NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2315 8.3044 120.3397 55.2245 33.0814 175.9690 2 K 3.6820 7.6270 120.3789 54.9758 32.4927 174.3821 3 T 3.8520 8.5418 115.0468 60.7501 71.0956 173.6657 4 E 4.2773 6.8482 119.4934 55.3377 32.7151 175.4992 5 W 3.7082 7.3967 117.4517 57.0832 27.0122 174.4813 6 P 4.3538 0.0000 0.0000 65.6600 31.4640 177.9035 7 E 4.1037 8.1081 117.7918 57.7536 29.9110 176.6524 8 L 4.2462 7.9332 119.7093 56.0696 42.5190 176.6118 9 V 3.8506 7.5264 117.8785 65.0240 31.7818 175.5084 10 G 4.0286 8.6497 111.6539 46.1843 0.0000 174.3097 11 K 4.5119 7.7484 124.4096 56.0087 31.8553 176.0258 12 S 4.6873 8.1965 111.4970 56.4378 67.2415 174.6488 13 V 3.4658 8.5548 121.9600 66.1998 30.8084 177.0895 14 E 3.7199 7.6892 116.4299 60.5679 30.1003 178.5505 15 E 3.8242 8.1619 119.3303 59.2015 30.0074 178.3808 16 A 3.9415 7.4240 122.2578 53.3803 19.0801 179.0550 17 K 3.6081 8.1352 113.9437 58.6893 32.4843 178.8213 18 K 3.7477 7.2670 115.3305 60.4001 32.6411 178.4087 19 V 3.7571 8.0873 119.0474 66.4958 32.3918 178.6155 20 I 4.1755 7.5393 118.8136 63.6377 36.9663 177.1239 21 L 3.9084 7.7555 121.7488 57.6401 41.7899 177.0218 22 Q 4.5234 7.9647 115.4215 52.3595 32.9927 180.8171 23 D 4.1038 8.8328 115.5791 54.6632 41.9724 177.5080 24 K 3.9584 5.6600 122.5639 55.1967 33.2204 174.5300 25 P 4.4744 0.0000 0.0000 63.3851 29.7493 175.3595 26 E 3.8293 8.4557 129.6068 56.9297 26.9261 175.8230 27 A 4.3866 7.9185 120.7136 51.2650 19.3649 177.6170 28 Q 4.3945 8.2920 125.6755 55.8127 31.4370 174.2458 29 I 4.4101 7.6600 115.1681 59.7230 40.8919 174.8858 30 I 4.0138 8.1710 127.9158 60.1256 37.2632 176.0274 31 V 4.0340 8.2185 126.7314 60.2358 31.4133 175.3506 32 L 4.7876 7.9612 124.1938 53.1521 43.8933 174.7677 33 P 4.4834 0.0000 0.0000 63.0399 31.3016 177.5815 34 V 2.9588 8.4509 116.3673 61.8770 32.2144 175.4799 35 G 3.7510 8.7085 107.9107 46.3009 0.0000 172.0628 36 T 4.2499 8.0250 113.6287 63.2707 70.4944 174.5334 37 I 4.2972 7.9265 118.8449 61.2403 36.4868 176.0535 38 V 3.0565 7.6036 120.4905 64.5665 29.4016 171.9279 39 T 3.8289 8.1170 116.7005 61.9645 68.1879 171.7195 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 M 8.30 4.23 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 2 K 7.63 3.68 0.00 1.75 1.67 0.00 1.46 0.00 0.00 1.47 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 0.44 7.81 3 T 8.54 3.85 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 1.09 0.00 0.00 4 E 6.85 4.28 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 5 W 7.40 3.71 0.00 3.69 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.23 2.31 0.00 3.69 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 7 E 8.11 4.10 0.00 1.98 2.07 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 2.32 2.32 0.00 8 L 7.93 4.25 0.00 1.93 1.98 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.53 3.85 2.11 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 0.90 0.00 0.00 1.02 0.00 0.00 10 G 8.65 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.51 0.00 1.80 1.58 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 12 S 8.20 4.69 0.00 3.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 3.47 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 1.10 0.00 0.00 0.89 0.00 0.00 14 E 7.69 3.72 0.00 2.01 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 2.39 2.27 0.00 15 E 8.16 3.82 0.00 1.99 1.94 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 2.39 2.32 0.00 16 A 7.42 3.94 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.14 3.61 0.00 1.87 1.84 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.53 7.81 18 K 7.27 3.75 0.00 1.90 1.70 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 19 V 8.09 3.76 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 20 I 7.54 4.18 1.48 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.02 0.00 0.00 21 L 7.76 3.91 0.00 1.89 1.86 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.96 4.52 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 5.50 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 23 D 8.83 4.10 0.00 3.29 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 K 5.66 3.96 0.00 1.79 1.88 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.37 7.81 25 P 0.00 4.47 0.00 2.24 2.09 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 26 E 8.46 3.83 0.00 2.15 2.06 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 2.24 2.27 0.00 27 A 7.92 4.39 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 4.39 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 29 I 7.66 4.41 1.49 0.00 0.00 0.52 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 0.73 0.71 0.00 0.00 30 I 8.17 4.01 1.85 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 1.45 0.66 0.89 0.00 0.00 31 V 8.22 4.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 32 L 7.96 4.79 0.00 1.69 1.60 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.48 0.00 2.19 2.14 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 34 V 8.45 2.96 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 0.85 0.00 0.00 0.93 0.00 0.00 35 G 8.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 4.25 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 37 I 7.93 4.30 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 1.30 0.46 0.91 0.00 0.00 38 V 7.60 3.06 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 39 T 8.12 3.83 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