NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 V 3.9558 8.0544 120.3066 61.6770 32.8319 175.8952 23 D 4.3234 7.9729 121.1067 52.2771 40.1346 175.4871 24 A 3.6586 7.5995 127.6059 54.4293 19.1948 178.1232 25 E 2.5400 6.8287 115.2477 59.1430 29.1846 178.8977 26 A 3.8311 7.5567 120.1154 54.5874 18.6401 179.1224 27 V 3.5591 7.5150 116.5086 66.1997 31.5056 178.0742 28 V 3.5639 7.6179 117.8555 66.3288 31.1847 177.8262 29 Q 4.2378 8.2712 115.2931 57.7427 28.5047 176.9822 30 Q 4.5865 8.0569 119.2647 55.5104 29.3876 174.6140 31 K 4.5216 8.4492 115.1126 58.0653 35.6364 178.6048 32 C 4.3270 8.1858 115.7717 62.6733 28.6533 176.0997 33 I 4.0230 7.9627 112.6988 63.9686 37.0407 177.7744 34 S 4.1327 7.3245 116.6255 61.1411 63.1528 174.8346 35 C 4.6712 8.0496 115.0842 61.5999 30.3871 175.5901 36 H 4.2551 8.6382 115.9768 56.7284 28.6980 176.0866 37 G 4.3484 8.5863 107.1922 45.3691 0.0000 174.6750 38 G 3.9796 8.6608 110.1123 48.5909 0.0000 174.3051 39 D 4.4913 8.0951 117.6134 54.0762 41.7047 177.6982 40 L 4.0807 8.3872 119.0526 55.4930 39.6340 175.5444 41 T 4.1606 7.4705 107.5753 61.4121 69.2189 173.4918 42 G 4.1044 8.6791 114.5893 45.7183 0.0000 171.7536 43 A 4.4804 7.6705 125.4554 52.4168 21.5903 175.8404 44 S 4.5119 8.6690 112.4422 57.7590 63.8706 173.9365 45 A 4.5316 7.2418 122.8436 50.2015 21.7760 174.0823 46 P 4.5569 0.0000 0.0000 62.1376 32.1727 176.2015 47 A 4.3301 8.4882 123.5975 52.4252 18.8574 177.5947 48 I 4.2773 8.2563 115.3041 60.4341 38.6754 176.9760 49 D 4.3274 7.8080 122.2260 57.0496 41.1992 178.1847 50 K 4.4908 7.7004 116.9604 56.2788 33.4769 178.1386 51 A 3.9016 8.5265 124.5488 56.2944 18.0934 180.1662 52 G 4.0506 7.6471 103.5392 46.9468 0.0000 175.3353 53 A 4.1716 7.6730 121.5263 54.7974 18.9831 178.7965 54 N 4.1486 7.6009 113.6886 55.2028 38.9448 175.1309 55 Y 5.0271 7.4476 115.4537 55.3893 41.9925 175.9210 56 S 4.4904 8.5043 116.6540 57.3971 64.8017 174.7442 57 E 3.9759 8.7890 123.3627 59.9309 28.9302 178.9958 58 E 3.9562 8.2782 118.7890 59.2801 29.4912 179.2646 59 E 3.9103 7.9835 117.6752 59.4174 29.7742 179.2064 60 I 3.7307 8.0936 120.1736 64.1958 37.1471 177.9957 61 L 3.9122 8.4266 121.5028 58.3239 41.7909 178.2882 62 D 4.3238 7.9368 117.5452 57.6498 41.0939 178.3024 63 I 3.8898 7.9635 121.6815 63.8812 37.0665 178.4759 64 I 3.7332 8.2366 120.7839 64.5394 36.7593 178.6227 65 L 4.1360 8.2299 118.8043 56.8192 41.3949 177.6759 66 N 4.9417 8.0598 114.0890 52.1038 40.9576 176.4844 67 G 3.9067 7.8520 106.8170 46.8600 0.0000 172.8043 68 Q 4.5657 9.0799 121.8722 57.4490 34.4205 175.0491 69 G 3.8697 9.1727 112.0041 46.3185 0.0000 176.2078 70 G 3.6006 9.1512 115.7292 47.8597 0.0000 173.6740 71 M 4.1128 8.4378 121.9453 54.4733 32.3524 173.4158 72 P 4.6547 0.0000 0.0000 61.9786 32.3105 176.4777 73 G 3.6235 8.5254 112.4312 46.7178 0.0000 172.9819 74 G 3.7811 8.7194 110.7486 46.3861 0.0000 175.5305 75 I 3.7436 8.2005 120.9673 63.5482 37.4656 176.6964 76 A 4.9836 7.5780 120.1155 49.7541 20.8229 175.8565 77 K 4.5636 7.8925 118.4831 55.7455 36.7717 178.1730 78 G 3.7984 8.5338 108.5793 45.1841 0.0000 173.7047 79 A 4.0162 8.5522 118.9239 54.9580 17.9200 179.1740 80 E 3.7238 8.3620 117.3722 59.9181 29.4836 178.9179 81 A 4.0050 8.1352 120.0564 55.2974 18.5144 178.9602 82 E 3.8698 8.3188 116.2550 59.7783 29.5333 179.1406 83 A 4.0041 8.5246 120.5407 55.4943 18.5069 179.4461 84 V 3.5412 8.0526 116.4368 66.2769 31.5434 177.6797 85 A 4.0392 8.5538 120.2884 55.4416 18.3415 179.5406 86 A 3.9702 8.5206 119.2999 54.9754 18.4981 179.4345 87 W 4.2190 8.7322 127.3749 60.9102 30.6316 178.1099 88 L 3.7222 8.8429 118.8817 57.6208 40.7892 179.1466 89 A 3.9946 8.1978 120.3083 55.5115 18.3214 179.2830 90 E 4.1972 7.8568 115.6630 58.2019 29.7454 177.6170 91 K 3.9435 7.5127 119.9149 55.8817 31.7613 177.3586 92 K 4.0929 8.2341 122.7393 56.4186 32.7700 176.4195 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 22 V 8.05 3.96 2.05 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 0.88 0.00 0.00 0.89 0.00 0.00 23 D 7.97 4.32 0.00 2.81 2.49 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 24 A 7.60 3.66 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.83 2.54 0.00 2.03 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 2.06 2.25 0.00 26 A 7.56 3.83 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 27 V 7.52 3.56 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 1.00 0.00 0.00 0.86 0.00 0.00 28 V 7.62 3.56 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 1.26 0.00 0.00 0.92 0.00 0.00 29 Q 8.27 4.24 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.12 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 30 Q 8.06 4.59 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 31 K 8.45 4.52 0.00 1.81 1.74 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.51 7.81 32 C 8.19 4.33 0.00 3.06 3.02 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 0.00 0.00 0.00 0.00 33 I 7.96 4.02 1.97 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 1.48 1.07 1.05 0.00 0.00 34 S 7.32 4.13 0.00 4.15 4.02 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 0.00 0.00 0.00 0.00 35 C 8.05 4.67 0.00 2.86 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 36 H 8.64 4.26 0.00 3.25 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.59 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 39 D 8.10 4.49 0.00 2.81 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 40 L 8.39 4.08 0.00 1.87 1.83 1.02 0.57 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 41 T 7.47 4.16 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 1.28 0.00 0.00 42 G 8.68 4.10 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 0.00 0.00 0.00 43 A 7.67 4.48 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 44 S 8.67 4.51 0.00 3.82 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 45 A 7.24 4.53 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.25 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 47 A 8.49 4.33 1.31 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 48 I 8.26 4.28 1.84 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 1.08 0.98 0.93 0.00 0.00 49 D 7.81 4.33 0.00 2.76 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 50 K 7.70 4.49 0.00 1.87 2.01 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.30 7.81 51 A 8.53 3.90 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 52 G 7.65 4.05 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 0.00 0.00 0.00 53 A 7.67 4.17 1.25 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 54 N 7.60 4.15 0.00 2.13 1.42 0.00 0.00 6.89 7.41 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 55 Y 7.45 5.03 0.00 2.87 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 56 S 8.50 4.49 0.00 3.93 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 3.98 0.00 2.23 2.26 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 2.39 2.40 0.00 58 E 8.28 3.96 0.00 2.04 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 0.00 2.42 2.44 0.00 59 E 7.98 3.91 0.00 2.17 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 2.40 2.35 0.00 60 I 8.09 3.73 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.99 0.00 0.00 61 L 8.43 3.91 0.00 1.79 1.89 0.98 1.14 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 62 D 7.94 4.32 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.89 2.01 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 1.39 0.98 0.00 0.00 64 I 8.24 3.73 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.93 0.00 0.00 65 L 8.23 4.14 0.00 1.78 1.73 0.93 0.90 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 66 N 8.06 4.94 0.00 2.83 2.74 0.00 0.00 7.77 8.50 0.00 0.00 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 7.85 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.08 4.57 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 5.60 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 69 G 9.17 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 70 G 9.15 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.44 4.11 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 72 P 0.00 4.65 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 73 G 8.53 3.62 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 0.00 0.00 0.00 74 G 8.72 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 75 I 8.20 3.74 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 1.36 0.70 0.93 0.00 0.00 76 A 7.58 4.98 1.29 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 0.00 0.00 0.00 77 K 7.89 4.56 0.00 1.68 1.65 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.55 7.81 78 G 8.53 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.55 4.02 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 80 E 8.36 3.72 0.00 2.02 2.15 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 2.36 2.37 0.00 81 A 8.14 4.00 1.34 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 0.00 0.00 82 E 8.32 3.87 0.00 2.18 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 0.00 2.42 2.41 0.00 83 A 8.52 4.00 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 84 V 8.05 3.54 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 0.98 0.00 0.00 0.96 0.00 0.00 85 A 8.55 4.04 1.47 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 0.00 0.00 0.00 86 A 8.52 3.97 1.42 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 0.00 0.00 0.00 87 W 8.73 4.22 0.00 3.36 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.84 3.72 0.00 2.03 1.72 1.28 0.76 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 89 A 8.20 3.99 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 90 E 7.86 4.20 0.00 2.06 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 2.33 2.49 0.00 91 K 7.51 3.94 0.00 1.46 1.39 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.88 0.56 7.81 92 K 8.23 4.09 0.00 1.61 1.58 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.46 7.81