NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3756 8.1133 119.6565 56.1530 32.0949 174.1596 5 E 4.8126 8.5184 120.5490 53.5282 32.4153 174.0714 6 C 4.4507 9.8869 123.8628 59.0996 32.6580 174.0458 7 D 4.4724 8.5663 127.6394 56.3300 40.3155 176.0637 8 Y 4.4126 7.6052 118.4678 58.7795 40.4715 176.0133 9 C 4.0404 8.1006 113.7405 58.5013 30.8036 174.9304 10 G 3.8598 8.1110 108.7185 45.2894 0.0000 173.7826 11 T 4.3092 7.6434 109.2276 61.5983 70.2545 173.3452 12 D 4.9506 8.5236 121.8105 54.2723 41.9389 176.2575 13 I 4.2339 8.6546 124.1070 59.7739 38.0045 175.6479 14 E 3.8955 9.0233 128.6132 55.6359 29.8148 174.8177 15 P 4.2776 0.0000 0.0000 64.2902 31.7175 175.8090 16 G 3.8091 9.5778 107.4312 46.6236 0.0000 172.9377 17 T 4.4445 7.7677 113.6722 62.9118 72.7356 174.3008 18 G 4.0613 8.7353 111.5205 45.4801 0.0000 172.5071 19 T 4.8593 8.5284 113.5391 61.8536 73.1884 173.1154 20 M 5.0797 8.6999 122.9883 53.8674 34.6439 174.3358 21 F 4.7751 9.4361 129.5723 56.9746 41.3862 174.5510 22 V 4.3294 7.6379 126.6806 61.3412 31.8639 175.2007 23 H 4.0982 8.5133 125.9369 55.2524 29.4013 176.8618 24 K 3.8463 8.7369 122.4281 59.7722 31.9241 177.4013 25 D 4.5184 8.0089 114.6545 53.7568 39.6231 176.8431 26 G 3.8575 8.0365 108.9250 45.0011 0.0000 173.5787 27 A 4.3394 8.6806 122.1261 52.5001 19.9810 176.4866 28 T 5.1264 8.2313 114.3581 62.4020 72.6325 174.0481 29 T 4.5856 8.9743 122.3756 62.0671 71.9186 172.8720 30 H 5.0133 9.9284 125.5305 54.9691 30.1081 174.4480 31 F 5.2947 9.2916 123.7304 56.0238 40.6041 177.1210 32 C 4.3778 9.1175 117.2974 60.0911 30.5186 173.5992 33 S 4.5974 7.5567 114.2449 56.4167 66.0807 175.9728 34 S 4.3970 8.3023 118.4750 60.7563 62.6907 176.0483 35 K 3.8137 8.0589 122.8351 59.7278 31.8064 178.3045 36 C 4.2319 7.7310 115.6665 62.7048 27.9680 175.7989 37 E 2.5423 7.7008 120.0659 59.2472 28.8839 179.2063 38 N 4.1761 8.5880 117.2443 56.4669 38.6025 177.2837 39 N 4.4020 8.0924 117.6452 55.9141 38.6369 177.4747 40 A 4.0300 7.4257 122.3832 55.3059 18.2946 179.3972 41 D 4.4613 8.0179 116.4687 57.3358 40.8976 178.6248 42 L 4.2324 7.3840 118.1494 55.7044 41.7143 178.0138 43 G 3.9826 8.3468 107.3693 45.2822 0.0000 173.5668 44 R 4.2798 7.6264 117.8864 55.3844 31.1114 175.8419 45 E 4.4351 8.6084 121.2441 54.7044 30.9050 176.8882 46 A 3.5173 8.2964 127.0336 55.3383 18.3416 179.6171 47 R 3.8725 7.6433 112.9999 58.6685 30.2577 177.1050 48 N 4.4878 8.2422 113.7627 53.2501 39.1255 174.8956 49 L 4.4346 7.2678 119.6914 52.7089 41.8357 176.6236 50 E 3.8645 8.9528 124.8731 59.2837 29.4514 179.1141 51 W 4.4190 7.9008 112.9769 58.1809 28.7792 176.4282 52 T 3.8783 7.1561 117.4074 62.9946 68.6845 175.4870 53 D 4.3029 8.6123 124.9987 57.9624 41.2283 177.9072 54 T 3.8628 7.9316 114.6567 66.7906 68.6733 175.5809 55 A 3.9652 7.6851 122.1700 55.1916 18.6952 177.3640 56 R 4.0685 8.0037 118.2999 56.7356 30.0552 176.7425 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 4 R 8.11 4.38 0.00 1.78 1.89 0.00 3.01 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 5 E 8.52 4.81 0.00 1.99 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 2.51 2.53 0.00 6 C 9.89 4.45 0.00 3.00 2.90 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 7 D 8.57 4.47 0.00 2.54 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 8 Y 7.61 4.41 0.00 2.95 3.09 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 0.00 0.00 0.00 0.00 9 C 8.10 4.04 0.00 3.10 3.37 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 10 G 8.11 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.64 4.31 4.30 0.00 0.00 0.00 0.00 0.00 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 12 D 8.52 4.95 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 4.23 1.90 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 1.18 0.62 0.96 0.00 0.00 14 E 9.02 3.90 0.00 1.93 1.92 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 2.32 2.40 0.00 15 P 0.00 4.28 0.00 2.23 2.06 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 16 G 9.58 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 0.00 0.00 0.00 17 T 7.77 4.44 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.74 4.06 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 0.00 0.00 0.00 19 T 8.53 4.86 4.37 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 1.30 0.00 0.00 20 M 8.70 5.08 0.00 1.97 1.87 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 2.01 2.38 0.00 21 F 9.44 4.78 0.00 3.33 3.13 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 0.00 0.00 0.00 0.00 22 V 7.64 4.33 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.83 0.00 0.00 23 H 8.51 4.10 0.00 3.50 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.74 3.85 0.00 1.74 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 8.01 4.52 0.00 2.83 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 26 G 8.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.68 4.34 1.24 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 0.00 0.00 0.00 28 T 8.23 5.13 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 1.14 0.00 0.00 29 T 8.97 4.59 4.31 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 0.47 0.00 0.00 30 H 9.93 5.01 0.00 3.16 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.29 5.29 0.00 3.05 2.92 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 32 C 9.12 4.38 0.00 3.17 3.17 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 33 S 7.56 4.60 0.00 4.03 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 34 S 8.30 4.40 0.00 3.98 4.10 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 35 K 8.06 3.81 0.00 1.75 1.83 0.00 1.39 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.42 1.38 7.81 36 C 7.73 4.23 0.00 3.46 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 37 E 7.70 2.54 0.00 1.79 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 1.47 1.87 0.00 38 N 8.59 4.18 0.00 2.60 2.78 0.00 0.00 7.14 6.80 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 39 N 8.09 4.40 0.00 3.01 3.11 0.00 0.00 6.86 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 40 A 7.43 4.03 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.02 4.46 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.23 0.00 1.78 1.74 0.93 0.95 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 43 G 8.35 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 0.00 0.00 0.00 44 R 7.63 4.28 0.00 2.16 1.98 0.00 3.26 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 45 E 8.61 4.44 0.00 1.99 1.81 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 2.35 2.31 0.00 46 A 8.30 3.52 0.50 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 0.00 0.00 47 R 7.64 3.87 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 48 N 8.24 4.49 0.00 2.69 2.83 0.00 0.00 6.89 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.27 4.43 0.00 1.27 0.94 1.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.95 3.86 0.00 2.01 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 0.00 2.32 2.34 0.00 51 W 7.90 4.42 0.00 3.57 3.24 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 0.00 52 T 7.16 3.88 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 0.99 0.00 0.00 53 D 8.61 4.30 0.00 2.87 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 54 T 7.93 3.86 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 1.07 0.00 0.00 55 A 7.69 3.97 1.23 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 0.00 0.00 56 R 8.00 4.07 0.00 1.88 1.86 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00