NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5210 8.1676 119.4728 57.0778 40.4524 175.6682 2 V 3.0609 8.3046 125.7471 64.1663 31.4279 177.0379 3 S 4.2046 8.1232 116.1826 60.7910 63.7383 175.9698 4 T 4.5661 7.5403 109.3446 61.1828 68.8310 174.2611 5 C 4.3283 7.4533 121.5401 60.4804 32.2445 172.8776 6 Y 4.4422 8.2781 122.2050 58.6940 38.5751 176.0213 7 L 4.3730 5.9387 119.5321 53.1057 41.8990 174.5889 8 P 4.4545 0.0000 0.0000 62.6814 32.6328 175.2782 9 K 3.8494 8.4504 114.2380 58.2233 29.3135 176.2642 10 C 4.4168 8.2590 118.0410 60.3505 33.5533 173.2782 11 A 4.2920 7.8606 123.0759 51.1800 17.4601 175.7349 12 A 4.5810 8.4283 124.2359 53.9293 19.6527 177.4998 13 A 4.5113 7.5106 117.7364 51.7746 19.5396 175.9037 14 A 3.8620 8.1977 118.8810 54.7330 15.9110 178.0075 15 N 4.6787 7.4441 117.2716 53.7793 39.3190 177.0359 16 V 3.3600 8.3943 124.3144 64.6076 31.5819 178.1019 17 A 3.8505 7.8867 120.8919 54.8697 18.1153 179.2963 18 A 3.9096 7.9407 116.9001 55.2426 18.5362 178.3675 19 H 4.2833 7.4985 117.0161 58.7107 29.9437 177.0323 20 I 3.5049 7.6672 122.5196 62.8711 37.8738 176.9061 21 T 3.8828 7.5508 114.7783 64.8935 67.1321 173.9678 22 H 4.6603 7.4875 113.3629 56.1783 30.4490 174.3757 23 C 4.3522 7.4614 119.3238 59.3667 28.2813 172.4075 24 Y 5.1833 8.1772 121.3804 55.9359 41.8742 175.3475 25 K 4.2080 8.8113 118.7134 57.5973 32.7898 176.8038 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 F 8.17 4.52 0.00 3.14 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 2 V 8.30 3.06 2.15 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 0.77 0.00 0.00 0.91 0.00 0.00 3 S 8.12 4.20 0.00 4.00 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 4 T 7.54 4.57 4.27 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 1.18 0.00 0.00 5 C 7.45 4.33 0.00 2.72 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 6 Y 8.28 4.44 0.00 3.15 3.08 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 7 L 5.94 4.37 0.00 1.64 1.55 0.79 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.45 0.00 2.18 2.11 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 9 K 8.45 3.85 0.00 1.88 1.90 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 C 8.26 4.42 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.29 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 12 A 8.43 4.58 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 4.51 1.30 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 0.00 0.00 14 A 8.20 3.86 1.35 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 0.00 0.00 15 N 7.44 4.68 0.00 2.86 2.73 0.00 0.00 6.79 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 16 V 8.39 3.36 1.78 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 0.60 0.00 0.00 0.53 0.00 0.00 17 A 7.89 3.85 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.94 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.50 4.28 0.00 3.00 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.67 3.50 1.70 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 1.28 1.82 0.89 0.00 0.00 21 T 7.55 3.88 4.32 0.00 0.00 0.00 0.00 0.00 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 22 H 7.49 4.66 0.00 3.24 3.34 0.00 5.58 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.46 4.35 0.00 2.61 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.18 5.18 0.00 2.96 2.77 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 25 K 8.81 4.21 0.00 1.89 1.86 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81