NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 F 4.6810 8.1833 119.4339 56.7481 40.6655 176.0185 19 L 3.8281 8.5756 127.9889 57.5467 42.5801 178.0974 20 K 4.0509 8.5436 118.4791 59.4390 32.9913 178.7379 21 G 3.6591 7.9717 106.7231 47.8160 0.0000 174.2772 22 L 4.1870 9.0682 119.6566 55.1161 42.3771 176.9162 23 V 3.9335 7.0380 118.4667 64.6399 31.7166 175.0953 24 N 4.2547 8.8690 121.1457 54.3304 36.8742 173.5468 25 H 4.9242 7.9367 115.2538 53.7322 32.1439 173.9079 26 R 4.5460 8.5357 122.3690 56.5651 30.9127 175.5651 27 V 4.8996 9.8106 120.3918 59.4185 36.4076 174.7709 28 G 4.3244 9.0925 109.1216 44.5101 0.0000 172.1321 29 V 4.7691 9.2164 126.2496 61.0823 33.8038 174.0728 30 K 4.6119 8.1786 129.7771 54.7712 33.9687 175.6592 31 L 4.6284 7.6853 126.5801 53.4728 42.9637 177.2611 32 K 4.1482 8.3862 120.4676 59.2791 32.1780 178.2023 33 F 4.7587 7.1863 112.6795 56.1544 40.4053 176.9710 34 N 4.0114 8.8083 118.0022 54.5036 37.1367 176.4713 35 S 4.6519 8.0997 109.3968 58.5901 62.7004 173.9576 36 T 4.9538 7.4528 117.2628 62.4099 71.6200 175.0059 37 E 4.8079 8.9332 126.4749 54.5326 33.2477 173.7023 38 Y 5.1035 8.9783 125.0554 57.0813 39.7269 174.5878 39 R 5.0095 8.8106 123.9803 54.7314 32.7320 176.1927 40 G 3.9210 8.5674 108.8020 46.6768 0.0000 171.3717 41 T 5.0639 8.0906 117.1004 62.3084 70.1837 174.5878 42 L 4.4876 8.6868 129.2696 55.1225 42.1129 177.4020 43 V 3.8073 8.9488 128.4094 65.5379 32.1437 175.9490 44 S 4.6840 7.7080 112.3705 58.3792 66.3771 173.1729 45 T 5.3325 8.0087 115.4477 64.7125 72.3333 172.4652 46 D 4.5352 8.9018 117.6169 53.7654 41.5214 177.3969 47 N 4.1184 8.6512 119.4448 56.9563 38.6233 176.0017 48 Y 4.0550 8.5680 113.4899 58.6525 37.9194 176.8391 49 F 4.0593 8.7435 118.2613 58.3911 37.3391 173.9111 50 N 5.3890 7.8460 118.7306 52.0095 39.7343 174.3404 51 L 5.0819 8.8077 124.0053 53.8572 44.7288 175.0953 52 Q 4.4702 8.7443 121.8469 54.2384 31.1441 173.8031 53 L 5.0940 8.5801 129.0422 53.2065 44.9463 174.3700 54 N 5.5813 9.0295 124.1350 51.3984 41.9716 173.9292 55 E 3.8401 8.7312 121.4941 57.3297 27.2983 174.9235 56 A 4.5158 8.1122 120.3329 52.0022 20.1789 177.4134 57 E 5.0040 9.4196 123.2733 54.0917 32.8327 174.5328 58 E 4.6013 9.2360 129.1500 56.2524 31.1378 175.2174 59 F 4.9087 9.4406 125.7603 55.5414 42.5342 174.1057 60 V 4.4981 8.5004 123.5436 61.3888 33.6525 175.3088 61 A 3.8300 9.7638 130.7898 53.0594 16.6554 177.5627 62 G 4.0399 8.7845 105.2780 46.7299 0.0000 174.0964 63 V 4.3859 8.1372 120.1795 60.2807 33.6407 174.8305 64 S 3.6254 8.5563 121.9527 58.7944 62.5287 173.3842 65 H 4.6995 8.4121 125.3381 56.0223 29.2407 173.5507 66 G 3.8377 7.5236 105.3894 44.9226 0.0000 173.4284 67 T 4.8617 8.1647 114.7578 61.5678 70.8856 174.0020 68 L 4.6261 8.6544 125.9754 53.5990 44.9991 177.5463 69 G 3.8679 8.7199 110.1371 47.4036 0.0000 176.0302 70 E 5.0299 9.3799 123.5470 55.0853 31.6151 175.1816 71 I 4.9100 8.7787 117.3411 59.0292 41.5840 174.3493 72 F 4.9912 8.9727 121.9222 56.1028 40.9131 174.7622 73 I 4.5606 8.8317 125.3791 59.6719 40.3324 174.9627 74 R 5.1106 8.3693 123.8160 55.1369 31.7662 176.7148 75 C 4.1348 9.3590 119.6769 61.7440 29.9044 176.1301 76 N 4.2029 8.4077 117.5154 55.9076 38.3206 175.8710 77 N 4.6577 8.2094 112.5702 53.9951 38.8775 174.6874 78 V 4.3822 8.2880 120.6777 61.8875 32.5912 174.8563 79 L 4.3827 8.7396 130.5671 56.9515 42.6211 175.6113 80 Y 4.9324 6.8391 114.1034 56.2755 41.5472 172.4664 81 I 5.3151 8.6755 119.8548 59.5527 40.4563 175.2174 82 R 4.7756 9.3042 122.0159 54.3580 33.5640 173.5674 83 E 4.8830 8.5282 120.3554 54.5038 30.4813 175.4627 84 L 4.2677 8.4691 128.3617 53.6250 42.5775 175.4038 85 P 4.1867 0.0000 0.0000 64.1768 31.3259 175.9833 86 N 4.3181 8.0905 119.9572 51.9428 37.4440 174.2832 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 18 F 8.18 4.68 0.00 3.07 2.78 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 19 L 8.58 3.83 0.00 1.64 1.62 -0.01 0.41 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 20 K 8.54 4.05 0.00 1.86 1.89 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 21 G 7.97 3.66 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 0.00 0.00 0.00 22 L 9.07 4.19 0.00 1.88 1.71 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.04 3.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 24 N 8.87 4.25 0.00 2.88 2.81 0.00 0.00 6.83 8.42 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 25 H 7.94 4.92 0.00 3.35 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.54 4.55 0.00 1.90 1.83 0.00 3.12 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 27 V 9.81 4.90 2.21 0.00 0.00 0.00 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 0.98 0.00 0.00 28 G 9.09 4.32 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 0.00 29 V 9.22 4.77 2.18 0.00 0.00 0.00 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 0.97 0.00 0.00 30 K 8.18 4.61 0.00 1.22 0.74 0.00 1.34 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.80 1.08 7.81 31 L 7.69 4.63 0.00 1.03 0.78 0.59 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.39 4.15 0.00 1.78 1.90 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 33 F 7.19 4.76 0.00 3.13 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 34 N 8.81 4.01 0.00 2.89 2.75 0.00 0.00 6.71 7.57 0.00 0.00 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 S 8.10 4.65 0.00 3.79 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 36 T 7.45 4.95 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 0.71 0.00 0.00 37 E 8.93 4.81 0.00 1.83 1.65 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 2.09 2.14 0.00 38 Y 8.98 5.10 0.00 2.97 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 39 R 8.81 5.01 0.00 1.85 1.79 0.00 2.21 0.00 0.00 2.71 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 40 G 8.57 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 0.00 0.00 0.00 41 T 8.09 5.06 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 1.19 0.00 0.00 42 L 8.69 4.49 0.00 1.79 1.58 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.95 3.81 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 0.82 0.00 0.00 0.88 0.00 0.00 44 S 7.71 4.68 0.00 3.91 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 45 T 8.01 5.33 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 46 D 8.90 4.54 0.00 2.82 2.74 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 47 N 8.65 4.12 0.00 2.95 3.04 0.00 0.00 6.98 7.46 0.00 0.00 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 Y 8.57 4.06 0.00 3.52 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 49 F 8.74 4.06 0.00 3.24 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 50 N 7.85 5.39 0.00 2.95 2.86 0.00 0.00 6.55 6.62 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 51 L 8.81 5.08 0.00 1.70 1.70 0.93 0.64 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 52 Q 8.74 4.47 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 53 L 8.58 5.09 0.00 1.63 1.36 0.90 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.03 5.58 0.00 2.64 2.58 0.00 0.00 7.12 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 55 E 8.73 3.84 0.00 2.15 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 0.00 2.23 2.29 0.00 56 A 8.11 4.52 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 57 E 9.42 5.00 0.00 2.12 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 1.98 2.27 0.00 58 E 9.24 4.60 0.00 2.28 1.83 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 2.23 2.26 0.00 59 F 9.44 4.91 0.00 3.10 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 60 V 8.50 4.50 1.68 0.00 0.00 0.00 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 0.59 0.00 0.00 61 A 9.76 3.83 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 62 G 8.78 4.04 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 0.00 0.00 0.00 63 V 8.14 4.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 64 S 8.56 3.63 0.00 3.45 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.41 4.70 0.00 3.03 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.52 3.84 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 0.00 0.00 0.00 67 T 8.16 4.86 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 1.33 0.00 0.00 68 L 8.65 4.63 0.00 1.48 1.57 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.72 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 E 9.38 5.03 0.00 1.95 1.81 0.00 0.00 0.00 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 2.26 0.00 71 I 8.78 4.91 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.14 0.81 0.00 0.00 72 F 8.97 4.99 0.00 2.91 3.08 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 73 I 8.83 4.56 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.97 0.00 0.00 74 R 8.37 5.11 0.00 1.80 1.92 0.00 3.66 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 75 C 9.36 4.13 0.00 3.13 3.69 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 76 N 8.41 4.20 0.00 2.79 2.99 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.21 4.66 0.00 2.87 3.00 0.00 0.00 6.68 7.27 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 78 V 8.29 4.38 2.11 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 0.78 0.00 0.00 1.03 0.00 0.00 79 L 8.74 4.38 0.00 1.56 1.42 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 6.84 4.93 0.00 3.06 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 81 I 8.68 5.32 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.99 0.00 0.00 82 R 9.30 4.78 0.00 1.82 2.06 0.00 2.78 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 83 E 8.53 4.88 0.00 1.98 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 2.22 2.34 0.00 84 L 8.47 4.27 0.00 1.57 1.54 0.91 0.87 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 85 P 0.00 4.19 0.00 2.16 2.08 0.00 3.75 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 1.96 1.93 0.00 86 N 8.09 4.32 0.00 2.87 2.79 0.00 0.00 6.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00