NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4299 8.3301 116.7949 59.2786 63.5498 173.3074 2 A 4.1841 8.7383 127.2303 51.1930 20.3072 172.5947 3 V 3.2936 8.3092 113.9269 63.0109 31.2101 169.7912 4 L 4.5609 8.1392 121.3288 54.3687 44.9892 176.2757 5 Q 4.2810 8.5615 126.8871 54.6029 29.0286 175.4762 6 K 4.4045 8.3773 125.5336 55.7458 33.5612 176.0122 7 K 4.6906 8.4727 119.4335 54.6459 35.3530 176.8215 8 I 3.6742 8.7145 126.2936 64.8538 37.1386 178.3271 9 T 4.1716 7.8361 107.7058 63.5432 68.5116 174.8376 10 D 4.3053 8.0489 121.8160 56.2575 40.9694 176.5874 11 Y 4.4744 7.6463 114.4447 57.5130 39.7495 175.6519 12 F 5.2911 8.3256 119.0972 55.8653 41.5352 174.0613 13 H 4.9527 8.6853 121.3080 52.8079 31.9147 171.7864 14 P 4.3556 0.0000 0.0000 63.2782 31.6307 176.8087 15 K 4.3462 8.4683 118.3049 57.2643 32.7107 177.3964 16 K 4.1671 7.6447 123.3862 56.7072 33.1028 175.7738 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 S 8.33 4.43 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 4.18 1.24 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 0.00 0.00 0.00 3 V 8.31 3.29 2.08 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 0.67 0.00 0.00 0.93 0.00 0.00 4 L 8.14 4.56 0.00 1.54 1.47 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.56 4.28 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 6 K 8.38 4.40 0.00 1.94 1.98 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.49 7.81 7 K 8.47 4.69 0.00 1.83 1.57 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.44 7.81 8 I 8.71 3.67 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 1.15 0.00 0.00 9 T 7.84 4.17 4.23 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 1.23 0.00 0.00 10 D 8.05 4.31 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 4.47 0.00 2.09 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 5.29 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.69 4.95 0.00 3.16 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.36 0.00 2.06 2.04 0.00 3.75 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 2.07 2.18 0.00 15 K 8.47 4.35 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 16 K 7.64 4.17 0.00 1.67 1.63 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.49 7.81