NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3014 8.1476 120.3318 55.3059 34.4889 177.2440 2 E 3.9418 8.2341 117.2849 59.4088 29.1837 177.5465 3 Y 3.9853 7.9151 117.3876 60.7997 38.4095 179.7044 4 V 3.5774 7.6416 118.6486 66.1933 31.5878 177.5033 5 Y 4.3049 8.3148 116.5889 60.9698 37.6857 178.1574 6 A 4.0119 8.1232 121.5410 55.2127 18.3691 179.5125 7 A 3.9434 8.0377 118.9786 55.5527 18.5674 179.9963 8 L 3.9989 8.2211 117.5735 57.4638 41.7342 179.3207 9 L 3.9266 8.3012 120.8594 58.2518 41.9902 178.8136 10 L 3.9751 7.8510 118.6645 58.3367 41.6502 179.0801 11 H 4.1365 8.5715 118.3685 59.4103 29.5757 177.4288 12 S 4.2342 8.6141 115.1112 60.6656 62.8105 175.8285 13 V 4.2791 7.4540 113.5591 60.4580 31.5813 176.2392 14 G 3.8460 7.7523 106.1672 46.0857 0.0000 173.8384 15 K 4.5202 8.0265 118.5544 53.8714 33.7799 176.2782 16 E 3.9795 8.5480 123.6007 56.3199 29.9904 177.1852 17 I 4.0778 8.2300 127.6549 60.5263 36.0904 174.7289 18 N 5.1396 8.0234 122.9129 49.9028 41.9399 174.4580 19 E 3.9322 8.5908 119.4132 59.5137 29.6988 178.4137 20 E 3.9821 8.0890 118.0136 59.5042 29.7576 178.9529 21 N 4.3458 8.0806 115.9427 56.2016 38.7151 177.0926 22 L 3.9828 7.8175 120.2929 57.8349 41.7235 179.3235 23 K 3.8528 8.1586 119.0093 59.6356 31.9950 178.4830 24 A 3.9561 7.8977 120.4717 55.1707 18.3698 179.6424 25 V 3.5203 7.6542 116.4781 66.2355 31.6806 178.2627 26 L 3.9523 7.9306 118.5607 57.9918 41.4851 179.5810 27 Q 4.5348 8.6439 119.2836 58.4113 28.3714 178.7128 28 A 4.0409 8.1481 121.1269 54.7972 18.5045 178.9311 29 A 4.1707 7.7817 117.5221 53.2096 18.4703 178.3654 30 G 3.8840 8.0225 105.8834 44.9974 0.0000 173.6607 31 V 4.2935 7.5303 118.0812 59.3324 33.6991 174.7974 32 E 4.4882 8.4646 122.8062 53.9941 29.1546 173.9516 33 P 4.6088 0.0000 0.0000 62.1623 32.6158 176.5760 34 E 4.1918 9.5412 121.4865 56.1554 30.5546 178.0495 35 E 3.9514 8.8674 124.4463 59.3153 29.8613 178.7484 36 A 3.9532 7.8978 120.4125 54.9871 18.5603 179.6886 37 R 3.5694 7.7011 116.2850 59.1359 30.0769 179.0691 38 I 3.6494 7.4579 119.5219 64.4105 37.1205 178.4913 39 K 3.9312 8.2314 120.2582 59.2842 31.9187 178.5332 40 A 3.9175 8.0669 121.2510 54.9973 18.1499 179.3703 41 L 3.8046 7.7160 118.4403 58.2821 42.0183 179.0930 42 V 3.5527 7.4299 116.4313 66.1413 31.8054 177.4893 43 A 4.1026 8.2455 120.1691 55.2207 18.0301 179.5146 44 A 3.9754 7.9859 118.2314 55.1434 18.7119 179.3547 45 L 4.1340 8.2577 116.5271 55.2483 41.6984 176.8105 46 E 4.0948 7.3540 121.2139 57.1911 29.9242 177.0705 47 G 3.8946 8.9238 114.3580 45.3983 0.0000 173.2467 48 V 3.7553 7.1891 119.5570 61.8729 31.4252 176.0081 49 N 4.5860 8.5298 126.9154 52.5174 38.6613 174.9289 50 I 3.6268 8.1376 129.3093 64.4761 37.2675 177.7855 51 D 4.3681 8.1084 118.9402 57.6131 40.7536 178.7080 52 E 3.9615 8.4941 119.0248 59.1273 29.1807 179.5936 53 V 3.5636 7.8594 117.8369 66.0092 31.7241 177.7158 54 I 3.8398 8.1030 118.4467 64.5694 37.0932 177.8035 55 E 4.1128 8.2133 118.6527 58.5803 29.8087 177.7558 56 K 4.6356 7.9008 117.8984 55.7713 34.1599 177.6645 57 A 4.1352 7.9340 121.9103 50.8392 16.8661 178.2372 58 A 4.1759 8.4651 122.8798 53.1837 18.2788 177.7462 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 8.15 4.30 0.00 1.78 2.15 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 2 E 8.23 3.94 0.00 2.17 2.17 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 1.66 1.82 0.00 3 Y 7.92 3.99 0.00 3.03 3.06 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 4 V 7.64 3.58 1.87 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 1.02 0.00 0.00 0.87 0.00 0.00 5 Y 8.31 4.30 0.00 3.00 2.88 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 6 A 8.12 4.01 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 7 A 8.04 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 4.00 0.00 1.80 1.81 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.30 3.93 0.00 1.82 1.98 0.93 0.81 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 10 L 7.85 3.98 0.00 2.15 1.88 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.57 4.14 0.00 3.25 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.61 4.23 0.00 4.02 4.13 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 13 V 7.45 4.28 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 0.76 0.00 0.00 1.03 0.00 0.00 14 G 7.75 3.85 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 0.00 0.00 0.00 15 K 8.03 4.52 0.00 1.83 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.50 7.81 16 E 8.55 3.98 0.00 1.91 1.87 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 2.30 2.41 0.00 17 I 8.23 4.08 1.89 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 1.51 0.69 0.94 0.00 0.00 18 N 8.02 5.14 0.00 2.90 2.91 0.00 0.00 5.77 7.66 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 19 E 8.59 3.93 0.00 2.03 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 2.36 2.42 0.00 20 E 8.09 3.98 0.00 2.10 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 2.41 2.47 0.00 21 N 8.08 4.35 0.00 2.78 2.88 0.00 0.00 7.07 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 22 L 7.82 3.98 0.00 2.09 1.80 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.16 3.85 0.00 1.97 2.00 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.51 7.81 24 A 7.90 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 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 1.03 0.00 0.00 0.98 0.00 0.00 26 L 7.93 3.95 0.00 1.95 1.65 0.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.64 4.53 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 28 A 8.15 4.04 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 29 A 7.78 4.17 1.33 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 30 G 8.02 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 31 V 7.53 4.29 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 0.70 0.00 0.00 0.91 0.00 0.00 32 E 8.46 4.49 0.00 1.93 1.94 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 2.24 2.36 0.00 33 P 0.00 4.61 0.00 2.45 2.07 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 34 E 9.54 4.19 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 35 E 8.87 3.95 0.00 2.09 1.94 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 2.38 2.43 0.00 36 A 7.90 3.95 1.27 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 0.00 0.00 37 R 7.70 3.57 0.00 1.26 0.66 0.00 3.21 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 38 I 7.46 3.65 2.06 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 1.64 1.19 0.95 0.00 0.00 39 K 8.23 3.93 0.00 1.84 1.77 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 40 A 8.07 3.92 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 41 L 7.72 3.80 0.00 1.85 1.82 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.43 3.55 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 0.87 0.00 0.00 0.95 0.00 0.00 43 A 8.25 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.98 1.33 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 45 L 8.26 4.13 0.00 2.00 1.71 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.35 4.09 0.00 2.00 1.94 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 2.32 2.25 0.00 47 G 8.92 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 48 V 7.19 3.76 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 0.74 0.00 0.00 0.99 0.00 0.00 49 N 8.53 4.59 0.00 2.79 2.72 0.00 0.00 7.15 7.70 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 50 I 8.14 3.63 1.58 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.60 0.71 0.00 0.00 51 D 8.11 4.37 0.00 2.79 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 52 E 8.49 3.96 0.00 2.03 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 2.33 2.32 0.00 53 V 7.86 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 54 I 8.10 3.84 2.03 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 1.61 0.93 0.93 0.00 0.00 55 E 8.21 4.11 0.00 1.96 2.12 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 2.33 2.46 0.00 56 K 7.90 4.64 0.00 1.80 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.49 7.81 57 A 7.93 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.18 1.26 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 0.00 0.00 0.00