NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1156 8.0093 120.7867 61.0646 39.1570 174.4751 2 T 4.4696 8.1961 115.3629 59.4797 71.2272 171.3847 3 A 4.6961 8.7364 125.4002 50.4846 23.4001 177.3083 4 K 4.2723 8.2922 118.6081 55.1780 32.8889 175.8517 5 P 4.2513 0.0000 0.0000 62.4835 31.8433 176.2144 6 A 4.0158 8.5470 123.0782 53.0172 18.5858 178.3545 7 K 4.2213 8.6321 121.2552 58.8047 32.8349 177.8240 8 T 4.6214 7.3746 107.3302 58.3503 68.3410 171.3866 9 P 4.2134 0.0000 0.0000 64.0606 32.3138 176.6904 10 T 5.2727 8.3413 117.6381 60.8078 69.2176 175.0047 11 S 4.3561 8.3723 121.9506 57.2869 65.1392 172.9120 12 P 4.2064 0.0000 0.0000 65.7801 31.0268 178.6902 13 K 3.8567 7.9849 117.5194 59.7705 32.2319 178.4761 14 E 3.9967 8.1514 118.7061 59.5155 29.2993 179.4986 15 Q 3.9728 8.5886 118.3508 58.8935 28.8007 178.5773 16 A 4.0254 8.4204 122.2161 55.0704 18.2423 179.8819 17 I 3.7713 7.8385 118.5815 64.4989 37.1887 178.9221 18 G 3.5724 8.1727 106.6519 47.4854 0.0000 175.5503 19 L 3.8844 8.2865 123.1440 58.0698 42.1411 179.3270 20 S 4.0172 7.9483 115.0302 61.6016 62.5455 176.9456 21 V 3.6756 7.9306 120.1423 66.1533 31.5851 177.7191 22 T 4.1779 8.2109 115.6446 66.9535 68.3659 176.0496 23 F 4.0839 8.7830 119.2657 61.0908 39.0774 178.0782 24 L 4.1608 8.3226 118.2295 57.6088 41.1177 179.6557 25 S 4.2217 8.0140 113.5922 60.9206 63.1023 175.9969 26 F 4.3241 8.3650 120.2194 59.8124 39.3940 177.5292 27 L 4.2632 8.3177 118.7706 57.6784 41.5064 179.5035 28 L 4.0799 8.1870 118.9936 57.4342 41.6160 177.8759 29 P 4.3169 0.0000 0.0000 65.3577 31.2735 178.5992 30 A 4.1785 8.1461 119.3824 55.1143 18.4213 179.3706 31 G 3.8964 8.6403 104.8336 48.0949 0.0000 175.5726 32 W 4.2026 8.2481 129.5539 60.0742 31.0374 177.9759 33 V 3.9858 8.2592 118.2572 66.1980 31.0332 178.0649 34 L 4.0465 8.3342 118.9800 57.9814 41.2476 178.8524 35 Y 3.9154 8.3506 118.9439 60.2641 39.0467 176.8577 36 H 4.4099 7.3618 114.7456 55.4094 28.8704 176.6732 37 L 3.8448 7.2321 123.8843 57.8999 41.3714 179.0883 38 D 4.1382 7.6622 117.2705 57.4154 41.0912 177.5516 39 N 4.1616 7.8484 115.1638 56.8625 38.7020 176.4672 40 Y 4.4776 7.2032 117.3566 61.1008 37.9414 177.6918 41 K 3.8340 8.4114 118.3759 59.4535 33.2217 179.1984 42 K 4.4095 8.4051 118.3241 56.4554 30.7525 177.3209 43 S 4.4007 7.9912 119.7146 58.7277 63.1429 174.8203 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 I 8.01 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.20 4.47 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 1.21 0.00 0.00 3 A 8.74 4.70 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.29 4.27 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.25 0.00 2.03 2.01 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 6 A 8.55 4.02 1.27 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 0.00 0.00 0.00 7 K 8.63 4.22 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.37 4.62 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 1.21 0.00 0.00 9 P 0.00 4.21 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 10 T 8.34 5.27 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 1.24 0.00 0.00 11 S 8.37 4.36 0.00 4.04 3.99 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 12 P 0.00 4.21 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 13 K 7.98 3.86 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 8.15 4.00 0.00 2.25 1.98 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 2.33 2.35 0.00 15 Q 8.59 3.97 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 16 A 8.42 4.03 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 17 I 7.84 3.77 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.90 0.91 0.00 0.00 18 G 8.17 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 3.88 0.00 1.69 1.67 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.95 4.02 0.00 3.93 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 21 V 7.93 3.68 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 22 T 8.21 4.18 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 23 F 8.78 4.08 0.00 3.16 3.17 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 24 L 8.32 4.16 0.00 1.79 1.79 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.01 4.22 0.00 4.02 4.04 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 26 F 8.37 4.32 0.00 3.03 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.26 0.00 1.79 1.78 1.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.19 4.08 0.00 1.79 1.76 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.32 0.00 2.18 2.08 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 30 A 8.15 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.64 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.25 4.20 0.00 3.46 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.26 3.99 2.41 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 1.19 0.00 0.00 1.33 0.00 0.00 34 L 8.33 4.05 0.00 2.02 1.74 0.98 1.02 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 35 Y 8.35 3.92 0.00 2.93 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 36 H 7.36 4.41 0.00 2.39 2.24 0.00 5.88 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.23 3.84 0.00 1.54 1.66 0.92 1.48 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 38 D 7.66 4.14 0.00 2.59 2.49 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 0.00 39 N 7.85 4.16 0.00 2.38 2.79 0.00 0.00 6.93 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.20 4.48 0.00 3.17 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.41 3.83 0.00 1.65 1.89 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.68 7.81 42 K 8.41 4.41 0.00 1.65 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.60 7.81 43 S 7.99 4.40 0.00 4.01 3.77 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