NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9782 8.3544 109.7439 45.9414 0.0000 172.4410 2 I 4.0622 7.6936 114.5477 60.3169 43.4743 171.4177 3 V 3.5410 7.8768 119.2992 65.3961 32.0645 176.9745 4 E 3.8956 8.0382 118.9372 59.3615 29.3872 178.7000 5 Q 4.0801 8.0498 115.4497 58.6835 29.2060 177.8789 6 C 4.6345 7.5302 117.7487 58.4945 41.0282 174.6109 7 C 4.2547 8.4524 117.7205 60.7965 31.1840 174.5860 8 T 4.2771 7.1839 110.6647 64.3017 67.2375 175.8316 9 S 4.6058 7.1750 115.3158 58.0740 64.8151 172.2340 10 I 3.5290 7.6913 123.8291 61.3067 37.1769 172.8250 11 C 4.8207 8.3283 120.0843 55.1655 37.6918 173.4379 12 S 4.4946 8.3000 114.9739 57.5680 63.2299 174.4480 13 L 3.8414 8.4550 126.4887 58.7704 41.4754 179.1663 14 Y 4.3191 7.3996 114.3439 60.8844 37.9464 178.0466 15 Q 4.1747 8.0268 119.3318 58.8879 28.7746 178.4957 16 L 4.2808 7.9313 119.5942 57.8026 41.8359 179.0728 17 E 3.9723 8.1386 118.0638 59.3687 29.1343 178.8152 18 N 4.3872 7.6557 115.1794 54.9551 38.6274 175.1540 19 Y 4.6638 7.5214 116.4619 57.6816 39.0958 175.6523 20 C 4.3912 7.6129 120.2508 59.0522 32.3857 172.7422 21 N 4.5900 8.5345 122.1340 53.7602 38.8148 174.0170 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 G 8.35 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 2 I 7.69 4.06 0.89 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.51 0.68 0.00 0.00 3 V 7.88 3.54 2.03 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 1.03 0.00 0.00 0.85 0.00 0.00 4 E 8.04 3.90 0.00 2.02 1.92 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 2.37 2.31 0.00 5 Q 8.05 4.08 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 6 C 7.53 4.63 0.00 2.85 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 7 C 8.45 4.25 0.00 2.93 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 8 T 7.18 4.28 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 1.30 0.00 0.00 9 S 7.18 4.61 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.53 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 1.29 0.21 0.91 0.00 0.00 11 C 8.33 4.82 0.00 2.98 3.06 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 0.00 0.00 0.00 0.00 12 S 8.30 4.49 0.00 3.90 3.88 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 13 L 8.45 3.84 0.00 1.55 1.07 0.83 0.60 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 14 Y 7.40 4.32 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 4.17 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 16 L 7.93 4.28 0.00 1.85 1.79 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.14 3.97 0.00 2.24 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 0.00 2.48 2.57 0.00 18 N 7.66 4.39 0.00 2.02 2.43 0.00 0.00 6.81 7.29 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 19 Y 7.52 4.66 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.61 4.39 0.00 2.99 2.95 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 21 N 8.53 4.59 0.00 2.70 2.63 0.00 0.00 6.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00