NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0835 8.3549 109.7587 45.6145 0.0000 173.0714 2 Y 4.5154 8.2905 117.3110 53.9951 41.4401 174.0686 3 I 4.2501 8.0182 117.3158 59.2638 40.2135 173.1917 4 P 4.7511 0.0000 0.0000 61.3896 32.5938 175.5811 5 E 4.0288 8.7407 120.5230 56.5807 30.1367 176.2526 6 A 4.1200 7.5713 126.4752 49.8259 20.0289 175.5730 7 P 4.3116 0.0000 0.0000 63.3945 32.3993 177.2300 8 R 4.5853 8.2821 119.1417 55.1470 29.2751 175.8147 9 D 4.7453 8.0317 113.6702 52.7380 40.3270 178.1736 10 G 3.8814 8.2651 106.5187 46.0887 0.0000 173.5287 11 Q 4.4067 7.8168 117.1689 53.9237 30.8889 174.5686 12 A 4.4841 7.9461 122.0908 51.1464 20.5974 175.8856 13 Y 5.4110 8.4918 119.0792 56.2628 41.4812 175.3551 14 V 4.6896 10.0871 121.8698 60.1467 35.1290 174.6750 15 R 4.3581 8.5983 122.1634 54.6072 30.8560 175.2654 16 K 4.4082 8.3845 127.9073 55.7182 35.3710 175.7978 17 D 4.3253 9.6768 125.4269 54.6095 38.1058 173.9962 18 G 3.7846 8.1059 101.6097 47.1499 0.0000 172.8143 19 E 4.4797 7.8883 118.1784 53.8616 34.3982 174.6672 20 W 5.3396 8.3536 121.1801 55.8291 29.8021 176.0246 21 V 4.8117 9.1430 125.6750 60.6098 34.1588 174.7995 22 L 4.1173 8.9564 126.9633 55.2165 42.0420 177.9347 23 L 4.2748 9.5357 127.4730 58.2473 42.4285 179.2077 24 S 4.3754 8.0406 113.0957 61.2790 62.6019 176.2318 25 T 3.8994 8.3130 118.9872 65.4130 68.0804 175.4714 26 F 4.6771 8.1442 118.8114 56.8877 39.4708 175.7397 27 L 4.4082 7.9056 125.1493 55.0332 42.3887 176.3524 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 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.29 4.52 0.00 2.89 2.87 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 3 I 8.02 4.25 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.74 0.00 0.00 4 P 0.00 4.75 0.00 2.29 2.14 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 5 E 8.74 4.03 0.00 1.96 1.94 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 2.26 2.28 0.00 6 A 7.57 4.12 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.31 0.00 2.37 2.05 0.00 3.28 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 8 R 8.28 4.59 0.00 1.74 1.86 0.00 3.36 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 9 D 8.03 4.75 0.00 2.78 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 10 G 8.27 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 0.00 0.00 0.00 11 Q 7.82 4.41 0.00 2.28 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 12 A 7.95 4.48 1.17 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 13 Y 8.49 5.41 0.00 2.76 3.30 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 0.00 14 V 10.09 4.69 2.05 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 0.86 0.00 0.00 0.69 0.00 0.00 15 R 8.60 4.36 0.00 1.87 1.72 0.00 2.66 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 16 K 8.38 4.41 0.00 1.78 1.63 0.00 1.94 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.36 7.81 17 D 9.68 4.33 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.78 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 0.00 0.00 0.00 19 E 7.89 4.48 0.00 1.86 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 2.10 2.39 0.00 20 W 8.35 5.34 0.00 2.63 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 4.81 2.53 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 1.14 0.00 0.00 1.10 0.00 0.00 22 L 8.96 4.12 0.00 1.68 1.59 0.90 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.54 4.27 0.00 1.71 1.68 1.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.04 4.38 0.00 4.07 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 25 T 8.31 3.90 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 0.81 0.00 0.00 26 F 8.14 4.68 0.00 3.13 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 27 L 7.91 4.41 0.00 1.81 1.51 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00