NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 N 4.6670 8.4093 118.1258 52.5878 40.6266 173.2990 47 I 4.0631 7.2126 111.3818 57.5811 40.3664 175.0060 48 D 4.2610 7.8529 115.0595 54.8944 38.2780 175.3650 49 T 4.2313 7.4688 119.7014 65.0537 69.9577 176.3104 50 M 4.0496 8.1622 120.7066 58.6221 31.5481 177.9767 51 A 4.0063 8.0069 119.6868 55.4910 18.5225 179.5262 52 K 3.9609 8.0143 117.1306 59.4947 32.4083 178.6978 53 A 3.9950 8.6655 121.8721 55.0926 18.1411 179.5708 54 L 3.9497 8.0306 117.4281 58.3409 41.7226 179.9399 55 T 3.8806 7.5799 114.3040 66.8601 68.3680 176.8601 56 T 3.8646 8.0801 117.7623 66.9159 68.5058 176.2916 57 M 4.0229 8.5205 120.3928 58.6580 32.1775 177.9330 58 Q 4.0474 8.3919 119.9675 59.4315 29.2520 178.2759 59 E 4.2644 8.3485 120.8524 58.7154 29.3797 179.3520 60 Q 3.9943 8.1845 118.3961 59.0060 28.7392 178.8048 61 I 3.7035 8.2540 121.2016 64.4419 36.7031 178.2335 62 D 4.3873 8.4235 119.9595 57.3743 40.5810 178.7596 63 S 4.0538 8.5340 113.9278 61.2764 62.4293 175.9995 64 L 3.8042 8.2009 123.1011 58.1184 41.8539 178.5645 65 A 3.4230 8.3079 120.8465 54.8989 17.9931 179.4273 66 A 3.8055 7.7755 119.1000 55.2718 18.4483 180.0934 67 V 3.4579 7.3630 116.4278 66.0123 31.5371 178.3346 68 V 3.4868 8.0863 118.2870 66.0892 31.2611 178.0180 69 L 3.9458 8.3245 118.9583 57.8157 41.3396 179.3350 70 Q 3.9357 8.2019 119.5704 59.1552 28.8854 177.9988 71 N 4.3021 8.5160 118.1694 56.1283 38.5163 177.3876 72 R 3.8608 8.2166 120.5703 59.4605 30.0986 178.7917 73 R 4.0792 8.3912 118.3605 59.0822 30.0159 179.2427 74 G 3.6075 8.2660 105.7807 47.9199 0.0000 175.8012 75 L 4.0299 8.2021 122.1039 57.5174 41.3753 179.3870 76 D 4.4652 8.3644 118.5799 57.4007 41.0132 178.1826 77 M 4.1772 8.3701 119.1571 58.6818 32.0924 178.3519 78 L 4.2023 8.0466 117.9762 56.6404 41.8780 177.8648 79 T 4.5606 7.4979 108.2187 60.9716 69.3978 175.8566 80 A 3.9458 7.8937 127.4830 56.1607 18.4455 180.9115 81 A 3.9970 7.9971 116.9768 54.9769 18.5420 178.0443 82 Q 4.2905 7.9851 112.2434 55.8550 29.0950 176.1393 83 G 3.7377 7.8127 106.4216 45.9568 0.0000 174.4888 84 G 4.0049 8.2257 105.4298 44.5276 0.0000 175.4004 85 I 3.6461 8.9092 119.2789 63.9762 37.7309 177.7055 86 C 4.2362 8.0462 116.9354 60.1718 39.7479 176.0128 87 L 3.8348 7.8902 119.7393 57.6060 41.0333 179.2634 88 A 4.1645 8.1243 120.5300 54.6046 18.4012 178.7113 89 L 4.2533 8.0561 115.4213 53.7529 42.5970 176.1447 90 D 4.4070 7.9285 117.8484 54.6435 38.6192 172.8917 91 E 4.7562 8.1660 115.9192 54.9168 33.5839 176.0908 92 K 4.1129 8.3634 121.7294 56.1539 32.8801 177.1856 93 C 4.2020 8.6782 126.3034 56.5566 44.1943 172.2222 94 C 4.6033 8.0190 124.3230 58.3398 29.2132 172.8412 95 F 5.0218 8.3744 121.1583 55.1380 42.3654 174.3767 96 W 5.0057 8.7637 131.5799 56.7161 31.3484 175.9089 97 V 3.6408 6.5962 115.8403 60.9049 31.8320 176.3407 98 N 4.3829 8.0583 117.0674 53.1130 37.3161 174.5891 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 46 N 8.41 4.67 0.00 2.71 2.94 0.00 0.00 6.79 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.21 4.06 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 0.75 0.91 0.00 0.00 48 D 7.85 4.26 0.00 2.89 3.06 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 0.00 0.00 0.00 49 T 7.47 4.23 4.24 0.00 0.00 0.00 0.00 0.00 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 50 M 8.16 4.05 0.00 2.05 2.14 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 2.70 2.58 0.00 51 A 8.01 4.01 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 52 K 8.01 3.96 0.00 1.84 1.98 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 53 A 8.67 3.99 1.40 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 0.00 0.00 54 L 8.03 3.95 0.00 1.91 1.74 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.58 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 56 T 8.08 3.86 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 1.22 0.00 0.00 57 M 8.52 4.02 0.00 2.18 2.13 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 2.62 2.58 0.00 58 Q 8.39 4.05 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.71 0.00 59 E 8.35 4.26 0.00 2.19 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 0.00 2.35 2.54 0.00 60 Q 8.18 3.99 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 61 I 8.25 3.70 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.06 1.14 0.00 0.00 62 D 8.42 4.39 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.53 4.05 0.00 3.84 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.80 0.00 1.83 1.64 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.31 3.42 0.10 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 0.00 0.00 66 A 7.78 3.81 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 67 V 7.36 3.46 2.13 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 0.94 0.00 0.00 0.94 0.00 0.00 68 V 8.09 3.49 1.97 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 0.96 0.00 0.00 0.86 0.00 0.00 69 L 8.32 3.95 0.00 1.79 1.70 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.20 3.94 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 71 N 8.52 4.30 0.00 2.88 2.81 0.00 0.00 6.61 7.45 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 72 R 8.22 3.86 0.00 1.86 2.10 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 73 R 8.39 4.08 0.00 2.04 1.97 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 74 G 8.27 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.03 0.00 1.80 1.71 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.36 4.47 0.00 2.76 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 77 M 8.37 4.18 0.00 2.18 2.11 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 2.60 2.72 0.00 78 L 8.05 4.20 0.00 1.79 1.71 0.91 0.71 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 79 T 7.50 4.56 4.24 0.00 0.00 0.00 0.00 0.00 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 80 A 7.89 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.00 4.00 1.29 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 0.00 0.00 0.00 82 Q 7.99 4.29 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 83 G 7.81 3.74 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 0.00 0.00 0.00 84 G 8.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.91 3.65 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.90 0.00 0.00 86 C 8.05 4.24 0.00 2.97 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.89 3.83 0.00 1.89 1.72 1.00 0.83 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 88 A 8.12 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.06 4.25 0.00 1.77 1.70 0.91 1.02 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 90 D 7.93 4.41 0.00 2.91 2.79 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 91 E 8.17 4.76 0.00 1.88 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 2.21 2.35 0.00 92 K 8.36 4.11 0.00 1.73 1.72 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 93 C 8.68 4.20 0.00 2.95 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.02 4.60 0.00 2.86 2.79 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 95 F 8.37 5.02 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 W 8.76 5.01 0.00 3.23 3.06 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 0.00 0.00 0.00 97 V 6.60 3.64 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.92 0.00 0.00 98 N 8.06 4.38 0.00 2.70 2.64 0.00 0.00 5.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00