NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5696 8.3049 120.3409 55.4433 33.4524 174.1857 2 Y 4.7476 8.5250 118.3328 56.0388 40.5345 173.7827 3 L 5.0381 8.6870 123.2840 53.4284 44.8880 176.2023 4 T 4.4798 8.9495 112.2241 61.4614 70.1206 175.1187 5 L 3.5589 9.1141 123.5666 58.6333 41.7146 178.9405 6 Q 4.0210 8.0490 117.1875 59.2980 29.3036 177.6377 7 E 4.1099 8.2263 119.6580 58.8771 29.5396 178.9093 8 W 3.8754 8.6145 128.7789 60.6152 30.2848 177.5192 9 N 4.1541 8.8691 116.8654 56.4756 38.0931 176.1024 10 A 4.1571 7.4774 120.0573 53.5611 18.8118 178.5576 11 R 4.2129 7.2401 114.7377 55.6221 31.0868 176.8610 12 Q 3.9770 6.3913 116.6119 55.1033 29.4819 176.3161 13 R 3.9696 8.5638 119.4771 59.0145 30.0779 177.4448 14 R 4.4670 7.4610 116.7527 52.9200 31.1015 172.7261 15 P 4.5262 0.0000 0.0000 62.8059 31.9988 176.2528 16 R 4.7854 8.4955 121.2141 53.7765 33.2927 176.2538 17 S 4.2738 8.1691 112.7783 58.7946 64.8509 175.0342 18 L 3.9762 8.3917 123.3966 57.8327 41.4016 179.4750 19 E 3.8792 8.0217 118.9285 59.5170 29.6614 178.6963 20 T 3.5390 7.5488 115.5806 66.6631 68.4992 176.7609 21 V 2.9797 7.0287 119.5995 65.6512 31.4369 178.3376 22 R 3.9941 8.0651 118.0556 59.3211 29.7892 179.1265 23 R 3.9625 8.0314 117.8344 58.9945 29.8835 179.2466 24 W 4.4604 7.9455 118.8629 59.7675 29.1456 178.6413 25 V 3.4559 7.8398 118.0808 66.2000 30.7211 178.1828 26 R 4.0022 7.9838 116.3884 58.9693 29.9864 177.9058 27 E 4.3839 7.7400 115.3324 55.7639 28.9332 176.8055 28 S 3.9877 7.9686 114.8244 59.4070 60.8625 171.9103 29 R 3.9884 8.2730 120.5176 57.7119 30.6156 176.0271 30 I 4.7577 7.2464 121.8949 59.7464 39.0689 174.5183 31 F 5.1640 9.3676 129.6715 55.3881 42.1969 172.7121 32 P 4.3134 0.0000 0.0000 61.5520 32.0567 174.3811 33 P 4.4133 0.0000 0.0000 61.1567 32.0440 174.4575 34 P 4.1460 0.0000 0.0000 62.8525 32.0725 175.9847 35 V 4.1206 8.3593 121.9364 62.1088 33.8060 174.2702 36 K 4.8947 8.4942 124.6097 54.6086 34.0714 174.7376 37 D 4.7592 8.8693 127.7200 52.7563 44.0754 177.8427 38 G 3.9507 8.9593 118.2198 46.9749 0.0000 173.9843 39 R 4.0734 9.2430 120.3941 57.2732 31.2204 176.1200 40 E 4.6171 7.7882 114.4648 54.4483 31.9875 174.4015 41 Y 5.2221 8.2069 116.9525 57.5905 39.5199 175.0940 42 L 5.4025 8.9590 121.3445 53.2674 45.9202 175.6292 43 F 5.0575 9.6904 121.6089 55.5121 42.4173 174.9654 44 H 3.1972 8.3878 120.9001 55.5796 30.3815 176.3319 45 E 4.0079 8.0893 124.3648 59.0621 29.4344 178.0872 46 S 4.6258 8.1454 111.5050 57.8466 63.5644 173.9084 47 A 4.4034 7.7767 123.0251 52.9266 18.8102 177.5193 48 V 4.8451 9.1138 119.9398 61.0566 35.8713 174.0346 49 K 4.7216 8.9692 127.2825 56.2982 32.6198 176.2110 50 V 4.5384 9.0673 120.7039 59.4787 35.7153 174.5729 51 D 4.7080 8.4853 120.8489 52.8871 42.4272 175.2929 52 L 4.4347 8.4947 125.5551 54.6546 41.9111 176.0915 53 N 4.9108 8.2840 116.8103 52.0836 40.9158 175.2372 54 R 4.6571 7.9164 116.2868 54.2134 30.7141 173.9294 55 P 4.4051 0.0000 0.0000 63.0343 31.2334 177.0836 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 M 8.30 4.57 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 2 Y 8.53 4.75 0.00 2.81 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 3 L 8.69 5.04 0.00 1.77 1.67 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.95 4.48 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 1.34 0.00 0.00 5 L 9.11 3.56 0.00 2.04 1.86 1.15 0.64 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 6 Q 8.05 4.02 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 7 E 8.23 4.11 0.00 2.34 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 2.35 2.34 0.00 8 W 8.61 3.88 0.00 3.01 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.87 4.15 0.00 3.04 2.99 0.00 0.00 7.21 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.48 4.16 1.33 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 0.00 0.00 11 R 7.24 4.21 0.00 1.64 1.80 0.00 3.07 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 12 Q 6.39 3.98 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 13 R 8.56 3.97 0.00 1.75 1.98 0.00 3.12 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 14 R 7.46 4.47 0.00 1.78 1.87 0.00 3.38 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 15 P 0.00 4.53 0.00 2.01 2.04 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 16 R 8.50 4.79 0.00 1.54 1.73 0.00 3.40 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 17 S 8.17 4.27 0.00 3.99 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 18 L 8.39 3.98 0.00 1.70 1.77 0.93 0.80 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 19 E 8.02 3.88 0.00 2.04 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 2.34 2.41 0.00 20 T 7.55 3.54 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 0.32 0.00 0.00 21 V 7.03 2.98 2.17 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 1.24 0.00 0.00 0.91 0.00 0.00 22 R 8.07 3.99 0.00 2.10 2.03 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 23 R 8.03 3.96 0.00 1.94 2.02 0.00 3.10 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 24 W 7.95 4.46 0.00 3.74 3.10 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 25 V 7.84 3.46 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.76 0.00 0.00 26 R 7.98 4.00 0.00 2.03 2.03 0.00 3.24 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 27 E 7.74 4.38 0.00 2.11 2.03 0.00 0.00 0.00 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 2.46 0.00 28 S 7.97 3.99 0.00 4.08 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 29 R 8.27 3.99 0.00 1.89 1.73 0.00 3.09 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 30 I 7.25 4.76 1.67 0.00 0.00 0.80 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 1.33 0.65 0.00 0.00 31 F 9.37 5.16 0.00 3.01 2.83 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 0.00 0.00 0.00 32 P 0.00 4.31 0.00 1.86 1.48 0.00 3.54 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 33 P 0.00 4.41 0.00 2.07 2.00 0.00 3.23 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 34 P 0.00 4.15 0.00 1.35 0.49 0.00 3.33 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.00 35 V 8.36 4.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 36 K 8.49 4.89 0.00 1.78 1.66 0.00 1.12 0.00 0.00 1.26 0.00 0.00 2.83 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.22 1.34 7.81 37 D 8.87 4.76 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.96 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 0.00 0.00 0.00 39 R 9.24 4.07 0.00 1.78 1.95 0.00 3.16 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 40 E 7.79 4.62 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 2.42 2.31 0.00 41 Y 8.21 5.22 0.00 3.06 2.61 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 42 L 8.96 5.40 0.00 1.70 1.79 0.97 1.13 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 43 F 9.69 5.06 0.00 2.86 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 44 H 8.39 3.20 0.00 2.87 2.97 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.09 4.01 0.00 1.87 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 2.30 2.46 0.00 46 S 8.15 4.63 0.00 3.89 3.93 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 0.00 0.00 0.00 47 A 7.78 4.40 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.11 4.85 2.24 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 0.94 0.00 0.00 1.02 0.00 0.00 49 K 8.97 4.72 0.00 1.88 1.60 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.00 0.84 7.81 50 V 9.07 4.54 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 0.71 0.00 0.00 0.96 0.00 0.00 51 D 8.49 4.71 0.00 2.51 2.47 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 52 L 8.49 4.43 0.00 1.64 1.63 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.28 4.91 0.00 2.75 2.72 0.00 0.00 6.65 7.94 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 54 R 7.92 4.66 0.00 1.71 1.80 0.00 3.18 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 55 P 0.00 4.41 0.00 2.16 2.03 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00