NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3836 8.3049 120.3237 55.4223 32.5859 174.1249 2 E 4.0121 7.5825 122.5576 55.0317 31.2846 174.6606 3 Q 4.3684 9.2195 119.9011 56.0395 30.4342 175.7344 4 R 4.5322 8.5752 124.5039 54.5668 31.8316 175.7059 5 I 4.6923 8.3084 125.0761 59.3081 40.8918 176.1524 6 T 4.4265 8.5831 122.4400 63.1915 68.8094 175.3287 7 L 4.1282 8.3374 125.6441 57.6150 42.0176 179.3092 8 K 4.2443 7.9810 117.8647 59.4471 33.2232 178.3509 9 D 4.5520 7.9916 119.4790 56.8683 41.0585 177.7746 10 Y 4.3800 8.3193 120.0389 60.3228 38.8797 177.1937 11 A 4.1514 7.7943 121.7015 53.9596 18.3838 179.1639 12 M 4.1185 7.8891 116.1483 57.7338 32.6284 178.4099 13 R 4.1310 8.2125 116.4560 57.4405 30.5170 177.2797 14 F 4.4542 8.3213 115.1115 57.5168 41.8516 174.9443 15 G 4.1155 7.5436 107.1301 43.9686 0.0000 174.9991 16 Q 4.0733 8.6910 121.2009 58.2959 28.6183 179.0428 17 T 3.9660 7.7038 116.2586 66.2964 68.8897 176.4913 18 K 4.1473 7.8355 119.9806 59.6817 31.7708 179.3812 19 T 3.9989 7.5622 115.3004 66.5656 68.3109 176.3900 20 A 4.1238 7.9335 121.8060 54.4437 18.2160 179.7191 21 K 4.0198 7.7246 116.7860 59.2371 32.2021 178.5738 22 D 4.5124 8.0489 117.3064 56.6439 41.5077 177.2533 23 L 4.3909 7.8228 116.1567 53.5436 42.6634 176.4603 24 G 3.9132 7.8858 106.8220 47.0476 0.0000 172.4111 25 V 3.8612 7.3840 110.6939 59.1164 35.1797 175.3137 26 Y 4.7480 6.8398 117.0453 57.0960 39.4872 177.1805 27 Q 4.0809 8.6330 120.6989 59.1951 29.3101 178.7797 28 S 4.3400 8.1457 112.3382 60.0288 63.7325 175.8325 29 A 4.2064 8.1521 123.0136 54.7599 18.5463 179.4762 30 I 3.8373 7.6395 117.6506 63.9222 37.3711 177.8686 31 N 4.3281 8.0556 118.0115 56.3803 38.7941 177.1780 32 K 4.0005 7.9930 119.3540 59.1482 31.9332 179.2567 33 A 4.0121 7.9531 120.9874 55.1509 18.0456 179.7537 34 I 3.7709 7.5268 117.3838 64.6384 37.2885 178.0486 35 H 4.3594 8.2190 116.2735 58.3525 28.6097 177.0298 36 A 4.2882 8.2382 121.2237 51.9177 18.9931 177.2901 37 G 3.9033 7.4231 105.3336 46.5176 0.0000 174.5669 38 R 4.0786 7.7977 117.5039 56.9045 29.2348 177.2190 39 K 3.3398 7.1450 117.3706 57.1711 29.8258 173.2800 40 I 4.2382 6.7319 119.6293 59.5245 39.4207 175.7622 41 F 5.0776 8.0844 126.3344 56.1135 41.8801 175.3286 42 L 4.6454 8.8075 121.9453 53.7329 44.3173 175.0945 43 T 4.6796 8.6493 124.2583 62.6701 69.7861 174.5168 44 I 4.6273 8.0666 129.3124 59.5115 37.7625 175.5022 45 N 4.6550 9.1197 124.8682 52.6425 39.1993 176.4300 46 A 4.0030 9.2979 126.0098 55.3338 18.6122 177.9578 47 D 4.4327 8.0082 114.5776 54.8585 41.0296 176.9288 48 G 3.8977 7.8358 104.9791 46.3804 0.0000 174.3093 49 S 4.6237 7.6344 113.8179 57.1054 64.1002 173.1551 50 V 4.6726 8.0879 123.8296 61.8564 34.2908 175.4023 51 Y 5.0376 8.5954 125.0966 56.9966 40.6303 172.0321 52 A 4.7160 7.9603 124.5225 51.2432 20.0136 176.2837 53 E 4.5897 8.9293 120.3851 54.6733 34.8218 173.7488 54 E 5.0299 8.4943 120.5833 54.7747 32.5322 175.7875 55 V 4.3803 8.0982 125.9812 62.3480 34.0345 173.0744 56 K 4.6702 8.5397 128.7421 53.8744 35.2225 174.0079 57 P 4.6989 0.0000 0.0000 62.2876 32.4240 174.9096 58 F 4.6912 8.3240 119.7309 55.6592 41.5261 172.1778 59 P 2.9700 0.0000 0.0000 64.1532 31.3921 177.4100 60 S 4.0759 6.8558 116.9260 57.7484 63.0021 173.9138 61 N 4.7543 7.7408 123.1984 50.6839 39.4282 174.7424 62 K 3.8266 8.8321 122.9560 57.3892 32.7879 176.8434 63 K 4.1242 8.8394 123.8899 58.4880 32.4562 177.4766 64 T 4.5093 7.5506 107.4978 59.7009 70.7850 173.0151 65 T 3.9701 8.6877 121.2997 62.2619 68.1640 173.9724 66 A 4.1315 8.7395 130.4690 52.8072 18.7645 176.2167 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 4.38 0.00 2.01 2.10 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 2.49 2.56 0.00 2 E 7.58 4.01 0.00 2.06 1.87 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 0.00 2.37 2.31 0.00 3 Q 9.22 4.37 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 4 R 8.58 4.53 0.00 1.63 1.83 0.00 3.29 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 5 I 8.31 4.69 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.08 1.08 0.00 0.00 6 T 8.58 4.43 4.45 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 0.00 0.00 0.00 1.36 0.00 0.00 7 L 8.34 4.13 0.00 1.75 1.65 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.98 4.24 0.00 2.10 2.06 0.00 1.50 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.64 7.81 9 D 7.99 4.55 0.00 2.85 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.38 0.00 2.87 2.94 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 11 A 7.79 4.15 1.37 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 0.00 0.00 12 M 7.89 4.12 0.00 2.06 2.39 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 2.72 2.73 0.00 13 R 8.21 4.13 0.00 2.19 1.67 0.00 3.15 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 14 F 8.32 4.45 0.00 2.56 2.94 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 15 G 7.54 4.12 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 0.00 0.00 0.00 16 Q 8.69 4.07 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 17 T 7.70 3.97 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 1.21 0.00 0.00 18 K 7.84 4.15 0.00 1.67 1.84 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.51 7.81 19 T 7.56 4.00 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 1.36 0.00 0.00 20 A 7.93 4.12 1.41 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 0.00 0.00 21 K 7.72 4.02 0.00 1.96 1.90 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.59 7.81 22 D 8.05 4.51 0.00 2.79 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 23 L 7.82 4.39 0.00 1.66 1.64 1.01 0.76 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 24 G 7.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 3.86 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 0.63 0.00 0.00 0.84 0.00 0.00 26 Y 6.84 4.75 0.00 3.07 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 27 Q 8.63 4.08 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 28 S 8.15 4.34 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.84 1.86 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 1.51 1.04 0.90 0.00 0.00 31 N 8.06 4.33 0.00 2.87 2.73 0.00 0.00 7.03 5.81 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 32 K 7.99 4.00 0.00 1.91 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.58 7.81 33 A 7.95 4.01 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 34 I 7.53 3.77 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 0.95 0.00 0.00 35 H 8.22 4.36 0.00 3.32 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.24 4.29 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 37 G 7.42 3.90 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 0.00 0.00 0.00 38 R 7.80 4.08 0.00 1.72 2.03 0.00 3.40 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 1.71 1.68 0.00 39 K 7.15 3.34 0.00 1.89 1.68 0.00 1.54 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.72 7.81 40 I 6.73 4.24 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.79 0.00 0.00 41 F 8.08 5.08 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.65 0.00 1.87 1.40 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.65 4.68 4.57 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 0.00 0.00 0.00 1.26 0.00 0.00 44 I 8.07 4.63 1.71 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.15 0.77 0.00 0.00 45 N 9.12 4.66 0.00 2.68 2.72 0.00 0.00 6.60 7.44 0.00 0.00 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 A 9.30 4.00 1.30 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 0.00 0.00 0.00 47 D 8.01 4.43 0.00 2.63 2.67 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 48 G 7.84 3.90 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 0.00 0.00 0.00 49 S 7.63 4.62 0.00 3.93 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.09 4.67 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 0.87 0.00 0.00 0.94 0.00 0.00 51 Y 8.60 5.04 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.72 1.17 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 53 E 8.93 4.59 0.00 1.87 1.78 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 1.64 1.47 0.00 54 E 8.49 5.03 0.00 1.84 1.73 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 2.15 2.19 0.00 55 V 8.10 4.38 2.45 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 0.74 0.00 0.00 1.29 0.00 0.00 56 K 8.54 4.67 0.00 1.73 1.64 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.47 7.81 57 P 0.00 4.70 0.00 2.26 2.11 0.00 3.81 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 2.19 1.99 0.00 58 F 8.32 4.69 0.00 2.97 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 59 P 0.00 2.97 0.00 1.69 1.13 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 60 S 6.86 4.08 0.00 3.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.74 4.75 0.00 2.79 2.75 0.00 0.00 5.96 7.12 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 62 K 8.83 3.83 0.00 1.90 1.93 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.50 7.81 63 K 8.84 4.12 0.00 1.77 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 64 T 7.55 4.51 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 65 T 8.69 3.97 4.25 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 1.22 0.00 0.00 66 A 8.74 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00