NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7038 8.4249 118.2167 52.4578 39.5412 174.3583 3 Q 4.3479 7.6740 117.5053 55.2784 29.3633 175.9168 4 G 3.7202 8.8264 111.2062 48.3091 0.0000 175.4991 5 K 4.2751 7.9376 117.7292 57.5362 32.2747 178.5231 6 I 3.5509 7.3820 120.0170 63.5036 37.5145 177.3155 7 W 5.2631 7.4126 120.0467 58.2458 28.9806 177.5321 8 T 4.2759 7.8673 108.9129 62.9211 68.6260 175.0428 9 V 4.2435 7.9895 120.3084 62.8255 34.0341 175.3928 10 V 4.4884 7.6052 118.6465 60.4090 33.4781 171.9240 11 P 4.5926 0.0000 0.0000 61.9935 29.7524 175.4282 12 P 3.4258 0.0000 0.0000 64.8444 31.3200 178.3111 13 A 4.1868 8.0078 120.8339 53.5435 19.1445 178.2322 14 F 4.9106 9.1825 112.4620 58.4798 39.3015 178.3419 15 G 3.1208 7.4394 105.5391 46.7273 0.0000 175.4869 16 L 3.9453 7.7354 122.8957 57.5969 42.2404 177.1558 17 P 4.2510 0.0000 0.0000 65.9838 30.9172 177.3501 18 L 3.8975 7.7424 119.7674 58.1169 41.9376 178.4097 19 M 3.9816 8.1290 118.1103 58.9172 32.1619 179.1654 20 L 4.1501 8.4162 119.1152 57.5676 41.6549 179.8553 21 G 3.5846 8.3174 105.6872 47.8409 0.0000 175.7091 22 A 4.0369 8.0878 123.3055 54.4618 18.2339 179.6692 23 V 3.4942 7.9276 116.8532 66.2866 31.6353 177.8345 24 A 3.9844 7.9750 120.1963 55.3862 18.1536 179.6397 25 I 3.6153 8.0870 118.2565 64.9993 37.1913 178.5106 26 T 3.8593 8.2134 116.5710 67.0550 68.3099 176.3835 27 A 4.0477 8.3664 122.5156 54.8807 18.3334 179.7948 28 L 3.9275 7.7369 117.2767 57.8578 41.7303 179.1787 29 L 3.9502 8.0394 119.0287 58.2758 41.6677 179.8089 30 V 3.7038 8.1219 117.7930 66.5720 31.3121 177.5533 31 H 4.1256 8.8033 115.7370 58.7695 28.3806 177.5990 32 A 3.9635 8.4268 122.4361 55.7014 18.6761 179.0305 33 A 3.9905 8.7354 119.7146 55.0228 18.0822 179.5855 34 V 3.5779 7.9591 115.0638 66.2635 31.3665 178.4807 35 L 4.0219 8.4534 119.6607 57.1412 41.9241 177.9537 36 T 4.5302 8.0773 107.1982 61.5974 69.1112 174.3095 37 H 4.8605 7.7983 116.3734 55.8520 30.6976 172.4550 38 T 4.6843 7.4280 108.7411 59.9863 71.5447 173.7144 39 T 4.2717 8.2678 110.5326 62.4110 70.0251 176.6952 40 W 4.5604 7.5649 119.9631 59.4496 28.5539 176.6491 41 Y 4.1508 6.1404 117.9531 61.3911 37.9091 177.6222 42 A 3.9881 7.8976 120.1567 55.1661 18.5634 179.1169 43 A 4.0237 8.4951 119.5924 55.4678 18.2244 179.2953 44 F 4.2784 8.2218 117.6297 61.8422 39.5840 177.1807 45 L 3.9317 7.6720 115.1722 56.3071 41.4252 177.2081 46 Q 4.1791 8.0382 123.4747 55.8867 28.8744 175.2913 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 2 N 8.42 4.70 0.00 2.83 3.00 0.00 0.00 5.92 6.50 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 3 Q 7.67 4.35 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 4 G 8.83 3.72 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 0.00 0.00 0.00 5 K 7.94 4.28 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.36 7.81 6 I 7.38 3.55 1.59 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.32 -0.27 0.00 0.00 7 W 7.41 5.26 0.00 3.34 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 8 T 7.87 4.28 4.29 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 1.28 0.00 0.00 9 V 7.99 4.24 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 0.79 0.00 0.00 0.93 0.00 0.00 10 V 7.61 4.49 2.18 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 1.30 0.00 0.00 1.01 0.00 0.00 11 P 0.00 4.59 0.00 2.55 2.16 0.00 4.03 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 12 P 0.00 3.43 0.00 1.64 1.05 0.00 3.80 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 13 A 8.01 4.19 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 14 F 9.18 4.91 0.00 3.27 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 15 G 7.44 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 0.00 0.00 0.00 16 L 7.74 3.95 0.00 1.55 1.50 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.38 2.30 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 18 L 7.74 3.90 0.00 1.85 1.71 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.13 3.98 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.64 0.00 20 L 8.42 4.15 0.00 1.65 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.32 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.04 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 23 V 7.93 3.49 2.25 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 1.09 0.00 0.00 0.98 0.00 0.00 24 A 7.97 3.98 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 25 I 8.09 3.62 2.03 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 1.55 0.44 0.92 0.00 0.00 26 T 8.21 3.86 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 1.22 0.00 0.00 27 A 8.37 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.93 0.00 1.85 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.04 3.95 0.00 1.88 1.75 0.93 0.68 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 30 V 8.12 3.70 2.13 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 1.03 0.00 0.00 0.99 0.00 0.00 31 H 8.80 4.13 0.00 3.51 3.51 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.43 3.96 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 33 A 8.74 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.58 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 0.65 0.00 0.00 0.91 0.00 0.00 35 L 8.45 4.02 0.00 1.46 1.77 -0.22 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.08 4.53 4.17 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 1.24 0.00 0.00 37 H 7.80 4.86 0.00 3.03 3.28 0.00 5.83 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.43 4.68 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 39 T 8.27 4.27 4.29 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 1.25 0.00 0.00 40 W 7.56 4.56 0.00 3.63 3.45 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 0.00 41 Y 6.14 4.15 0.00 1.87 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 3.99 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 43 A 8.50 4.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.22 4.28 0.00 3.36 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.67 3.93 0.00 1.71 1.65 0.75 0.96 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 46 Q 8.04 4.18 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00