 8.2723 121.8911 59.3903 40.1372 176.0011 19 I 4.1629 8.2124 127.6616 61.2170 37.6595 175.4069 20 R 4.5810 8.3789 125.4056 54.4196 34.6538 173.7824 21 Y 5.6267 9.1896 118.2017 56.5119 40.6675 175.2486 22 F 5.7591 9.4456 117.7149 55.1957 42.1183 173.2172 23 Y 4.4365 10.0641 122.5820 57.3480 40.0922 173.7803 24 N 4.8228 8.4085 126.7047 51.9814 39.0576 175.2622 25 A 3.6996 8.4996 130.2935 54.8715 19.0595 178.5886 26 K 3.9918 8.2047 115.5877 59.6016 32.3235 178.0058 27 A 3.9245 8.3048 120.4408 53.2535 18.3582 178.5195 28 G 3.8882 8.8804 103.2496 45.1452 0.0000 172.5560 29 L 4.6644 6.7334 118.4401 54.3625 44.1669 175.0877 30 C 4.9984 8.5485 116.5663 56.6528 41.2590 173.2033 31 Q 4.8482 8.4451 120.4270 54.1917 33.2805 174.4762 32 T 4.9209 8.6239 110.8970 61.7554 70.2065 173.6009 33 F 5.1375 9.3853 117.8441 55.6861 42.3502 172.9624 34 V 4.3704 8.4664 119.2349 61.7857 32.4123 174.0947 35 Y 4.8533 8.9433 129.9877 56.1412 40.7601 176.1568 36 G 4.0000 7.9016 112.1747 45.4766 0.0000 175.1542 37 G 3.8320 6.7590 107.6819 45.1437 0.0000 172.0743 38 C 4.9156 7.1001 112.7206 54.6671 44.6389 173.3454 39 R 4.0389 8.8040 115.4792 56.7682 27.1351 176.8701 40 A 4.2446 7.5024 116.7101 52.7909 18.8524 178.3604 41 K 4.4121 8.2482 120.2085 54.5885 34.3683 177.0599 42 R 3.4887 8.1012 118.0991 58.8362 30.4413 177.6597 43 N 4.8921 7.7620 118.1387 51.5606 37.1886 174.7019 44 N 5.0959 6.7895 116.1660 53.0287 41.4674 173.1460 45 F 4.9684 9.4785 125.2965 55.3224 42.3293 176.4138 46 K 4.0267 9.1810 126.6582 58.7804 32.7191 177.2561 47 S 4.8865 8.0539 112.3309 56.3652 65.2182 174.5213 48 A 3.3478 8.0365 130.1346 54.6638 18.0663 179.5189 49 E 3.7281 7.8710 117.5853 59.5179 29.7421 178.5646 50 D 4.2756 7.7834 118.4278 57.3717 40.8565 177.7847 51 C 2.0000 7.4518 118.3770 59.4153 38.5822 175.4841 52 M 3.8057 7.5833 119.3323 58.4043 31.5386 178.2043 53 R 3.8060 7.6442 118.2409 59.5640 30.3472 177.8410 54 T 3.9604 7.7537 114.6143 66.4784 68.5118 174.7288 55 C 4.2121 7.7634 115.3062 56.4670 39.8962 175.5869 56 G 3.3074 6.5553 104.8062 48.0991 0.0000 176.1841 57 G 4.0916 7.1064 109.7350 43.9101 0.0000 172.0383 58 A 4.0549 8.2670 120.9261 52.9002 18.9634 176.3222 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 R 8.25 4.14 0.00 1.63 1.98 0.00 2.97 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 2 P 0.00 4.01 0.00 1.00 1.72 0.00 3.39 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.97 0.00 3 D 8.42 4.43 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.91 4.58 0.00 3.34 3.34 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 5 C 7.59 4.69 0.00 2.92 3.11 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 6 L 7.78 4.26 0.00 1.75 1.76 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.43 4.24 0.00 2.04 1.99 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 2.62 2.32 0.00 8 P 0.00 4.35 0.00 1.99 1.93 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 P 0.00 3.63 0.00 0.90 0.49 0.00 3.26 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 10 Y 7.59 4.56 0.00 2.78 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.27 4.17 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 1.12 0.00 0.00 12 G 6.81 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 13 P 0.00 4.37 0.00 2.18 2.19 0.00 3.79 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 1.98 2.03 0.00 14 C 7.76 4.52 0.00 2.82 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 15 K 8.18 4.28 0.00 1.65 1.76 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.42 7.81 16 A 7.84 4.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 4.81 0.00 1.61 1.80 0.00 3.16 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 18 I 8.27 4.39 1.89 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 1.13 1.16 0.91 0.00 0.00 19 I 8.21 4.16 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.60 0.00 0.00 20 R 8.38 4.58 0.00 0.67 1.70 0.00 3.33 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 21 Y 9.19 5.63 0.00 3.12 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 22 F 9.45 5.76 0.00 3.12 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 23 Y 10.06 4.44 0.00 3.11 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 24 N 8.41 4.82 0.00 2.54 2.54 0.00 0.00 6.67 7.29 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 25 A 8.50 3.70 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.99 0.00 1.70 1.98 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 27 A 8.30 3.92 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 28 G 8.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.73 4.66 0.00 1.65 1.69 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.55 5.00 0.00 2.80 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 31 Q 8.45 4.85 0.00 1.31 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 32 T 8.62 4.92 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 33 F 9.39 5.14 0.00 3.00 3.25 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 0.00 34 V 8.47 4.37 2.09 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 0.74 0.00 0.00 0.92 0.00 0.00 35 Y 8.94 4.85 0.00 2.52 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 36 G 7.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.76 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.10 4.92 0.00 3.08 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 39 R 8.80 4.04 0.00 2.24 2.23 0.00 3.46 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 40 A 7.50 4.24 1.13 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 0.00 0.00 41 K 8.25 4.41 0.00 1.69 1.82 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.07 1.03 7.81 42 R 8.10 3.49 0.00 0.98 0.66 0.00 2.63 0.00 0.00 2.92 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.25 0.00 43 N 7.76 4.89 0.00 3.10 2.87 0.00 0.00 6.92 8.25 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 44 N 6.79 5.10 0.00 2.74 2.61 0.00 0.00 7.08 7.02 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 45 F 9.48 4.97 0.00 3.36 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.18 4.03 0.00 1.78 1.94 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.50 7.81 47 S 8.05 4.89 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.04 3.35 0.44 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 0.00 0.00 0.00 49 E 7.87 3.73 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 50 D 7.78 4.28 0.00 3.00 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 51 C 7.45 2.00 0.00 2.68 2.94 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 52 M 7.58 3.81 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 53 R 7.64 3.81 0.00 1.85 1.85 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.75 3.96 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 1.53 0.00 0.00 55 C 7.76 4.21 0.00 2.44 1.69 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 0.00 0.00 0.00 0.00 56 G 6.56 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 0.00 0.00 0.00 57 G 7.11 4.09 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 0.00 0.00 0.00 58 A 8.27 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00