NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.5326 8.1600 109.1397 45.2314 0.0000 174.6360 2 I 3.3720 8.1631 119.3533 63.5803 37.7846 173.1644 3 V 3.4878 8.4255 114.1247 64.4150 31.8821 177.8314 4 E 3.9587 8.0870 117.8805 59.3774 29.6162 179.2011 5 Q 4.0158 8.5188 118.3755 58.8260 28.7365 177.3760 6 C 5.1410 8.5177 115.7563 56.2779 40.9492 174.0889 7 C 4.3352 8.5270 118.0687 60.1849 29.0800 175.0267 8 T 4.1936 7.8397 115.7811 65.3302 68.7581 174.5738 9 S 4.6276 7.3964 111.7554 56.2632 65.8034 172.6182 10 I 4.1804 8.1596 124.9934 60.6854 37.1448 177.0397 11 C 4.7195 8.6047 123.6676 56.6951 36.6539 174.3676 12 S 4.5904 8.8672 118.7831 57.4188 65.4363 175.4079 13 L 4.0655 8.3736 120.8140 57.9237 40.9732 179.1393 14 Y 4.1156 7.9844 118.4896 60.9175 38.7571 177.6536 15 Q 4.0117 8.0480 118.9557 58.8238 28.7659 178.7585 16 L 4.2143 8.0105 120.1691 57.7228 41.7151 179.1390 17 E 4.0773 8.3852 118.3876 58.7974 29.0602 178.6341 18 N 4.0550 7.4422 116.2711 56.1777 38.9101 175.2746 19 Y 4.3440 7.5790 115.2873 57.2328 38.6944 175.5408 20 C 4.4585 7.2415 118.3600 58.9711 29.1804 173.5015 21 N 4.5095 8.6296 118.4755 53.8088 38.0767 175.1590 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 8.16 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.16 3.37 1.26 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.07 0.71 0.00 0.00 3 V 8.43 3.49 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 0.78 0.00 0.00 0.91 0.00 0.00 4 E 8.09 3.96 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 5 Q 8.52 4.02 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 6 C 8.52 5.14 0.00 2.91 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 C 8.53 4.34 0.00 3.06 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 8 T 7.84 4.19 4.25 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 1.22 0.00 0.00 9 S 7.40 4.63 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.18 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.92 0.00 0.00 11 C 8.60 4.72 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 8.87 4.59 0.00 4.12 4.07 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 13 L 8.37 4.07 0.00 1.77 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.12 0.00 2.90 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.01 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 16 L 8.01 4.21 0.00 1.92 1.76 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.39 4.08 0.00 1.99 1.97 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 2.35 2.48 0.00 18 N 7.44 4.06 0.00 2.35 2.51 0.00 0.00 7.14 7.21 0.00 0.00 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 7.58 4.34 0.00 3.14 3.01 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 20 C 7.24 4.46 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.63 4.51 0.00 2.71 2.74 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00