NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2314 8.1133 117.2702 56.4000 30.6880 176.5414 11 S 3.9944 8.6412 113.5730 58.0029 62.4931 173.9919 12 G 3.7132 7.5568 111.0670 47.7104 0.0000 175.6099 13 R 4.1324 7.6279 114.8798 57.6416 30.2177 177.0323 14 F 5.0550 8.5547 117.8929 57.0450 40.1937 176.9088 15 G 3.7138 7.4585 109.6367 46.9520 0.0000 174.1129 16 A 4.5133 8.4571 123.3989 52.4940 19.3206 177.1065 17 R 4.2919 7.1337 117.1480 57.0452 32.7077 175.7104 18 Y 4.1148 8.3193 117.8916 57.1171 36.5120 170.7759 19 G 3.9850 8.0422 103.5183 44.4815 0.0000 172.8165 20 R 3.7602 7.9561 115.3849 59.1270 30.1315 179.3176 21 V 3.4608 7.6992 116.8380 66.7075 31.8950 177.8959 22 S 4.1488 8.0596 114.0712 61.7301 62.2733 176.3753 23 R 4.6779 7.7092 116.0561 56.6826 29.4235 177.6262 24 R 4.3851 8.4661 121.6277 59.0576 30.5222 178.5434 25 R 3.9760 7.8258 117.4597 58.9985 30.2503 178.7527 26 V 3.5693 7.6236 117.7379 65.9652 31.4251 177.7885 27 A 3.9534 7.5489 120.7908 55.2304 18.2397 179.1776 28 E 3.8753 8.0066 116.1770 59.6809 29.7794 179.4852 29 I 3.6800 8.2351 119.7984 64.9445 37.2764 178.3477 30 E 4.1419 8.3291 118.5709 58.7558 29.0475 179.4423 31 S 4.0319 8.3390 114.1472 61.4646 62.4074 175.7345 32 E 4.2159 8.6473 121.5265 58.1141 29.4101 177.9665 33 M 5.0431 7.6460 118.8509 58.0785 32.5416 176.9346 34 N 4.8621 8.0096 113.4149 52.5512 39.6353 175.1136 35 E 4.0983 7.1965 120.7788 56.3107 30.2461 175.5012 36 D 4.4694 8.3584 120.3811 54.5387 41.4263 175.8362 37 H 5.0027 8.6379 120.3896 53.7535 31.7568 174.0941 38 A 4.5925 8.5227 123.9223 51.7304 18.6743 177.0014 39 C 4.1585 9.5112 125.3331 59.6004 31.8317 172.3432 40 P 4.2343 0.0000 0.0000 65.6946 31.1867 177.7357 41 N 4.1759 7.9467 112.3557 53.2044 39.2374 174.6610 42 C 5.0431 7.0279 113.2573 59.0396 33.3285 175.3343 43 G 4.1604 8.7359 106.8879 45.4514 0.0000 171.7362 44 E 4.1441 8.1697 119.5958 55.5288 30.8302 176.6810 45 D 5.6102 7.9965 122.3616 53.3508 39.3436 176.8049 46 R 4.7319 7.6189 112.3408 55.9355 32.6149 176.8533 47 V 4.8126 8.1381 119.4016 62.3752 32.4583 174.7666 48 D 5.3861 9.3052 127.2383 52.3171 44.9640 175.4097 49 R 3.5471 8.7411 121.2862 56.1854 30.5921 176.3089 50 Q 4.3537 9.0437 123.3758 54.8485 30.6580 175.7344 51 G 3.6459 6.7441 104.2793 45.7388 0.0000 171.0601 52 T 3.6122 8.1324 117.0761 64.7310 68.4727 174.5868 53 G 4.3052 8.5627 114.1817 46.4979 0.0000 171.5591 54 I 4.6648 6.9479 120.4965 58.8852 39.9462 174.8086 55 W 4.9986 8.5543 126.4764 54.9180 33.0628 174.3774 56 Q 5.1065 9.0918 122.4112 54.9893 32.7130 173.0634 57 C 5.1571 9.2504 127.3666 58.0638 31.9995 174.3807 58 S 4.2012 8.9082 122.8808 61.4286 62.3293 174.9088 59 Y 4.4019 7.8504 121.9215 59.7102 37.5720 175.7027 60 C 4.1744 7.9175 111.6177 57.3809 30.4097 173.9781 61 D 4.5777 8.5282 118.7463 55.5919 38.5906 172.9637 62 Y 4.5362 7.6064 121.5604 57.5822 39.4973 174.1565 63 K 5.0694 8.5516 129.3141 54.9890 33.6073 175.1862 64 F 4.9508 8.9129 122.1352 55.8431 42.0154 173.0121 65 T 4.8422 8.5832 108.9112 61.0761 70.2547 175.1080 66 G 4.2528 7.7981 109.4411 46.6073 0.0000 172.0461 67 G 4.1081 8.4757 111.3595 45.0845 0.0000 174.6102 68 S 3.9743 8.4293 114.5334 60.6489 63.1159 175.1549 69 Y 5.0027 7.7946 115.1165 57.3606 40.3000 175.2090 70 K 4.8510 7.9653 118.5178 53.4723 35.7370 175.3158 71 P 3.1381 0.0000 0.0000 64.2843 31.5849 176.0397 72 E 4.7936 7.6022 117.1819 53.8939 33.2961 175.1595 73 T 4.7295 8.0411 111.6237 59.0630 72.8626 173.3555 74 P 4.2946 0.0000 0.0000 65.7981 31.6904 178.7454 75 G 3.8832 8.1035 104.0834 47.2452 0.0000 176.0748 76 G 3.6679 8.1705 108.0738 47.5421 0.0000 175.6823 77 K 4.2275 8.1896 119.1165 58.3883 32.3471 178.9700 78 T 4.1442 7.6670 116.4689 65.9336 68.3587 176.7193 79 V 3.6834 7.1931 118.3466 66.3689 31.5098 177.0890 80 R 3.9908 8.1147 115.1075 59.4401 30.8739 178.0145 81 R 3.4505 7.6808 109.5982 59.8816 29.8181 176.9976 82 S 4.2968 9.0522 119.6228 59.4635 62.5902 175.2575 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 10 R 8.11 4.23 0.00 1.98 1.37 0.00 2.93 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 11 S 8.64 3.99 0.00 4.08 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 12 G 7.56 3.71 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 0.00 0.00 0.00 13 R 7.63 4.13 0.00 1.87 1.96 0.00 2.86 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.15 0.00 14 F 8.55 5.06 0.00 3.47 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 3.71 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 0.00 0.00 0.00 16 A 8.46 4.51 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 17 R 7.13 4.29 0.00 0.67 0.68 0.00 2.92 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.28 0.00 18 Y 8.32 4.11 0.00 3.04 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 19 G 8.04 3.98 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 0.00 0.00 0.00 20 R 7.96 3.76 0.00 1.83 1.87 0.00 3.27 0.00 0.00 3.16 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 21 V 7.70 3.46 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 1.07 0.00 0.00 0.94 0.00 0.00 22 S 8.06 4.15 0.00 3.92 3.90 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 23 R 7.71 4.68 0.00 2.43 2.52 0.00 3.15 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.75 0.00 24 R 8.47 4.39 0.00 1.93 2.13 0.00 3.10 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 25 R 7.83 3.98 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 26 V 7.62 3.57 2.25 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 1.13 0.00 0.00 1.16 0.00 0.00 27 A 7.55 3.95 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 3.88 0.00 2.12 2.03 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 2.34 2.46 0.00 29 I 8.24 3.68 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 0.48 0.00 0.00 30 E 8.33 4.14 0.00 2.05 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 2.30 2.47 0.00 31 S 8.34 4.03 0.00 4.00 3.95 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 32 E 8.65 4.22 0.00 2.00 2.03 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 2.38 2.21 0.00 33 M 7.65 5.04 0.00 2.32 2.49 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.74 0.00 34 N 8.01 4.86 0.00 2.80 2.89 0.00 0.00 7.09 7.75 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 35 E 7.20 4.10 0.00 2.04 1.85 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 2.38 2.48 0.00 36 D 8.36 4.47 0.00 2.53 2.69 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 37 H 8.64 5.00 0.00 3.08 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.52 4.59 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 39 C 9.51 4.16 0.00 3.03 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 40 P 0.00 4.23 0.00 1.98 1.90 0.00 3.35 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.84 0.00 41 N 7.95 4.18 0.00 1.61 2.58 0.00 0.00 6.85 7.65 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 42 C 7.03 5.04 0.00 3.22 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 4.16 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 0.00 44 E 8.17 4.14 0.00 2.10 1.92 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 1.84 2.21 0.00 45 D 8.00 5.61 0.00 2.54 2.54 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 0.00 46 R 7.62 4.73 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 47 V 8.14 4.81 2.28 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 1.10 0.00 0.00 1.18 0.00 0.00 48 D 9.31 5.39 0.00 2.67 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 49 R 8.74 3.55 0.00 1.08 1.49 0.00 2.93 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 50 Q 9.04 4.35 0.00 1.76 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 51 G 6.74 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.13 3.61 4.12 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 1.05 0.00 0.00 53 G 8.56 4.31 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 54 I 6.95 4.66 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.06 0.72 0.00 0.00 55 W 8.55 5.00 0.00 1.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 9.09 5.11 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 57 C 9.25 5.16 0.00 3.34 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 58 S 8.91 4.20 0.00 4.12 4.08 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 59 Y 7.85 4.40 0.00 2.87 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 60 C 7.92 4.17 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.58 0.00 2.87 2.87 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 62 Y 7.61 4.54 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.55 5.07 0.00 1.79 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.35 7.81 64 F 8.91 4.95 0.00 2.98 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 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 1.21 0.00 0.00 66 G 7.80 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 0.00 0.00 0.00 0.00 67 G 8.48 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 0.00 0.00 0.00 68 S 8.43 3.97 0.00 3.15 2.66 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 0.00 0.00 0.00 0.00 69 Y 7.79 5.00 0.00 3.19 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 70 K 7.97 4.85 0.00 1.84 1.54 0.00 1.85 0.00 0.00 1.99 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.51 7.81 71 P 0.00 3.14 0.00 1.84 0.84 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.15 0.00 72 E 7.60 4.79 0.00 1.85 1.80 0.00 0.00 0.00 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 2.21 0.00 73 T 8.04 4.73 4.26 0.00 0.00 0.00 0.00 0.00 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 74 P 0.00 4.29 0.00 2.05 2.19 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 75 G 8.10 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 76 G 8.17 3.67 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 0.00 0.00 0.00 77 K 8.19 4.23 0.00 1.73 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.26 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.64 7.81 78 T 7.67 4.14 4.47 0.00 0.00 0.00 0.00 0.00 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 79 V 7.19 3.68 2.19 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 0.84 0.00 0.00 0.97 0.00 0.00 80 R 8.11 3.99 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 81 R 7.68 3.45 0.00 2.02 1.79 0.00 3.20 0.00 0.00 3.27 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 S 9.05 4.30 0.00 3.97 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