NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4500 8.3044 118.1936 54.9980 32.6224 175.2474 2 V 3.5318 8.4667 121.2992 64.6017 31.9143 174.8639 3 I 4.5232 8.0013 121.3495 59.3278 40.4896 174.2705 4 A 4.7232 8.4935 127.9200 50.3914 21.5296 177.5150 5 T 3.8331 8.4506 115.7090 67.1807 68.1525 176.4843 6 D 4.3952 8.1953 118.9981 57.5699 40.8677 178.0316 7 D 4.5887 8.0771 116.9739 55.2622 41.2585 176.6434 8 L 4.7684 8.0398 119.3146 54.7174 44.1405 176.3293 9 E 5.1269 8.0741 114.9965 54.3961 33.2849 175.7598 10 V 4.4930 8.5645 120.4907 60.7174 35.1381 174.5969 11 A 4.2526 8.7593 129.3891 52.2465 19.3101 176.4808 12 C 4.2423 9.0541 123.8842 58.7519 31.8872 172.9197 13 P 4.3152 0.0000 0.0000 65.4305 31.4070 177.8987 14 K 4.0293 8.2149 119.8379 59.2755 32.3997 177.0698 15 C 4.5136 8.0838 110.9210 56.9571 30.0151 173.1171 16 E 3.8847 8.8705 118.0812 57.7975 27.1629 175.7425 17 R 4.2517 8.3492 115.7110 56.3517 29.3762 176.4618 18 A 3.9913 8.2343 120.1884 55.7180 18.4985 179.3228 19 G 4.0455 8.9052 103.2825 45.1466 0.0000 172.6517 20 E 4.9677 7.6035 117.3261 54.6125 32.1707 175.6682 21 I 4.2109 9.0627 124.8142 60.3345 36.8784 175.4521 22 E 3.6494 9.5192 125.9390 57.7012 27.1630 175.3534 23 G 4.0722 7.4053 108.5156 46.5060 0.0000 175.8440 24 T 4.1688 7.8577 112.0734 59.4717 69.7870 172.1320 25 P 4.7226 0.0000 0.0000 62.6913 31.9122 175.7456 26 C 4.1793 8.7707 123.3266 58.9433 32.2041 172.3995 27 P 4.1175 0.0000 0.0000 66.0105 31.3963 177.9327 28 A 3.9751 8.1337 121.7124 54.7682 18.1590 178.4473 29 C 4.1804 7.9807 107.8768 58.6462 31.2174 173.2971 30 S 3.6433 8.3481 116.5220 59.7566 59.6287 173.0304 31 G 4.0475 8.0416 104.7696 46.0509 0.0000 173.9204 32 K 4.0870 7.7187 118.7843 56.4242 32.7490 179.4296 33 G 4.1362 8.3523 106.9070 45.3768 0.0000 173.2562 34 V 4.8824 7.4946 111.1664 59.5440 35.3335 175.2599 35 I 4.5157 8.5588 124.0774 59.6138 39.8997 174.8739 36 L 4.8300 8.1408 125.3237 53.8486 42.9990 176.7146 37 T 4.2456 8.5967 112.8961 61.0047 70.3051 175.4707 38 A 4.1094 8.8251 123.7569 55.6657 18.1423 179.6640 39 Q 4.0097 8.2096 117.4939 59.1627 29.0210 178.5908 40 G 3.5921 7.9066 106.1641 48.0657 0.0000 174.9034 41 Y 4.3189 7.8746 119.9245 60.9964 37.8537 178.7844 42 T 4.0106 8.1806 116.7452 66.9658 68.5952 176.3639 43 L 4.0628 7.7531 120.3882 57.6591 41.8147 179.0338 44 L 3.9784 8.1225 120.3893 58.3432 42.0423 178.5383 45 D 4.3476 8.9830 118.5975 57.2471 41.3061 177.6818 46 F 4.0903 8.0950 120.8772 61.5616 39.3757 176.8680 47 I 3.6119 8.5731 119.3901 64.6806 36.7965 178.0079 48 Q 3.9257 8.2865 119.4377 59.2072 28.7952 178.6014 49 K 3.9429 7.7797 119.5941 59.5973 32.4587 178.0022 50 H 4.5486 7.2830 112.6393 55.1639 29.4540 175.4734 51 L 4.0186 7.4661 123.7969 55.8988 42.4785 176.0575 52 N 4.1856 8.6701 121.9186 54.6345 35.9920 174.1514 53 K 4.1333 8.0978 123.3412 56.5183 32.4170 175.2206 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 4.45 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 V 8.47 3.53 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 8.00 4.52 1.86 0.00 0.00 0.85 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 0.78 0.90 0.00 0.00 4 A 8.49 4.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.45 3.83 4.23 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 1.20 0.00 0.00 6 D 8.20 4.40 0.00 2.61 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.59 0.00 2.81 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 8 L 8.04 4.77 0.00 1.62 1.63 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.07 5.13 0.00 1.77 1.77 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 2.13 2.21 0.00 10 V 8.56 4.49 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 1.03 0.00 0.00 0.91 0.00 0.00 11 A 8.76 4.25 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 12 C 9.05 4.24 0.00 3.01 2.98 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 13 P 0.00 4.32 0.00 2.21 2.17 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 K 8.21 4.03 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 C 8.08 4.51 0.00 3.13 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 16 E 8.87 3.88 0.00 2.12 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 2.26 2.22 0.00 17 R 8.35 4.25 0.00 1.94 2.13 0.00 3.23 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 1.46 1.59 0.00 18 A 8.23 3.99 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 19 G 8.91 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.60 4.97 0.00 1.90 1.80 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 2.20 2.29 0.00 21 I 9.06 4.21 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 1.30 1.24 0.91 0.00 0.00 22 E 9.52 3.65 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 2.21 2.29 0.00 23 G 7.41 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.86 4.17 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 25 P 0.00 4.72 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.58 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 26 C 8.77 4.18 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.12 0.00 2.26 2.28 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 28 A 8.13 3.98 1.31 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 0.00 0.00 0.00 29 C 7.98 4.18 0.00 3.09 3.07 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 0.00 0.00 0.00 0.00 30 S 8.35 3.64 0.00 4.04 3.96 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 31 G 8.04 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.72 4.09 0.00 2.08 1.99 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.52 7.81 33 G 8.35 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.49 4.88 2.04 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 0.70 0.00 0.00 0.95 0.00 0.00 35 I 8.56 4.52 1.85 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 1.23 0.70 0.91 0.00 0.00 36 L 8.14 4.83 0.00 0.86 1.16 0.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.60 4.25 4.23 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 1.20 0.00 0.00 38 A 8.83 4.11 1.39 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 0.00 0.00 39 Q 8.21 4.01 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 7.91 3.59 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 0.00 0.00 0.00 41 Y 7.87 4.32 0.00 3.23 2.95 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 42 T 8.18 4.01 4.43 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 1.22 0.00 0.00 43 L 7.75 4.06 0.00 1.69 1.77 0.93 0.44 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 44 L 8.12 3.98 0.00 1.86 1.80 0.95 1.24 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 45 D 8.98 4.35 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.09 4.09 0.00 3.30 3.31 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 0.00 47 I 8.57 3.61 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.80 0.94 0.00 0.00 48 Q 8.29 3.93 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 49 K 7.78 3.94 0.00 1.80 1.46 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.36 7.81 50 H 7.28 4.55 0.00 2.82 3.11 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.47 4.02 0.00 1.76 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.67 4.19 0.00 2.90 2.88 0.00 0.00 6.80 7.61 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 53 K 8.10 4.13 0.00 1.84 1.63 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.44 7.81