NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2986 8.1133 119.7060 56.7635 31.8242 177.0662 2 M 3.6640 7.9322 116.8593 57.9657 31.5899 177.1057 3 K 3.9309 8.6721 119.9120 59.8138 32.8058 178.0497 4 Q 4.1340 8.1391 117.7388 59.1466 28.5602 179.1554 5 I 3.6459 8.1835 121.0269 64.0326 37.0770 177.5249 6 E 4.6742 7.6222 116.7704 57.2829 30.7373 177.4067 7 D 4.8192 8.1065 118.4227 54.0977 43.5241 176.0415 8 K 4.2642 7.3462 118.1251 58.1054 32.8175 178.5239 9 L 3.8850 7.8579 119.2060 58.0334 41.9774 178.8062 10 E 4.1202 8.1340 116.2906 57.2531 29.8180 177.3381 11 E 4.3316 8.1968 117.8287 58.7540 30.0344 178.1202 12 I 3.8149 7.4199 119.5458 64.0622 37.3574 177.5025 13 L 3.6573 8.2129 120.4745 57.3117 41.4852 179.3870 14 S 3.7255 7.3578 113.5112 61.8150 63.0187 177.2974 15 K 3.9656 7.6361 121.7146 59.4160 31.8971 178.8574 16 L 4.0392 7.9941 119.6375 57.7906 41.3715 178.6322 17 Y 4.4834 7.6742 116.8156 61.8543 37.9175 178.3750 18 H 4.1941 8.3981 118.3037 59.4029 29.8656 177.5417 19 I 4.1444 7.8769 123.1165 63.7883 36.6559 178.2690 20 E 3.9926 8.1695 118.8076 59.1940 29.5835 178.5340 21 N 4.4190 8.3971 117.3885 56.9365 38.6546 176.7124 22 E 3.9540 8.5360 120.1184 59.3045 29.3386 179.1469 23 L 4.1625 7.6869 118.2780 56.5082 41.8599 178.7354 24 A 4.0077 7.8147 121.3276 55.2436 18.2694 179.3986 25 R 3.7770 7.9566 116.3083 59.9396 30.0650 178.5486 26 I 3.9518 7.4413 118.5419 64.8710 36.9926 177.4218 27 K 4.2288 7.9582 120.6244 57.5310 31.5482 178.9576 28 K 3.8796 8.1697 121.5470 60.3568 32.5037 178.6318 29 L 4.0289 8.1898 117.9300 57.9968 41.6679 179.3027 30 L 4.0926 7.6645 119.7475 56.0755 41.7680 177.8295 31 G 3.9595 7.7270 112.1073 45.6951 0.0000 173.6776 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 R 8.11 4.30 0.00 1.89 2.04 0.00 3.13 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 2 M 7.93 3.66 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 3 K 8.67 3.93 0.00 1.74 1.83 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.53 7.81 4 Q 8.14 4.13 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 5 I 8.18 3.65 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 1.51 0.64 0.91 0.00 0.00 6 E 7.62 4.67 0.00 1.95 1.96 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 2.31 2.36 0.00 7 D 8.11 4.82 0.00 2.84 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 8 K 7.35 4.26 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.59 7.81 9 L 7.86 3.88 0.00 1.69 1.71 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.13 4.12 0.00 1.98 1.91 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 2.36 2.32 0.00 11 E 8.20 4.33 0.00 2.12 1.93 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 2.53 2.45 0.00 12 I 7.42 3.81 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.86 0.00 0.00 13 L 8.21 3.66 0.00 1.42 1.28 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.36 3.73 0.00 4.00 3.87 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 0.00 0.00 0.00 15 K 7.64 3.97 0.00 1.96 1.74 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 16 L 7.99 4.04 0.00 1.75 1.72 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.67 4.48 0.00 3.24 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 18 H 8.40 4.19 0.00 3.24 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.88 4.14 1.97 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 1.55 1.86 0.92 0.00 0.00 20 E 8.17 3.99 0.00 2.48 2.05 0.00 0.00 0.00 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 2.36 0.00 21 N 8.40 4.42 0.00 2.86 2.88 0.00 0.00 7.22 8.15 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 22 E 8.54 3.95 0.00 2.24 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 2.28 2.32 0.00 23 L 7.69 4.16 0.00 1.63 1.70 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.81 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.96 3.78 0.00 1.88 1.93 0.00 3.20 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 26 I 7.44 3.95 2.02 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 1.52 0.68 0.91 0.00 0.00 27 K 7.96 4.23 0.00 2.03 1.73 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 28 K 8.17 3.88 0.00 1.73 1.92 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.72 7.81 29 L 8.19 4.03 0.00 1.56 1.69 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.66 4.09 0.00 1.93 1.75 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.73 3.96 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 0.00 0.00 0.00