NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2295 8.2493 123.5819 53.0393 19.0360 176.3004 2 T 3.3178 8.1003 116.8141 61.5293 67.9770 171.4611 3 C 4.7450 8.1498 113.7270 57.0799 42.9333 175.8495 4 E 3.8149 8.0631 121.0518 58.3902 29.3044 176.4100 5 D 4.6961 8.1577 116.5825 55.2154 41.5672 176.1788 6 C 4.7752 8.0993 115.5533 57.4966 37.9559 172.9733 7 P 4.4170 0.0000 0.0000 63.1495 31.5738 176.7713 8 E 4.3985 7.9554 117.7599 57.3728 29.6830 176.4634 9 H 4.4723 8.3828 118.4333 57.4402 30.1328 174.8646 10 C 4.7229 7.9813 118.3363 57.0163 43.5913 174.1406 11 A 4.6349 7.5532 121.9966 54.7269 18.1067 179.2821 12 T 3.9296 7.2562 113.1121 66.2790 68.4667 173.6449 13 Q 4.5455 7.9346 115.1893 56.5886 31.5234 175.9261 14 N 5.0102 8.0122 113.1718 52.8257 42.0774 174.5143 15 A 4.4733 8.1057 122.3246 51.1409 22.7987 172.5305 16 R 4.8385 8.8353 114.5203 56.8437 34.0942 174.6432 17 A 5.1091 7.6493 116.9728 51.7236 23.3336 175.9811 18 K 4.2709 8.4441 116.0293 55.5993 36.5675 174.6706 19 C 5.4489 7.9507 121.2046 56.8587 45.9267 173.4248 20 D 4.6238 7.6909 126.8368 53.9483 41.4534 176.1789 21 N 4.4469 8.6435 113.0393 56.0955 37.3770 175.2046 22 D 4.5580 7.7813 114.8331 52.8757 42.5489 175.0252 23 K 4.5461 7.6387 116.8338 55.5997 35.6441 175.5085 24 C 5.3306 8.7744 121.8112 55.4379 38.7866 172.9546 25 V 4.0820 7.6206 117.7982 61.7491 34.2257 174.6125 26 C 5.2337 8.8465 117.7351 57.0893 39.8477 172.5607 27 E 4.9741 8.9459 119.4524 53.8981 33.9410 173.5580 28 P 4.9212 0.0000 0.0000 61.7560 33.1044 176.5152 29 K 4.1453 8.3711 118.0957 57.1928 32.8243 176.8231 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 1 A 8.25 4.23 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 2 T 8.10 3.32 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 1.21 0.00 0.00 3 C 8.15 4.74 0.00 3.13 3.35 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 4 E 8.06 3.81 0.00 1.93 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 0.00 2.29 2.36 0.00 5 D 8.16 4.70 0.00 2.65 2.65 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 0.00 0.00 0.00 6 C 8.10 4.78 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 7 P 0.00 4.42 0.00 2.27 2.29 0.00 3.81 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 2.07 1.91 0.00 8 E 7.96 4.40 0.00 2.03 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 0.00 2.33 2.35 0.00 9 H 8.38 4.47 0.00 3.17 3.35 0.00 5.57 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.98 4.72 0.00 3.05 3.31 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 11 A 7.55 4.63 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 12 T 7.26 3.93 4.28 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 0.00 0.00 0.00 1.16 0.00 0.00 13 Q 7.93 4.55 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 14 N 8.01 5.01 0.00 2.66 2.81 0.00 0.00 6.58 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 15 A 8.11 4.47 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 16 R 8.84 4.84 0.00 1.81 1.87 0.00 3.14 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 17 A 7.65 5.11 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 18 K 8.44 4.27 0.00 1.55 1.67 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.43 7.81 19 C 7.95 5.45 0.00 2.89 2.97 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 20 D 7.69 4.62 0.00 2.42 2.75 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 21 N 8.64 4.45 0.00 2.88 2.94 0.00 0.00 6.65 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.78 4.56 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.64 4.55 0.00 1.83 1.83 0.00 1.38 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.62 7.81 24 C 8.77 5.33 0.00 2.84 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 25 V 7.62 4.08 2.07 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 0.76 0.00 0.00 0.93 0.00 0.00 26 C 8.85 5.23 0.00 2.88 3.05 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 27 E 8.95 4.97 0.00 1.86 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 2.21 2.23 0.00 28 P 0.00 4.92 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 29 K 8.37 4.15 0.00 1.89 1.83 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81