NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3842 8.1749 110.9443 61.2942 70.4450 173.6956 6 N 4.8181 7.9648 118.4168 53.0113 39.1080 173.6706 7 S 4.5110 8.8030 115.1445 57.9334 64.9673 173.4622 8 D 4.8047 8.6068 121.6092 55.0949 41.7942 175.5029 9 F 5.3661 7.9891 114.1019 55.5063 41.7780 173.9298 10 V 4.6115 8.8181 112.1258 59.5890 35.2113 174.8652 11 V 4.9061 8.8269 124.7962 61.4069 33.8287 174.4575 12 I 4.9786 9.0767 128.2627 59.3865 40.7528 174.0914 13 K 5.0467 9.1169 128.8950 54.1462 34.4528 175.0784 14 A 4.3858 8.8854 130.6057 52.4356 19.0945 177.4059 15 L 4.7227 8.9859 122.1240 54.6828 42.6827 175.6741 16 E 4.7352 7.6646 115.7726 55.0033 32.6870 174.3893 17 D 4.4854 8.5611 119.8593 55.0140 41.6480 176.9829 18 G 3.8178 8.8282 109.6725 45.8779 0.0000 173.7924 19 V 3.8864 7.6496 120.0414 62.8004 32.7369 174.4849 20 N 5.3212 9.1497 125.1460 51.4444 41.5509 173.6254 21 V 4.5470 8.6973 124.1959 61.4051 33.5743 174.1884 22 I 4.6936 8.8116 129.9260 59.3692 39.7753 174.9722 23 G 4.1717 8.8581 114.9373 45.0153 0.0000 172.4203 24 L 5.4894 8.9149 125.9302 53.0759 44.0060 176.2677 25 T 4.5851 8.7353 114.6864 61.8087 69.1028 174.3089 26 R 4.3276 7.9298 126.7010 56.9515 30.5405 174.8443 27 G 3.7309 8.8038 108.7317 44.1005 0.0000 174.0181 28 A 4.0646 8.6282 121.1127 54.2744 18.6556 177.5652 29 D 4.7813 7.2378 111.5526 53.0561 42.6091 175.7943 30 T 4.7458 8.3047 121.6006 61.9320 71.0144 173.1545 31 R 4.5627 8.8326 122.2655 54.3584 33.7275 174.1651 32 F 5.2793 8.3410 119.0238 57.9113 39.0651 175.2503 33 H 4.9918 9.0610 118.3105 56.2159 30.5864 174.0746 34 H 4.8021 7.7868 118.0686 54.9145 33.3995 171.8463 35 S 4.8277 8.3671 120.0624 56.4622 64.2396 172.5573 36 E 4.3496 9.1287 130.0899 54.8563 30.6996 174.6993 37 K 4.7243 8.5922 129.1662 55.7376 33.4911 175.5408 38 L 5.0124 9.2405 127.5413 53.1837 44.6024 175.6913 39 D 5.1542 9.4642 123.0669 51.7752 44.2589 175.7543 40 K 3.8855 8.6195 121.3115 58.8320 32.1266 177.0385 41 G 3.9848 8.9345 115.6483 44.9896 0.0000 173.2015 42 E 4.2635 8.2224 119.9599 56.2036 30.8744 175.9608 43 V 4.9025 8.2700 121.8569 61.0037 34.4747 174.2255 44 L 4.7405 9.1423 129.7378 53.2443 44.9126 174.8318 45 I 5.0050 8.4911 126.4840 59.6158 39.1924 174.7110 46 A 4.7078 8.7900 129.0227 50.0860 21.9335 175.3514 47 Q 4.8081 8.6376 120.8900 55.0376 30.3384 175.8625 48 F 4.6656 8.4828 120.3877 58.0621 38.6069 175.0866 49 T 4.6943 8.9272 110.9679 60.2092 71.9425 173.9732 50 E 4.0981 8.9552 121.2942 59.4790 29.6313 177.3584 51 H 4.5288 7.8172 112.5481 56.4499 29.7627 174.3449 52 T 5.1245 8.1596 116.5070 61.9827 71.0064 174.4220 53 S 5.0183 9.1728 120.5450 58.0802 64.8165 173.4607 54 A 5.1574 7.9025 121.2502 51.2404 22.5737 175.1668 55 I 5.0217 8.5441 120.1497 59.3703 40.9880 174.6655 56 K 4.5520 8.9283 128.0203 54.5207 34.6140 174.6113 57 V 4.8074 8.3878 126.8758 61.2042 33.4422 174.6649 58 R 4.5518 9.2514 126.9569 55.6381 33.1906 176.4184 59 G 4.1302 8.9599 108.3487 44.3364 0.0000 172.5356 60 K 4.5082 9.3622 120.7683 56.2007 33.0715 175.6223 61 A 5.1081 9.0024 128.1687 50.9462 23.4551 173.7482 62 Y 4.8314 9.1001 121.7284 56.0477 40.9030 174.5606 63 I 5.0658 8.4642 127.5687 59.5799 40.7301 174.4349 64 Q 5.1819 8.9832 125.5357 54.4305 31.8754 174.8603 65 T 4.7880 8.6842 112.4753 59.6865 72.5504 174.4446 66 R 3.7561 8.5832 120.8695 59.7360 29.7755 176.6800 67 H 4.5692 7.9746 112.7672 55.9319 29.6695 174.6196 68 G 3.6861 6.9696 106.1419 44.2736 0.0000 172.3917 69 V 4.5034 7.9889 120.8509 61.7859 33.0675 176.5415 70 I 4.6622 8.6539 126.0401 59.4631 42.0450 173.2058 71 E 5.1502 8.5575 125.8603 54.4794 32.3467 175.9005 72 S 4.6123 8.5922 118.7303 57.8638 65.1877 172.8956 73 E 4.9528 8.5060 120.1463 54.0057 32.7088 176.2315 74 G 4.0042 8.9848 111.5470 46.2671 0.0000 172.9762 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 5 T 8.17 4.38 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 1.23 0.00 0.00 6 N 7.96 4.82 0.00 2.81 2.88 0.00 0.00 7.08 6.68 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 7 S 8.80 4.51 0.00 4.10 3.97 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 8 D 8.61 4.80 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 9 F 7.99 5.37 0.00 3.03 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 10 V 8.82 4.61 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 0.70 0.00 0.00 0.86 0.00 0.00 11 V 8.83 4.91 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 1.05 0.00 0.00 1.20 0.00 0.00 12 I 9.08 4.98 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.45 0.92 0.00 0.00 13 K 9.12 5.05 0.00 1.85 1.75 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 A 8.89 4.39 1.35 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 15 L 8.99 4.72 0.00 1.63 1.72 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.74 0.00 1.92 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 2.18 2.34 0.00 17 D 8.56 4.49 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 3.89 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 0.91 0.00 0.00 1.03 0.00 0.00 20 N 9.15 5.32 0.00 2.56 2.57 0.00 0.00 6.24 8.32 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 21 V 8.70 4.55 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 0.81 0.00 0.00 0.90 0.00 0.00 22 I 8.81 4.69 1.51 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.32 -0.06 0.00 0.00 23 G 8.86 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 0.00 0.00 0.00 0.00 24 L 8.91 5.49 0.00 1.92 1.74 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.74 4.59 4.30 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 1.38 0.00 0.00 26 R 7.93 4.33 0.00 1.91 2.01 0.00 3.21 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.80 3.73 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 0.00 0.00 0.00 28 A 8.63 4.06 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 29 D 7.24 4.78 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 30 T 8.30 4.75 4.24 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 0.00 0.00 0.00 1.26 0.00 0.00 31 R 8.83 4.56 0.00 1.76 1.91 0.00 2.78 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 32 F 8.34 5.28 0.00 2.94 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 33 H 9.06 4.99 0.00 3.15 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.79 4.80 0.00 3.28 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.37 4.83 0.00 3.77 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 36 E 9.13 4.35 0.00 2.13 1.79 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 2.26 2.29 0.00 37 K 8.59 4.72 0.00 1.77 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 9.24 5.01 0.00 1.55 1.52 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.46 5.15 0.00 2.52 2.68 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 0.00 0.00 0.00 0.00 40 K 8.62 3.89 0.00 1.72 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 G 8.93 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 42 E 8.22 4.26 0.00 1.98 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 2.32 2.41 0.00 43 V 8.27 4.90 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.14 4.74 0.00 1.72 1.45 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.00 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.56 0.00 0.00 46 A 8.79 4.71 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 47 Q 8.64 4.81 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.48 4.67 0.00 3.04 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 49 T 8.93 4.69 4.30 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 1.31 0.00 0.00 50 E 8.96 4.10 0.00 1.94 1.98 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 2.15 2.30 0.00 51 H 7.82 4.53 0.00 3.24 3.22 0.00 5.80 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 52 T 8.16 5.12 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 1.32 0.00 0.00 53 S 9.17 5.02 0.00 3.88 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 54 A 7.90 5.16 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 55 I 8.54 5.02 1.84 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.88 0.00 0.00 56 K 8.93 4.55 0.00 1.75 1.41 0.00 1.42 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.34 7.81 57 V 8.39 4.81 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.25 4.55 0.00 1.69 1.74 0.00 3.09 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 59 G 8.96 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 0.00 0.00 0.00 60 K 9.36 4.51 0.00 1.90 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 9.00 5.11 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 62 Y 9.10 4.83 0.00 3.05 2.80 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 63 I 8.46 5.07 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.92 0.00 0.00 64 Q 8.98 5.18 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 65 T 8.68 4.79 4.14 0.00 0.00 0.00 0.00 0.00 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 66 R 8.58 3.76 0.00 1.58 1.73 0.00 3.23 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 67 H 7.97 4.57 0.00 3.19 3.29 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 68 G 6.97 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 0.00 0.00 0.00 69 V 7.99 4.50 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.87 0.00 0.00 70 I 8.65 4.66 1.81 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 1.20 1.33 0.85 0.00 0.00 71 E 8.56 5.15 0.00 1.82 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 2.27 2.08 0.00 72 S 8.59 4.61 0.00 3.96 3.97 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 73 E 8.51 4.95 0.00 1.82 1.86 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 2.20 2.28 0.00 74 G 8.98 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