NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4577 8.3344 116.7940 58.6888 64.2200 171.8208 11 D 4.5566 8.5470 117.9503 55.1229 43.4120 177.2561 12 A 4.1741 8.8019 122.1312 55.2132 19.8979 178.6964 13 D 4.4335 8.0995 116.4286 57.0054 40.8602 179.2926 14 K 4.1049 7.9505 119.0636 59.4785 32.1618 179.3041 15 R 3.9452 8.0322 118.1222 59.1520 29.9780 178.7026 16 A 4.0059 8.1240 120.1283 55.5757 18.2575 179.0531 17 H 4.0716 7.9172 115.0681 59.7171 29.9577 176.6011 18 H 4.0929 8.0556 119.6174 59.8334 29.5643 176.7241 19 N 4.3100 8.4352 117.6583 56.1993 38.4316 177.3563 20 A 3.9969 8.0882 122.3024 55.1410 18.5544 179.7408 21 L 3.9513 8.3716 117.8900 57.6205 41.6221 179.2958 22 E 3.9534 7.8739 119.3746 58.9090 29.5309 178.5482 23 R 3.9185 7.9639 118.9732 59.3145 30.0723 178.3859 24 K 3.9162 7.9324 118.9186 59.3104 32.2403 178.7216 25 R 3.8898 7.8130 118.7625 59.7166 30.1105 178.7147 26 R 4.0015 8.4907 118.0923 59.4747 30.0197 178.8619 27 D 4.4389 8.3152 118.8447 57.2292 40.7036 178.2505 28 H 4.2188 8.4355 118.9458 59.5407 29.9605 177.4675 29 I 3.6627 7.7340 121.3861 64.0716 36.6240 178.4446 30 K 4.1271 8.0284 119.8908 59.6353 32.4090 178.4019 31 D 4.5632 8.2670 119.1309 57.6696 40.8125 178.9468 32 S 4.1932 8.5027 115.9047 61.6592 62.6351 176.8870 33 F 4.0991 8.3970 120.6696 60.4532 38.5920 177.0651 34 H 4.1193 8.4099 118.0713 59.5523 29.8142 177.3751 35 S 4.2018 8.1975 116.3370 61.6292 62.4721 176.4909 36 L 3.9545 7.7400 122.0293 57.9425 41.9986 178.4717 37 R 4.0628 8.2115 118.9992 59.9399 29.8026 178.3271 38 D 4.3993 8.0363 116.6184 57.0980 40.8783 178.4348 39 S 4.4734 7.8601 114.1945 58.7894 63.1923 174.0054 40 V 3.6784 7.0493 123.0929 59.8223 31.6902 174.4852 41 P 4.6220 0.0000 0.0000 65.0367 31.1860 178.5377 42 S 3.8334 7.7670 113.8051 60.3528 63.1599 174.6119 43 L 4.4419 7.7360 119.1110 54.7226 42.6353 176.5038 44 Q 4.1280 7.4046 119.4602 57.2392 28.7774 177.6053 45 G 4.0074 8.9303 110.6336 45.5579 0.0000 172.7004 46 E 4.6693 7.8549 118.4645 54.1787 31.8590 175.5850 47 K 4.2723 8.3766 120.6754 55.6316 33.0587 176.5643 48 A 4.6762 8.1428 125.7331 49.4701 22.3612 176.2733 49 S 4.4271 8.4831 116.4641 57.6955 65.6947 175.6925 50 R 3.5401 8.3007 121.3151 59.4029 29.6162 179.2058 51 A 4.0815 7.8626 120.0646 55.0407 18.3666 179.5733 52 Q 3.9347 8.1007 116.6882 59.0836 28.8248 178.8349 53 I 3.7515 7.8765 120.7820 64.5298 37.1930 178.4517 54 L 4.0850 8.0565 119.5954 57.8991 41.4635 179.4624 55 D 4.3438 8.3247 118.7319 57.5448 40.9180 179.1303 56 K 4.3069 9.0989 120.3530 58.5438 31.8750 179.5109 57 A 4.0692 8.1678 121.3760 55.5379 18.4414 179.5524 58 T 3.8656 8.0760 114.3716 66.9169 68.0051 176.3871 59 E 3.9854 8.3465 120.2196 59.7346 29.4950 178.8359 60 Y 4.3642 8.1613 119.2051 60.9969 38.9291 178.1314 61 I 3.5530 8.3111 121.0973 64.4658 37.1707 178.5224 62 Q 3.9830 8.0231 118.4184 58.9135 28.4830 177.8331 63 Y 4.1595 8.1276 120.5165 61.1802 38.8026 177.9618 64 M 3.5612 8.0635 119.6474 58.5385 32.0684 179.0611 65 R 3.8223 7.8939 117.7760 59.3159 30.1414 179.1805 66 R 3.8484 7.9138 117.7674 59.1427 30.1519 178.7373 67 K 3.5566 8.0881 119.5208 59.7503 32.0128 178.6144 68 N 4.2223 8.1553 116.5908 56.3907 38.4895 176.6366 69 H 4.1235 8.1726 119.8951 59.6599 29.8990 177.2429 70 T 3.7216 7.9522 111.4281 65.2467 68.3026 176.0809 71 H 4.4173 7.8770 117.8463 58.2319 28.8018 177.3605 72 Q 4.0788 7.9447 121.8535 59.0829 28.8970 177.7782 73 Q 3.9515 7.7633 119.0780 59.3973 28.8244 179.0045 74 D 4.5654 8.2181 119.0785 56.8140 40.6409 179.0905 75 I 3.8713 7.8962 121.1600 64.3176 37.3602 177.5510 76 D 4.3785 8.1137 119.1123 57.8961 40.5687 178.7087 77 D 4.4174 8.6302 118.7385 56.2444 40.8418 177.8813 78 L 4.1904 7.4726 118.9637 56.2864 42.0522 177.7217 79 K 4.0959 7.9953 118.2769 57.9938 32.4622 177.6895 80 R 4.3107 7.8468 116.5244 57.0434 30.5332 177.6034 81 Q 4.2176 7.5102 119.0655 58.1010 29.5843 174.8988 82 N 4.5267 8.0846 120.7630 53.4618 38.7006 174.7850 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 10 S 8.33 4.46 0.00 3.96 3.92 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 11 D 8.55 4.56 0.00 2.68 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 12 A 8.80 4.17 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 13 D 8.10 4.43 0.00 2.78 2.75 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 14 K 7.95 4.10 0.00 1.87 1.86 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.69 7.81 15 R 8.03 3.95 0.00 2.01 2.00 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 16 A 8.12 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.92 4.07 0.00 3.26 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.06 4.09 0.00 3.24 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.44 4.31 0.00 3.06 2.85 0.00 0.00 6.97 7.27 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 20 A 8.09 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 3.95 0.00 1.75 1.68 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.87 3.95 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 23 R 7.96 3.92 0.00 2.08 2.01 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 24 K 7.93 3.92 0.00 1.88 1.90 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 25 R 7.81 3.89 0.00 1.95 2.06 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 26 R 8.49 4.00 0.00 2.02 1.99 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 27 D 8.32 4.44 0.00 2.85 2.73 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 0.00 0.00 0.00 28 H 8.44 4.22 0.00 3.20 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.73 3.66 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 1.14 0.00 0.00 30 K 8.03 4.13 0.00 2.01 2.07 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 31 D 8.27 4.56 0.00 3.09 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.19 0.00 3.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 4.10 0.00 3.39 3.05 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 0.00 0.00 0.00 34 H 8.41 4.12 0.00 3.27 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.20 4.20 0.00 3.93 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 36 L 7.74 3.95 0.00 1.83 1.73 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.21 4.06 0.00 2.12 2.01 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 38 D 8.04 4.40 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.47 0.00 4.04 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 0.00 40 V 7.05 3.68 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 0.82 0.00 0.00 0.93 0.00 0.00 41 P 0.00 4.62 0.00 2.15 2.20 0.00 2.67 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 42 S 7.77 3.83 0.00 3.82 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 43 L 7.74 4.44 0.00 1.89 1.65 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.40 4.13 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.66 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 45 G 8.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 4.67 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 47 K 8.38 4.27 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.41 7.81 48 A 8.14 4.68 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.48 4.43 0.00 4.00 3.95 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 50 R 8.30 3.54 0.00 1.59 1.59 0.00 2.80 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 51 A 7.86 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.10 3.93 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 I 7.88 3.75 2.24 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 1.12 0.00 0.00 54 L 8.06 4.08 0.00 1.95 1.79 0.94 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.32 4.34 0.00 2.94 2.73 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 0.00 0.00 0.00 56 K 9.10 4.31 0.00 1.82 1.86 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 57 A 8.17 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.08 3.87 4.45 0.00 0.00 0.00 0.00 0.00 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 59 E 8.35 3.99 0.00 2.21 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 2.35 2.35 0.00 60 Y 8.16 4.36 0.00 3.04 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 61 I 8.31 3.55 1.90 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 1.53 0.97 0.89 0.00 0.00 62 Q 8.02 3.98 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 63 Y 8.13 4.16 0.00 2.93 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 64 M 8.06 3.56 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.70 0.00 65 R 7.89 3.82 0.00 1.94 1.92 0.00 3.09 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.89 0.00 66 R 7.91 3.85 0.00 1.97 1.92 0.00 3.32 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 67 K 8.09 3.56 0.00 1.31 1.40 0.00 1.30 0.00 0.00 1.19 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.08 1.25 7.81 68 N 8.16 4.22 0.00 2.82 2.80 0.00 0.00 6.63 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.17 4.12 0.00 3.28 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.95 3.72 4.17 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 1.18 0.00 0.00 71 H 7.88 4.42 0.00 3.29 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.94 4.08 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 73 Q 7.76 3.95 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 74 D 8.22 4.57 0.00 2.69 2.72 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 75 I 7.90 3.87 2.09 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 1.51 0.69 0.90 0.00 0.00 76 D 8.11 4.38 0.00 2.82 2.73 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 0.00 0.00 0.00 77 D 8.63 4.42 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.47 4.19 0.00 2.09 1.64 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.00 4.10 0.00 1.82 1.98 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 80 R 7.85 4.31 0.00 1.93 1.95 0.00 3.29 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 81 Q 7.51 4.22 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 82 N 8.08 4.53 0.00 2.93 2.70 0.00 0.00 6.93 7.67 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