NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.3754 8.4444 117.8532 56.1727 29.1300 171.3705 2 M 2.7398 8.5476 125.7357 55.2381 29.9084 174.1454 3 G 4.1735 8.4830 115.1791 44.1298 0.0000 169.7979 4 H 4.4789 7.7780 115.4311 55.7314 32.6324 173.2097 5 I 4.5666 8.4324 120.5350 59.8998 39.3628 174.9980 6 Q 4.6506 8.3408 120.6990 54.6494 31.8358 173.7596 7 I 4.5752 7.9655 117.5722 58.5831 39.9459 173.9455 8 P 4.4009 0.0000 0.0000 61.8014 31.9094 174.6125 9 P 4.4831 0.0000 0.0000 62.6123 32.5065 174.8353 10 G 4.2107 9.0504 107.4870 46.5189 0.0000 175.9835 11 L 3.9416 8.2357 120.7472 58.4367 41.9888 179.1019 12 T 3.8898 7.8682 114.9340 66.7488 68.2305 176.0463 13 E 3.9456 8.2485 120.6633 59.1839 29.6676 178.4148 14 L 4.1333 8.3499 120.7033 58.2676 42.0143 178.7704 15 L 4.2059 8.1765 118.9007 57.8521 41.5788 179.2514 16 Q 4.1626 8.4856 119.7989 59.4068 28.7736 178.9652 17 G 3.6654 7.8607 106.2202 47.9000 0.0000 174.9797 18 Y 4.3546 7.7566 122.9649 60.3383 38.6347 177.9427 19 T 3.7060 8.7340 116.1779 67.4877 68.7289 175.7397 20 V 3.5448 7.9280 120.4453 64.7633 31.3793 177.3259 21 E 3.8190 8.1515 116.7333 59.8951 29.4200 179.5835 22 V 3.1755 7.5881 118.6817 65.7225 31.1963 178.1129 23 L 3.8594 7.6780 117.4849 57.5474 41.6742 178.8569 24 R 3.9723 7.7718 116.7566 59.8311 30.0975 178.1187 25 Q 3.8974 8.3010 116.4403 56.4740 29.7950 176.1025 26 Q 3.2444 7.7327 119.5302 56.3257 27.7525 171.1336 27 P 4.3883 0.0000 0.0000 61.7651 32.8142 175.4955 28 P 4.2746 0.0000 0.0000 65.4019 31.8900 176.2992 29 D 4.9335 7.7957 119.9414 51.5492 42.9089 176.8932 30 L 4.3439 8.5659 125.8958 58.1702 42.2647 177.9424 31 V 3.7753 8.1095 117.7532 66.5212 31.1965 176.9124 32 D 4.4140 8.1491 116.3944 57.4448 41.1613 178.3855 33 F 4.3648 8.0422 119.5101 61.5785 39.3329 176.6812 34 A 4.0230 8.9996 122.6305 54.7040 17.9600 179.8362 35 V 3.6375 7.8855 116.2506 66.0328 31.2198 178.0900 36 E 4.0829 8.3408 118.3921 59.3207 29.3034 177.8494 37 Y 4.1239 7.9791 120.6062 59.8979 38.4724 177.1502 38 F 3.9711 7.6055 118.2200 61.1144 39.0651 177.9665 39 T 3.8607 7.4824 113.7776 66.7664 68.4958 176.3015 40 R 4.0146 7.5976 120.0250 58.9579 30.0306 178.3846 41 L 3.8296 7.5878 119.1149 57.8619 41.2154 179.3835 42 R 3.9225 7.6333 117.5170 59.5114 29.7551 178.5722 43 E 3.9334 7.9174 117.7482 58.8616 29.5691 178.5243 44 A 4.2211 8.2220 120.8649 54.2296 19.7549 178.5032 45 R 4.0566 7.3523 118.0846 56.5501 28.2334 176.4961 46 R 4.1420 8.0293 120.2021 56.2377 30.2753 176.2689 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 4.38 0.00 3.17 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.55 2.74 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 3 G 8.48 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 0.00 0.00 0.00 0.00 4 H 7.78 4.48 0.00 3.13 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.43 4.57 1.89 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 1.48 0.50 0.92 0.00 0.00 6 Q 8.34 4.65 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 7 I 7.97 4.58 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 0.96 0.91 0.00 0.00 8 P 0.00 4.40 0.00 2.17 2.05 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 4.48 0.00 2.21 2.11 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 10 G 9.05 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 0.00 0.00 0.00 0.00 11 L 8.24 3.94 0.00 1.77 1.70 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.87 3.89 4.27 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 1.24 0.00 0.00 13 E 8.25 3.95 0.00 2.06 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 0.00 2.42 2.40 0.00 14 L 8.35 4.13 0.00 2.10 1.86 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.18 4.21 0.00 1.84 1.85 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.49 4.16 0.00 2.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 17 G 7.86 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 0.00 0.00 0.00 18 Y 7.76 4.35 0.00 2.80 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 19 T 8.73 3.71 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 1.18 0.00 0.00 20 V 7.93 3.54 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 1.11 0.00 0.00 0.99 0.00 0.00 21 E 8.15 3.82 0.00 2.33 2.21 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 2.31 2.27 0.00 22 V 7.59 3.18 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 0.84 0.00 0.00 0.26 0.00 0.00 23 L 7.68 3.86 0.00 1.71 1.63 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.77 3.97 0.00 1.71 1.91 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 25 Q 8.30 3.90 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.43 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 26 Q 7.73 3.24 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 27 P 0.00 4.39 0.00 2.02 1.64 0.00 3.61 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.75 0.00 28 P 0.00 4.27 0.00 2.19 2.19 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 29 D 7.80 4.93 0.00 2.80 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 30 L 8.57 4.34 0.00 1.82 1.77 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.11 3.78 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 1.03 0.00 0.00 0.99 0.00 0.00 32 D 8.15 4.41 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.36 0.00 3.33 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.64 2.32 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 1.05 0.00 0.00 1.01 0.00 0.00 36 E 8.34 4.08 0.00 2.22 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 2.39 2.61 0.00 37 Y 7.98 4.12 0.00 2.39 2.41 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 0.00 38 F 7.61 3.97 0.00 3.00 2.89 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 0.00 0.00 0.00 39 T 7.48 3.86 4.34 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 1.21 0.00 0.00 40 R 7.60 4.01 0.00 2.03 1.92 0.00 3.13 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 41 L 7.59 3.83 0.00 1.65 1.61 0.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.63 3.92 0.00 2.02 1.97 0.00 3.14 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 43 E 7.92 3.93 0.00 2.15 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 2.32 0.00 44 A 8.22 4.22 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 45 R 7.35 4.06 0.00 1.75 1.85 0.00 3.45 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 46 R 8.03 4.14 0.00 1.96 1.86 0.00 3.45 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00