NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3833 8.1727 120.1488 55.9162 33.1310 176.0875 2 W 4.0668 8.7803 134.4121 58.9310 30.6641 176.0378 3 K 4.2248 9.0135 119.1945 59.6947 31.9432 178.7954 4 V 3.6610 7.8834 113.1044 64.2614 31.3198 178.3564 5 F 3.5152 7.9667 117.1548 60.0370 38.4694 177.3609 6 K 3.8943 7.9155 119.4799 59.6193 32.0116 178.9557 7 K 3.9946 8.0280 118.6288 59.3058 31.7698 179.4398 8 I 3.6395 7.3268 119.8428 63.7974 37.1009 177.8975 9 E 4.0113 8.6969 120.7840 59.3666 29.7269 178.9807 10 K 4.1863 8.2750 117.8339 58.5248 32.2065 179.1520 11 K 4.0483 7.8983 120.2488 58.4674 32.0238 178.5282 12 W 4.3616 7.9328 128.9757 60.1989 30.7000 178.1584 13 K 3.6799 7.8854 117.8620 59.0055 31.9051 178.4715 14 V 3.8923 7.7213 118.8971 64.2337 31.8406 178.4214 15 F 3.8596 8.1174 118.0243 60.1814 38.5066 177.7485 16 K 3.9757 7.9113 117.2002 58.8541 31.6450 178.9770 17 K 4.0006 7.6653 120.0506 59.3496 32.0683 178.6483 18 I 3.4419 7.4571 118.3732 63.3528 36.5087 176.9579 19 E 3.8451 7.7067 120.1599 59.5439 29.1582 179.1031 20 K 4.1462 7.5001 115.8627 58.2913 32.2316 178.1876 21 A 4.7468 7.9001 116.9408 50.5966 20.1413 176.6366 22 G 4.4292 7.4088 118.8066 45.0597 0.0000 171.2714 23 P 4.6365 0.0000 0.0000 62.6083 31.5323 178.6313 24 K 4.1419 8.0942 119.3487 59.2025 32.5590 176.7527 25 W 4.5138 8.3629 116.5013 57.8414 29.5600 176.5242 26 K 4.7425 8.1675 116.7999 55.9209 33.7912 178.6761 27 V 3.6919 7.8372 112.6242 64.2875 31.5222 178.1624 28 F 4.3649 8.1013 117.1228 60.1190 38.8127 177.2059 29 K 4.1965 8.0445 119.0575 58.6846 31.8619 178.6011 30 K 3.9949 7.8736 120.3101 59.3991 31.7426 178.6610 31 I 3.7665 7.2755 112.0735 63.9191 37.5898 177.6443 32 E 4.0655 8.0084 120.1785 58.3879 29.5030 176.6197 33 K 4.1894 7.5723 122.4770 56.4768 32.2718 176.3233 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 K 8.17 4.38 0.00 1.93 1.90 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.56 7.81 2 W 8.78 4.07 0.00 3.54 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 3 K 9.01 4.22 0.00 1.90 1.92 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.61 7.81 4 V 7.88 3.66 2.02 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 1.04 0.00 0.00 0.97 0.00 0.00 5 F 7.97 3.52 0.00 2.29 2.64 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 6 K 7.92 3.89 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.56 7.81 7 K 8.03 3.99 0.00 1.95 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 8 I 7.33 3.64 1.56 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.57 0.00 0.00 9 E 8.70 4.01 0.00 2.20 2.04 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 2.42 2.49 0.00 10 K 8.28 4.19 0.00 1.82 1.85 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.66 7.81 11 K 7.90 4.05 0.00 1.95 1.80 0.00 1.48 0.00 0.00 1.35 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.96 1.17 7.81 12 W 7.93 4.36 0.00 3.27 3.24 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 13 K 7.89 3.68 0.00 1.77 1.84 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.43 7.81 14 V 7.72 3.89 2.24 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 0.91 0.00 0.00 0.93 0.00 0.00 15 F 8.12 3.86 0.00 3.38 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 16 K 7.91 3.98 0.00 1.51 1.66 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.11 7.81 17 K 7.67 4.00 0.00 1.78 1.88 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.37 7.81 18 I 7.46 3.44 1.57 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.37 0.00 0.00 19 E 7.71 3.85 0.00 2.06 2.04 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 2.31 2.40 0.00 20 K 7.50 4.15 0.00 1.88 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 21 A 7.90 4.75 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 22 G 7.41 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.64 0.00 2.28 2.29 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 24 K 8.09 4.14 0.00 1.78 2.03 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.35 7.81 25 W 8.36 4.51 0.00 3.34 3.54 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 0.00 0.00 0.00 0.00 26 K 8.17 4.74 0.00 1.86 1.88 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.56 1.65 7.81 27 V 7.84 3.69 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.70 0.00 0.00 28 F 8.10 4.36 0.00 3.11 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 29 K 8.04 4.20 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.50 7.81 30 K 7.87 3.99 0.00 1.95 1.81 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.61 7.81 31 I 7.28 3.77 1.93 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 1.56 0.82 1.00 0.00 0.00 32 E 8.01 4.07 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 33 K 7.57 4.19 0.00 1.88 1.72 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.40 7.81