NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9061 7.8774 117.5596 56.3410 42.2340 174.5754 2 G 3.5303 8.4118 106.3575 44.6914 0.0000 170.0669 3 E 4.4246 7.6220 119.9328 55.4889 31.8509 173.4389 4 T 4.7774 8.0599 109.8023 60.2020 72.1533 173.0195 5 C 5.2671 8.3724 115.8059 53.8244 41.3358 174.9540 6 F 3.6002 8.5361 120.5054 61.0808 39.1841 176.8328 7 T 4.4876 8.3467 108.2694 61.1908 68.9274 174.6699 8 G 4.1763 9.4574 110.3966 46.5790 0.0000 173.9527 9 T 4.6501 7.8735 108.1150 59.9968 71.6029 173.5960 10 C 4.8062 8.7157 125.3609 56.1664 44.7142 172.8078 11 Y 4.0066 8.8462 122.6691 59.4890 38.2641 175.8902 12 T 4.5957 7.6535 115.3674 61.3918 69.1912 173.8554 13 N 4.4845 8.4843 123.4607 54.3315 40.0063 175.1164 14 G 3.9786 9.0206 106.5930 46.1755 0.0000 173.7781 15 C 5.9631 7.5415 112.7126 54.5689 40.7953 173.4491 16 T 4.7557 8.0315 114.8739 60.5464 70.6736 174.3919 17 C 4.8505 8.5593 127.4622 56.0576 42.1511 172.8550 18 D 4.4795 7.8237 124.5762 56.4007 42.0130 176.7263 19 P 4.6353 0.0000 0.0000 60.1808 30.2872 174.9703 20 W 4.3558 7.9637 129.5757 58.5046 31.9425 173.8980 21 P 3.4891 0.0000 0.0000 62.2862 29.6414 174.9343 22 V 4.5840 7.7695 118.2943 62.1199 34.9948 174.7428 23 C 5.1112 8.5177 123.5392 56.2934 41.6100 172.5998 24 T 4.7724 8.9295 112.6643 60.0033 71.0282 172.9939 25 R 5.0804 9.4565 128.6393 54.0773 31.2147 175.5326 26 N 3.9140 9.6671 126.3942 54.8098 37.2651 174.8013 27 G 3.9747 8.6749 101.9016 45.0407 0.0000 173.7160 28 L 4.8057 7.6217 119.4251 52.0820 44.7280 176.5548 29 P 5.0738 0.0000 0.0000 62.1094 30.7695 176.8842 30 V 3.9278 7.6636 116.7675 61.5263 31.8029 176.3959 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 C 7.88 4.91 0.00 2.98 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 3.53 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 3 E 7.62 4.42 0.00 2.10 1.87 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 2.38 2.34 0.00 4 T 8.06 4.78 4.49 0.00 0.00 0.00 0.00 0.00 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 5 C 8.37 5.27 0.00 3.31 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 3.60 0.00 2.96 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.49 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 8 G 9.46 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.87 4.65 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 1.24 0.00 0.00 10 C 8.72 4.81 0.00 3.02 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.01 0.00 2.91 3.04 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 0.00 0.00 0.00 12 T 7.65 4.60 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 13 N 8.48 4.48 0.00 2.77 2.70 0.00 0.00 7.10 8.97 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 14 G 9.02 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 15 C 7.54 5.96 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 4.76 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 17 C 8.56 4.85 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.48 0.00 2.58 2.71 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 0.00 0.00 0.00 19 P 0.00 4.64 0.00 2.21 2.22 0.00 4.02 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 20 W 7.96 4.36 0.00 3.20 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 21 P 0.00 3.49 0.00 0.49 0.49 0.00 3.25 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.44 0.00 22 V 7.77 4.58 2.14 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 0.71 0.00 0.00 0.78 0.00 0.00 23 C 8.52 5.11 0.00 2.88 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.93 4.77 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 1.21 0.00 0.00 25 R 9.46 5.08 0.00 1.87 1.87 0.00 3.29 0.00 0.00 3.20 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 26 N 9.67 3.91 0.00 2.87 2.85 0.00 0.00 7.32 7.98 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 27 G 8.67 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.62 4.81 0.00 1.91 1.53 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 5.07 0.00 2.03 2.05 0.00 3.70 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 30 V 7.66 3.93 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 1.05 0.00 0.00 0.99 0.00 0.00