NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8131 8.4449 117.8217 56.6423 30.4306 173.0966 2 M 4.1914 8.0184 118.4593 55.9780 34.4764 176.3313 3 G 4.0828 8.8684 102.5331 46.1400 0.0000 172.3396 4 H 4.8819 8.4333 113.1336 54.8391 30.8598 173.6692 5 I 4.5841 7.5712 119.7001 59.8114 39.7683 175.1155 6 Q 4.5199 8.1701 122.0138 55.2183 28.8683 176.7112 7 I 4.3640 7.4090 118.1469 58.6597 39.1910 173.2519 8 P 4.3673 0.0000 0.0000 61.4345 31.0672 175.0134 9 P 4.3211 0.0000 0.0000 63.3122 31.7375 176.9606 10 G 3.9688 8.6844 107.2988 46.5644 0.0000 174.9365 11 L 4.2985 7.5790 122.3130 58.2567 42.2546 178.0813 12 T 3.8834 8.0067 115.2792 65.9894 68.2851 175.4775 13 E 3.8922 8.1711 119.9889 60.0923 29.5960 179.0402 14 L 4.0150 7.3276 118.1933 58.3476 42.2279 179.2477 15 L 4.2185 8.2862 118.1162 58.3534 41.6185 179.0706 16 Q 4.0220 8.8213 119.3228 59.5601 28.7792 178.9948 17 G 4.0142 8.3382 106.1656 48.5552 0.0000 174.0952 18 Y 4.1743 7.9451 121.5532 61.2742 38.3316 178.4094 19 T 3.7943 8.0233 116.1885 66.9796 68.4489 176.6751 20 V 3.6259 7.8761 119.0702 65.4999 31.8725 177.1491 21 E 4.1597 8.3888 119.0407 58.3466 29.7187 178.3537 22 V 2.7752 7.1585 117.7816 65.8305 31.1102 178.0408 23B L 4.0074 7.3270 117.7597 56.9622 41.7098 178.3168 24 R 4.2716 7.4533 115.1402 57.2887 29.9133 177.3495 25 Q 4.2374 7.8545 112.9318 59.1514 29.8812 176.8154 26 Q 3.7162 7.2958 115.1380 58.3710 24.6536 174.2739 27 P 4.3816 0.0000 0.0000 61.3440 32.1757 176.2924 28 P 4.4219 0.0000 0.0000 64.5582 31.6564 176.1281 29 D 4.4524 7.3629 115.9378 52.6082 44.8642 175.8835 30 L 4.2214 8.3861 125.7695 58.0639 42.3964 179.1555 31 V 3.5649 7.6660 116.8439 66.4448 31.7303 177.4113 32 D 4.4070 8.1893 116.9579 57.4878 41.1641 178.1361 33 F 4.1076 8.1721 121.0202 61.1426 39.3519 177.0112 34 A 4.8313 9.4887 122.7513 54.7193 18.1754 179.8507 35 V 3.6840 8.0894 116.8676 66.0679 31.6287 178.2267 36 E 3.8882 8.4262 118.5190 59.5204 29.4146 178.4352 37 Y 3.7508 7.6958 119.5882 60.7098 38.5926 178.4307 38 F 4.0225 7.8909 118.2171 61.0487 38.9122 177.6138 39 T 3.8784 7.9574 114.2593 67.1488 68.4913 176.2286 40 R 4.0443 7.9222 119.5288 58.7671 30.2308 178.3300 41 L 3.7636 7.5258 120.1948 58.5503 41.5987 179.3740 42 R 3.9713 7.5801 117.0815 58.4344 30.1827 177.7903 43 E 4.4995 8.4939 116.2414 56.2140 29.5678 177.4200 44 A 3.7560 7.8957 121.0562 55.6284 18.9457 179.7798 45 R 3.8384 7.6857 115.5920 59.0076 30.9808 176.5139 46 R 4.0567 8.0673 122.1868 56.8012 29.9461 175.6074 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 H 8.44 4.81 0.00 3.19 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.02 4.19 0.00 1.97 1.99 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 2.47 2.59 0.00 3 G 8.87 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.43 4.88 0.00 3.09 3.28 0.00 5.86 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.57 4.58 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.91 0.00 0.00 6 Q 8.17 4.52 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 7 I 7.41 4.36 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 1.47 1.05 0.91 0.00 0.00 8 P 0.00 4.37 0.00 2.16 2.08 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 9 P 0.00 4.32 0.00 2.24 2.21 0.00 3.82 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 10 G 8.68 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 0.00 0.00 0.00 11 L 7.58 4.30 0.00 1.67 1.80 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.01 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 E 8.17 3.89 0.00 2.10 2.01 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 2.43 2.55 0.00 14 L 7.33 4.01 0.00 2.16 1.83 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.29 4.22 0.00 2.00 1.81 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.82 4.02 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 17 G 8.34 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 18 Y 7.95 4.17 0.00 3.19 3.11 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 0.00 0.00 0.00 0.00 19 T 8.02 3.79 4.40 0.00 0.00 0.00 0.00 0.00 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 20 V 7.88 3.63 2.27 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 0.82 0.00 0.00 0.99 0.00 0.00 21 E 8.39 4.16 0.00 1.86 1.88 0.00 0.00 0.00 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 2.25 0.00 22 V 7.16 2.78 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.04 0.00 0.00 23B L 7.33 4.01 0.00 1.97 1.60 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.45 4.27 0.00 2.09 1.90 0.00 3.31 0.00 0.00 3.39 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 Q 7.85 4.24 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 26 Q 7.30 3.72 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 27 P 0.00 4.38 0.00 2.19 1.82 0.00 3.31 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.00 28 P 0.00 4.42 0.00 2.20 2.21 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 29 D 7.36 4.45 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.22 0.00 1.77 1.71 0.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.67 3.56 2.16 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 0.99 0.00 0.00 1.00 0.00 0.00 32 D 8.19 4.41 0.00 2.82 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 33 F 8.17 4.11 0.00 3.25 3.19 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 34 A 9.49 4.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.68 2.31 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 1.13 0.00 0.00 1.01 0.00 0.00 36 E 8.43 3.89 0.00 1.92 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 2.46 2.49 0.00 37 Y 7.70 3.75 0.00 2.05 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 4.02 0.00 3.45 2.94 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 39 T 7.96 3.88 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 1.20 0.00 0.00 40 R 7.92 4.04 0.00 1.96 1.85 0.00 3.17 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 41 L 7.53 3.76 0.00 1.42 1.81 0.84 1.10 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 42 R 7.58 3.97 0.00 1.92 1.96 0.00 3.21 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 43 E 8.49 4.50 0.00 2.06 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 2.23 2.32 0.00 44 A 7.90 3.76 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.69 3.84 0.00 1.76 1.97 0.00 3.31 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 46 R 8.07 4.06 0.00 1.74 1.95 0.00 3.33 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00