NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0907 8.3881 120.0883 54.7497 35.1197 174.5168 2 Q 5.0174 7.9105 116.2358 54.0350 31.2835 173.0892 3 Y 4.9112 8.8909 119.6938 55.9868 43.3555 175.1683 4 K 4.8426 8.6350 119.4984 54.6334 35.7215 174.6975 5 L 4.8093 8.3476 127.2033 53.5545 44.5735 175.2546 6 I 4.8481 9.1860 129.4379 58.8466 38.7457 174.9976 7 L 4.8530 8.4379 128.6318 53.9164 42.9081 174.9141 8 N 5.0381 9.5200 124.9611 51.2226 40.3791 175.6521 9 G 4.3269 10.3462 119.6793 45.7195 0.0000 174.7393 10 K 3.8751 8.1780 124.1179 57.5779 30.9914 177.4006 11 T 4.4978 7.7183 103.5091 60.9611 69.5102 173.4482 12 L 4.8000 7.7452 124.6476 53.1068 44.8745 174.9031 13 K 4.8645 8.4682 124.0098 55.3196 35.7173 175.6598 14 G 4.3924 8.2619 108.7095 45.1835 0.0000 171.7072 15 E 5.1801 8.7659 120.8817 54.6609 32.0757 174.7285 16 T 4.8931 8.2716 115.8646 60.8289 71.7329 172.1674 17 T 5.0903 8.4174 114.4641 60.1397 71.6315 173.2285 18 T 4.7310 8.3732 112.3273 60.2762 72.8249 172.5124 19 E 5.0577 8.9246 123.2432 55.0232 31.0139 174.7143 20 A 4.8648 8.9470 125.8013 50.2818 23.2738 176.0112 21 V 4.4398 8.2120 114.8444 62.8452 32.6814 175.8146 22 D 4.7261 7.5492 117.4118 51.1477 39.1484 175.5046 23 A 3.5726 7.9470 128.3384 55.5552 18.3711 178.9454 24 A 3.8782 7.8427 119.2080 55.5152 18.4582 179.8561 25 T 3.8377 7.7507 107.4877 64.8541 69.1833 176.6872 26 A 3.9740 8.1638 124.2458 54.7700 18.4001 179.3474 27 E 3.7596 8.7055 117.9978 59.3693 29.5200 179.6635 28 K 3.9027 7.7509 119.3053 59.4907 32.3449 179.1011 29 V 3.5942 7.9485 118.6634 66.0171 31.3611 177.7993 30 F 3.8401 8.7751 120.8660 60.9023 39.0907 177.3191 31 K 4.0498 8.1915 118.3176 59.6771 31.9381 179.1756 32 Q 3.8934 8.0198 119.6607 59.1104 28.8894 177.6416 33 Y 3.6173 8.2035 120.5690 60.3695 38.7822 177.4906 34 A 4.1519 8.8967 122.4508 55.2832 18.5841 178.9932 35 N 4.6215 8.4663 117.2026 56.5048 38.7965 176.5887 36 D 4.3341 7.8887 118.0656 56.8275 41.3558 176.9772 37 N 4.7485 7.8833 114.7583 53.2434 38.8293 175.6092 38 G 3.8310 8.1302 108.9434 45.4993 0.0000 173.6529 39 V 4.1719 8.6122 121.0377 61.2196 31.7495 174.6347 40 D 5.4206 9.5833 126.2203 51.9538 45.1939 175.4859 41 G 3.9297 7.4604 106.2889 45.0869 0.0000 172.2395 42 E 3.3777 7.8157 122.9480 54.0093 31.0423 174.9672 43 W 5.2955 7.8326 123.2289 54.7236 31.3396 175.2485 44 T 3.6669 7.7343 109.9007 60.6627 70.8098 172.6175 45 Y 3.4863 7.0580 119.7832 54.9979 38.6186 174.6839 46 D 4.6971 7.5466 126.4251 53.1075 41.8791 177.3134 47 D 4.5264 8.7262 123.5199 56.0055 42.0081 177.3046 48 A 4.1758 8.0554 121.2015 54.2059 18.8291 177.7901 49 T 4.4042 7.7647 103.3316 61.3278 69.5869 174.6219 50 K 4.8232 7.4058 119.2928 56.8612 28.7765 173.2323 51 T 5.0304 7.8664 114.6434 60.4218 70.5736 172.5071 52 F 5.0610 9.4081 125.8435 55.9479 42.2202 174.7006 53 T 5.2105 8.2418 110.8342 60.0928 72.5369 172.7228 54 V 5.1176 8.8766 123.3767 60.4721 35.2435 174.0017 55 T 4.6254 8.1154 123.7231 61.2202 71.6049 173.6097 56 E 4.4276 8.3992 126.4601 55.8977 29.2584 176.4736 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 8.39 5.09 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 2 Q 7.91 5.02 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.73 0.00 0.00 0.00 0.00 0.00 2.08 2.31 0.00 3 Y 8.89 4.91 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.64 4.84 0.00 1.88 1.66 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.35 7.81 5 L 8.35 4.81 0.00 1.38 1.22 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 6 I 9.19 4.85 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.09 0.92 0.00 0.00 7 L 8.44 4.85 0.00 1.80 1.88 1.03 0.40 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 8 N 9.52 5.04 0.00 2.78 2.71 0.00 0.00 6.63 7.82 0.00 0.00 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 G 10.35 4.33 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 0.00 10 K 8.18 3.88 0.00 2.11 1.93 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.34 7.81 11 T 7.72 4.50 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 12 L 7.75 4.80 0.00 1.60 1.51 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.47 4.86 0.00 1.74 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.36 7.81 14 G 8.26 4.39 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 0.00 15 E 8.77 5.18 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 16 T 8.27 4.89 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 1.15 0.00 0.00 17 T 8.42 5.09 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 18 T 8.37 4.73 4.28 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 1.23 0.00 0.00 19 E 8.92 5.06 0.00 1.85 1.95 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 2.23 2.36 0.00 20 A 8.95 4.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 4.44 2.10 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 0.83 0.00 0.00 0.95 0.00 0.00 22 D 7.55 4.73 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.57 0.54 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 0.00 0.00 0.00 24 A 7.84 3.88 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 25 T 7.75 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 26 A 8.16 3.97 1.34 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 0.00 0.00 0.00 27 E 8.71 3.76 0.00 1.94 1.91 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 1.47 1.92 0.00 28 K 7.75 3.90 0.00 1.93 1.78 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.57 7.81 29 V 7.95 3.59 2.27 0.00 0.00 0.00 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 0.96 0.00 0.00 30 F 8.78 3.84 0.00 3.32 2.97 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 0.00 31 K 8.19 4.05 0.00 2.06 1.66 0.00 1.48 0.00 0.00 1.32 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 1.51 7.81 32 Q 8.02 3.89 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 33 Y 8.20 3.62 0.00 3.17 2.66 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 34 A 8.90 4.15 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.47 4.62 0.00 2.94 2.83 0.00 0.00 6.43 9.28 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 36 D 7.89 4.33 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 37 N 7.88 4.75 0.00 3.10 2.94 0.00 0.00 7.36 7.84 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 38 G 8.13 3.83 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 0.00 0.00 0.00 39 V 8.61 4.17 2.23 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 1.07 0.00 0.00 1.05 0.00 0.00 40 D 9.58 5.42 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 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 0.00 0.00 0.00 42 E 7.82 3.38 0.00 1.73 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 0.00 2.10 2.06 0.00 43 W 7.83 5.30 0.00 3.34 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 44 T 7.73 3.67 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 1.03 0.00 0.00 45 Y 7.06 3.49 0.00 3.04 3.25 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 46 D 7.55 4.70 0.00 3.13 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.53 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.18 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 49 T 7.76 4.40 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 1.21 0.00 0.00 50 K 7.41 4.82 0.00 1.72 1.80 0.00 1.75 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.33 7.81 51 T 7.87 5.03 4.48 0.00 0.00 0.00 0.00 0.00 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 52 F 9.41 5.06 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 5.21 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 54 V 8.88 5.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.18 0.00 0.00 55 T 8.12 4.63 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 1.14 0.00 0.00 56 E 8.40 4.43 0.00 2.09 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 2.30 2.10 0.00