NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6549 8.3493 120.5184 53.5293 42.0748 174.6585 4 P 4.6399 0.0000 0.0000 62.1347 33.6543 173.1361 5 K 5.0404 9.3808 121.5850 54.9799 34.9739 176.5147 6 F 5.1862 9.3815 123.1234 55.6219 42.8493 173.5339 7 E 5.1422 9.3725 122.7736 54.3038 31.9932 174.8326 8 A 4.5951 9.0205 129.2509 52.2925 18.8700 177.7204 9 A 4.3902 9.2105 124.9544 52.7814 20.2153 176.6423 10 Y 4.6480 7.6233 110.9594 55.6461 41.9735 175.2554 11 D 4.4823 8.8068 121.3443 55.2725 41.8772 176.7982 12 F 5.2695 9.0606 124.0429 55.8854 39.5844 173.1474 13 P 4.1410 0.0000 0.0000 62.7261 32.3473 179.2371 14 G 3.2392 6.9983 107.2415 45.2083 0.0000 172.8256 15 S 4.5034 9.0050 112.6754 57.4334 64.5306 175.0711 16 G 4.0243 8.4796 107.4845 45.1595 0.0000 174.0522 17 S 4.2181 7.8926 114.7423 58.3835 62.8144 174.7410 18 S 4.4983 8.4706 119.5080 59.5160 63.6121 175.0692 19 S 4.4220 7.9513 117.7124 60.0170 63.0822 173.3171 20 E 5.1581 7.5825 119.8375 54.6708 31.4564 175.5928 21 L 4.6882 8.5746 125.2251 52.7045 43.3901 174.3249 22 P 4.7585 0.0000 0.0000 62.7191 32.1232 176.0751 23 L 5.0070 9.2297 123.6366 53.0360 45.4193 175.7522 24 K 4.9741 8.5780 119.7758 54.1920 35.5178 175.7083 25 K 4.0708 8.5389 123.2343 57.8223 32.3918 177.2720 26 G 4.0414 9.0571 115.1031 44.5710 0.0000 173.4454 27 D 4.5707 7.6080 118.7964 54.4593 42.1845 175.3800 28 I 4.8402 8.0934 121.5341 59.7120 40.0399 175.1328 29 V 4.5007 8.5810 118.7888 59.7287 36.7156 174.4508 30 F 5.4710 8.8826 120.1645 55.9551 41.3091 175.5071 31 I 5.0586 8.4663 120.8899 60.0536 39.4965 175.1597 32 S 4.6120 8.8044 122.0388 59.4280 64.7719 175.0994 33 R 4.7604 7.6495 117.8174 54.2057 34.2792 173.9391 34 D 5.5054 8.8788 122.2457 52.6716 43.5536 175.3432 35 E 4.9795 9.3311 122.2767 53.7340 32.6511 175.6438 36 P 4.3441 0.0000 0.0000 65.3348 31.7413 177.8490 37 S 4.0770 8.0862 113.2879 60.2143 62.8884 175.0604 38 G 3.9475 7.9253 108.4448 44.6468 0.0000 172.6405 39 W 5.2687 7.8840 119.0144 54.7866 32.3408 175.0580 40 S 5.3510 9.5754 118.4898 56.7358 66.3827 173.2587 41 L 3.8252 9.1118 127.0401 54.3049 42.4146 175.1396 42 A 5.2410 8.2381 128.7535 50.1560 21.8896 175.2016 43 K 4.9731 8.7108 121.0117 54.2302 35.8483 175.9705 44 L 4.4323 8.5653 126.6880 54.7473 42.4724 178.4372 45 L 4.0412 8.4475 120.6768 57.8041 41.6786 178.2744 46 D 4.4901 8.0962 115.4996 53.6532 39.8556 177.1014 47 G 3.9897 8.0259 108.1581 45.9012 0.0000 174.7719 48 S 4.3648 8.1010 115.0972 60.0482 63.7618 174.7234 49 K 4.7421 7.7649 119.0593 54.4591 36.4112 174.9429 50 E 4.9994 8.4877 123.9790 54.3999 32.4338 174.7846 51 G 4.0485 8.1707 111.5164 45.4238 0.0000 172.6384 52 W 4.9201 8.8220 121.6185 56.7240 30.5344 176.0545 53 V 4.7593 9.2660 115.4239 58.7411 36.4294 173.3439 54 P 3.6854 0.0000 0.0000 62.5605 31.3852 177.6148 55 T 3.7551 8.2436 121.3763 66.6238 68.6537 176.5460 56 A 4.0155 7.5543 122.8813 55.2144 18.6180 177.7348 57 Y 4.7871 7.9529 112.0313 59.4852 38.2951 174.4917 58 M 5.2546 7.8621 120.6986 53.8064 33.9931 175.3702 59 T 4.8680 8.8325 118.2213 59.2813 70.9931 171.1947 60 P 3.8427 0.0000 0.0000 63.4860 31.8752 175.0199 61 Y 4.5827 7.8172 124.2177 56.5927 40.3134 175.3476 62 K 3.2787 7.2837 124.3722 56.9545 32.2539 174.5573 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 3 D 8.35 4.65 0.00 2.39 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 4 P 0.00 4.64 0.00 2.36 2.28 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 5 K 9.38 5.04 0.00 1.75 1.56 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.59 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.05 1.54 7.81 6 F 9.38 5.19 0.00 2.88 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 7 E 9.37 5.14 0.00 2.16 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 2.26 2.27 0.00 8 A 9.02 4.60 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 9 A 9.21 4.39 1.22 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 0.00 0.00 0.00 10 Y 7.62 4.65 0.00 1.43 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 0.00 0.00 0.00 0.00 11 D 8.81 4.48 0.00 2.59 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 12 F 9.06 5.27 0.00 3.55 3.14 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 0.00 13 P 0.00 4.14 0.00 2.14 2.13 0.00 3.96 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 14 G 7.00 3.24 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 0.00 0.00 0.00 0.00 15 S 9.00 4.50 0.00 3.91 3.99 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 0.00 0.00 0.00 16 G 8.48 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 0.00 0.00 0.00 17 S 7.89 4.22 0.00 3.88 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 18 S 8.47 4.50 0.00 4.03 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 19 S 7.95 4.42 0.00 3.85 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.58 5.16 0.00 2.10 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 0.00 2.70 2.25 0.00 21 L 8.57 4.69 0.00 1.79 1.76 0.96 0.98 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 22 P 0.00 4.76 0.00 2.01 1.94 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 23 L 9.23 5.01 0.00 1.85 1.67 1.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.58 4.97 0.00 1.87 1.73 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 25 K 8.54 4.07 0.00 1.87 1.68 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.31 7.81 26 G 9.06 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 27 D 7.61 4.57 0.00 2.89 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 28 I 8.09 4.84 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.53 0.34 0.00 0.00 29 V 8.58 4.50 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 0.76 0.00 0.00 0.98 0.00 0.00 30 F 8.88 5.47 0.00 2.99 2.90 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 31 I 8.47 5.06 1.62 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.68 0.00 0.00 32 S 8.80 4.61 0.00 3.83 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 33 R 7.65 4.76 0.00 1.67 1.91 0.00 3.07 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 34 D 8.88 5.51 0.00 2.55 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 35 E 9.33 4.98 0.00 2.02 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 2.36 2.48 0.00 36 P 0.00 4.34 0.00 2.17 2.18 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 S 8.09 4.08 0.00 4.13 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 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 0.00 0.00 0.00 39 W 7.88 5.27 0.00 3.11 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 40 S 9.58 5.35 0.00 3.68 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 41 L 9.11 3.83 0.00 0.27 1.09 -0.38 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.24 5.24 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 43 K 8.71 4.97 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 44 L 8.57 4.43 0.00 1.69 1.59 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.45 4.04 0.00 1.57 1.67 0.69 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.10 4.49 0.00 2.81 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 47 G 8.03 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.10 4.36 0.00 4.04 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 49 K 7.76 4.74 0.00 1.68 1.68 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 50 E 8.49 5.00 0.00 1.88 1.71 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 1.99 2.30 0.00 51 G 8.17 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 52 W 8.82 4.92 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.27 4.76 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 54 P 0.00 3.69 0.00 0.91 0.88 0.00 2.79 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.83 0.00 55 T 8.24 3.76 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 1.15 0.00 0.00 56 A 7.55 4.02 1.11 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 57 Y 7.95 4.79 0.00 3.11 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 58 M 7.86 5.25 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.77 0.00 59 T 8.83 4.87 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 1.39 0.00 0.00 60 P 0.00 3.84 0.00 1.85 1.73 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 61 Y 7.82 4.58 0.00 2.88 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 62 K 7.28 3.28 0.00 1.44 1.33 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.02 1.12 7.81