NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2779 8.2649 123.5809 52.3162 19.3824 176.7633 2 M 4.4193 8.3485 122.6749 53.5342 33.5105 172.7965 3 D 4.8918 9.1740 126.7339 54.2446 42.8825 177.8636 4 C 4.3699 8.2514 116.7790 56.8799 41.4103 173.5922 5 T 3.2028 7.8838 115.1463 63.9277 64.5078 171.7233 6 T 3.8653 7.7533 111.5886 60.8710 69.8031 174.9477 7 G 4.0335 8.1745 111.5928 44.2650 0.0000 171.3304 8 P 4.0946 0.0000 0.0000 65.4593 31.5972 178.4434 9 C 4.2433 7.8821 115.4309 58.2307 39.0417 173.1691 10 C 4.8550 7.5479 121.3015 54.5623 43.4511 174.0418 11 R 3.7915 7.9739 128.4816 57.9744 29.8384 177.4881 12 Q 5.5316 6.8800 125.8260 57.4684 30.7926 172.6811 13 C 5.2854 7.6803 115.0905 55.3082 43.7365 173.4216 14 K 4.2329 7.6348 119.4913 54.4743 34.0410 173.0453 15 L 4.0721 8.7187 129.3390 55.3127 42.4676 176.7982 16 K 4.1417 8.5605 126.0695 56.0437 33.5040 174.8483 17 P 4.6464 0.0000 0.0000 62.5290 32.2057 175.9202 18 A 4.2889 8.8358 126.6841 53.6987 18.7651 176.8390 19 G 4.0233 9.3882 107.1712 46.6581 0.0000 173.7476 20 T 4.7002 7.5635 115.7773 61.1399 71.0443 173.4806 21 T 2.9833 8.3116 123.2362 63.9784 68.4805 172.3523 22 C 4.4442 8.5007 121.3430 56.5102 40.9933 174.3972 23 W 4.5046 7.5318 129.9305 56.1157 30.9953 176.5145 24 K 3.9613 8.1221 117.7226 57.2150 30.6015 175.7157 25 T 3.7811 6.8188 113.9750 62.8261 68.7267 175.5602 26 S 4.0481 8.7029 120.8511 61.2235 62.8633 175.9500 27 V 3.7755 7.3969 118.3843 63.0292 31.8946 176.3093 28 S 4.1933 7.5544 114.8202 57.8102 66.7250 174.2159 29 S 4.8011 8.3779 120.8565 56.9160 64.6443 173.1819 30 H 5.4498 8.6208 120.3189 55.0113 32.2737 171.7202 31 Y 4.6265 8.2059 115.2481 57.4519 41.9412 174.9577 32 C 4.6951 8.9635 122.4546 56.0968 44.3428 174.0305 33 T 4.6188 8.4909 114.5045 60.8135 68.6562 174.6896 34 G 4.3226 8.1223 107.4022 47.2636 0.0000 174.7261 35 R 4.4544 7.5893 117.6764 56.2882 32.2450 175.6640 36 S 4.5844 7.6344 109.5388 57.5792 65.3302 173.5184 37 C 4.6765 8.6119 116.2139 56.3882 40.0165 173.3550 38 E 4.3537 7.4179 119.0730 54.1879 30.6421 175.2000 39 C 4.0682 8.4342 121.4851 56.3752 40.7124 172.5421 40 P 4.4798 0.0000 0.0000 62.8223 31.6670 175.7224 41 S 5.0293 8.4976 110.3734 58.0514 63.3005 173.3430 42 Y 4.9698 7.3442 117.1197 55.1127 40.7482 172.7072 43 P 4.9262 0.0000 0.0000 62.5286 32.3079 177.4657 44 G 4.1439 8.5563 112.1832 44.3318 0.0000 172.8556 45 N 5.0216 8.0073 119.6112 53.0215 40.7533 175.1180 46 G 3.7178 8.0978 112.7065 45.8975 0.0000 173.2149 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 A 8.26 4.28 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 2 M 8.35 4.42 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 3 D 9.17 4.89 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.25 4.37 0.00 2.98 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.88 3.20 4.21 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 1.18 0.00 0.00 6 T 7.75 3.87 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 7 G 8.17 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 8 P 0.00 4.09 0.00 1.61 1.55 0.00 3.48 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 0.00 9 C 7.88 4.24 0.00 2.97 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 10 C 7.55 4.86 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.79 0.00 1.81 1.95 0.00 3.43 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 12 Q 6.88 5.53 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.34 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 13 C 7.68 5.29 0.00 2.85 2.97 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 14 K 7.63 4.23 0.00 1.73 1.59 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.36 7.81 15 L 8.72 4.07 0.00 1.68 1.63 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.56 4.14 0.00 1.84 1.72 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.52 7.81 17 P 0.00 4.65 0.00 2.14 2.20 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 18 A 8.84 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.39 4.02 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 0.00 0.00 0.00 20 T 7.56 4.70 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 1.21 0.00 0.00 21 T 8.31 2.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 22 C 8.50 4.44 0.00 3.24 3.13 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 0.00 0.00 0.00 23 W 7.53 4.50 0.00 3.27 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 24 K 8.12 3.96 0.00 1.83 1.81 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.41 7.81 25 T 6.82 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 26 S 8.70 4.05 0.00 3.92 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 27 V 7.40 3.78 1.99 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 0.63 0.00 0.00 0.85 0.00 0.00 28 S 7.55 4.19 0.00 3.29 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.80 0.00 4.02 3.94 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 30 H 8.62 5.45 0.00 3.28 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.21 4.63 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.96 4.70 0.00 3.06 2.95 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 0.00 0.00 0.00 0.00 33 T 8.49 4.62 4.29 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 1.28 0.00 0.00 34 G 8.12 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.59 4.45 0.00 1.84 1.96 0.00 3.17 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 36 S 7.63 4.58 0.00 3.75 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.61 4.68 0.00 2.94 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 38 E 7.42 4.35 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 39 C 8.43 4.07 0.00 2.48 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 1.24 1.84 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 41 S 8.50 5.03 0.00 4.15 4.09 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 42 Y 7.34 4.97 0.00 3.04 2.98 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 43 P 0.00 4.93 0.00 2.24 2.15 0.00 3.52 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 44 G 8.56 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.01 5.02 0.00 2.67 2.75 0.00 0.00 6.96 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.10 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00