NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2585 8.2644 123.5803 52.1275 19.9456 175.3078 4 Q 4.3658 8.3617 120.1708 53.7766 30.7362 173.1707 5 K 4.4622 8.2475 125.1269 55.1633 34.9966 176.9756 6 S 4.2574 8.0423 118.4223 58.0975 64.8364 173.2493 7 F 4.5179 8.4266 115.8428 60.7469 39.3570 177.2989 8 R 4.5341 7.9740 116.3354 56.6277 30.1062 177.8872 9 I 4.0086 7.6586 120.5139 63.5707 38.1477 177.8661 10 K 4.0281 7.9310 119.6880 59.1372 31.9424 178.6770 11 Q 4.3695 7.9589 116.2192 56.9257 29.2066 178.0007 12 K 4.0485 7.9250 120.0644 59.4603 32.1950 178.6856 13 M 4.0881 8.0089 118.1773 58.3970 32.2021 178.1873 14 A 4.0338 8.0364 121.0890 54.8088 18.5756 179.5386 15 K 3.8796 8.1340 118.1091 59.5757 32.0643 178.9893 16 A 3.9937 7.6443 119.5693 55.0619 18.1428 179.2440 17 K 4.0946 8.1601 117.6824 58.7803 32.0063 178.9654 18 K 4.0578 8.0373 120.2893 59.2501 32.0337 177.8973 19 Q 4.2319 8.0141 116.1464 56.5287 28.6315 176.5041 20 N 4.7341 7.4930 116.9211 53.5377 39.3090 174.7319 21 R 4.2431 6.9231 118.4841 55.4278 30.9548 173.9471 22 P 4.5923 0.0000 0.0000 61.9973 32.1595 175.9562 23 L 4.1641 8.2045 118.5475 53.9888 42.3343 175.8709 24 P 4.4422 0.0000 0.0000 63.0442 31.8244 177.0556 25 Q 4.4013 8.5889 119.5647 56.2170 29.3489 176.7160 26 W 4.2445 8.1236 128.5707 59.6859 31.5396 177.8742 27 I 3.7804 7.6087 118.8310 64.5443 36.5919 178.6407 28 R 4.9797 7.6354 117.2194 55.9652 30.5379 178.2145 29 L 4.3932 7.2565 118.9988 55.5802 43.4906 178.8625 30 R 4.0096 7.6401 117.0893 59.1599 30.4974 178.1650 31 T 3.7949 7.8916 107.5132 64.1676 69.2459 170.4420 32 N 4.4275 8.1597 128.8067 53.6849 35.4742 173.1159 33 N 4.8210 8.8148 124.1126 53.6642 36.8439 175.6946 34 T 3.8896 7.5415 113.2648 63.5171 69.0788 174.0815 35 I 3.5460 8.0535 119.0443 60.6221 38.2396 175.6029 36 R 4.3672 7.9653 122.6420 54.5938 32.7051 174.1626 37 Y 4.9993 8.3907 119.8581 56.2796 40.9211 174.4339 38 N 5.2050 8.3629 117.6538 52.6011 42.4834 175.2292 39 A 4.7665 8.0322 116.7905 51.0051 21.6511 174.9510 40 K 4.3898 8.8649 128.1288 54.9595 40.3500 178.6775 41 R 3.8691 8.7663 115.0864 55.0205 30.8126 178.6550 42 R 4.4633 7.6658 124.7063 57.0428 31.9463 172.1761 43 N 5.1260 7.4519 121.9132 51.1381 41.8421 175.4726 44 W 4.1956 8.3686 120.3402 59.4233 28.7216 177.7420 45 R 3.6569 5.9545 118.6563 58.0433 31.1903 177.2787 46 R 4.0320 7.2395 114.8249 56.7795 28.1579 179.4035 47 T 4.0346 8.8890 111.0594 62.2383 70.0749 174.9576 48 K 4.4545 8.1923 123.1307 55.3030 34.4641 175.5649 49 M 4.4537 8.2304 117.0496 54.7430 32.9748 175.8352 50 N 4.5545 8.4617 115.2342 53.4410 39.0406 175.1410 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 A 8.26 4.26 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 4 Q 8.36 4.37 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 5 K 8.25 4.46 0.00 1.72 1.65 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 6 S 8.04 4.26 0.00 3.84 3.75 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 7 F 8.43 4.52 0.00 3.26 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 8 R 7.97 4.53 0.00 1.86 1.99 0.00 3.22 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 9 I 7.66 4.01 1.87 0.00 0.00 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 1.64 1.64 0.94 0.00 0.00 10 K 7.93 4.03 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.69 7.81 11 Q 7.96 4.37 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 12 K 7.93 4.05 0.00 1.98 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.66 7.81 13 M 8.01 4.09 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 14 A 8.04 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.88 0.00 1.98 2.02 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 16 A 7.64 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.09 0.00 1.93 1.83 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 18 K 8.04 4.06 0.00 2.04 1.93 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 19 Q 8.01 4.23 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 20 N 7.49 4.73 0.00 2.78 2.89 0.00 0.00 7.16 7.53 0.00 0.00 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 R 6.92 4.24 0.00 1.93 1.88 0.00 3.23 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 22 P 0.00 4.59 0.00 2.21 2.12 0.00 3.80 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 2.02 2.01 0.00 23 L 8.20 4.16 0.00 1.70 1.70 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.44 0.00 2.25 2.03 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 25 Q 8.59 4.40 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 26 W 8.12 4.24 0.00 3.42 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 27 I 7.61 3.78 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.91 0.00 0.00 28 R 7.64 4.98 0.00 1.82 1.86 0.00 3.30 0.00 0.00 3.49 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 29 L 7.26 4.39 0.00 1.09 1.29 0.47 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.64 4.01 0.00 1.88 1.96 0.00 3.26 0.00 0.00 3.57 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 31 T 7.89 3.79 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 1.18 0.00 0.00 32 N 8.16 4.43 0.00 2.87 2.94 0.00 0.00 7.42 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 33 N 8.81 4.82 0.00 2.86 3.03 0.00 0.00 7.17 7.54 0.00 0.00 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 T 7.54 3.89 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 1.17 0.00 0.00 35 I 8.05 3.55 1.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.42 0.79 0.00 0.00 36 R 7.97 4.37 0.00 1.67 1.80 0.00 3.30 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 37 Y 8.39 5.00 0.00 3.01 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 38 N 8.36 5.21 0.00 2.71 2.77 0.00 0.00 6.70 7.35 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 39 A 8.03 4.77 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 40 K 8.86 4.39 0.00 1.69 1.49 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.43 7.81 41 R 8.77 3.87 0.00 1.93 1.14 0.00 3.43 0.00 0.00 2.25 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 42 R 7.67 4.46 0.00 1.77 1.98 0.00 3.20 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 43 N 7.45 5.13 0.00 2.49 2.41 0.00 0.00 6.94 7.83 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 44 W 8.37 4.20 0.00 3.62 3.23 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 45 R 5.95 3.66 0.00 0.67 1.22 0.00 3.14 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 0.00 46 R 7.24 4.03 0.00 1.56 1.34 0.00 3.21 0.00 0.00 3.12 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 47 T 8.89 4.03 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 1.18 0.00 0.00 48 K 8.19 4.45 0.00 1.76 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.41 7.81 49 M 8.23 4.45 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 50 N 8.46 4.55 0.00 2.72 2.74 0.00 0.00 6.75 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