NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7215 8.0501 120.3637 62.7209 32.3300 174.5315 2 A 4.2393 7.3786 134.3960 49.7481 20.5216 174.2900 3 Y 4.4161 7.9214 110.7009 58.9887 40.1955 176.2661 4 W 4.2341 6.7577 117.5886 58.8070 28.7596 176.6319 5 R 4.0805 6.5424 117.6654 57.0284 30.0359 175.0753 6 Q 4.1507 8.9359 122.3616 56.1868 28.5884 174.0601 7 A 4.1460 6.9987 120.2924 52.8133 18.7175 177.9549 8 G 4.1470 8.3865 102.5608 45.1262 0.0000 173.4430 9 L 4.6694 7.7945 119.9330 53.2770 43.4242 177.0672 10 S 4.9059 8.2815 117.5397 57.2437 66.4265 174.6950 11 Y 3.8039 8.6523 121.9185 60.6678 38.4086 177.9928 12 I 3.6754 7.7869 120.6135 64.2968 37.1942 178.1604 13 R 3.8957 7.5779 119.1658 59.0370 29.8998 178.0442 14 Y 3.4871 7.5317 119.7054 60.5723 38.6919 177.8964 15 S 3.7652 7.9933 114.1948 60.7341 62.4573 175.9591 16 Q 3.8008 7.7744 122.6426 59.2835 28.8983 178.2270 17 I 3.6809 7.0640 120.3488 64.2568 36.0214 177.9772 18 C 3.7532 7.5541 117.3213 62.9311 27.9222 176.1695 19 A 4.2420 7.6876 121.5947 54.5906 18.0281 179.5575 20 K 3.8021 7.7694 117.8280 59.6767 32.4755 178.8062 21 A 4.0969 7.9178 120.2695 54.3264 18.0570 179.6600 22 V 3.6697 6.8973 116.9665 65.8709 31.4953 178.0674 23 R 4.0632 8.0126 117.9821 59.3639 29.6868 178.7912 24 D 4.3756 7.9250 117.4047 56.8551 40.8977 177.9305 25 A 4.2190 7.3901 118.2315 52.3254 19.0762 177.8015 26 L 4.0978 6.9294 117.4353 54.4179 42.3613 177.0714 27 K 4.4868 8.2982 120.6180 55.9822 34.3528 176.7865 28 T 4.5209 8.0631 117.2873 62.5042 66.2300 172.9080 29 E 4.6478 7.9181 122.2019 56.3911 35.9850 175.6566 30 F 4.8052 8.0753 115.8665 56.8773 40.1264 176.7313 31 K 4.0602 8.0924 123.5758 58.5883 32.6379 178.8052 32 A 4.0806 7.9928 121.6876 55.2274 18.7338 179.1011 33 N 4.4899 8.0636 112.7937 55.8504 38.2503 177.3482 34 A 4.0966 7.5664 121.4694 55.0301 18.5010 179.1412 35 M 4.1878 7.4975 116.0830 58.1730 32.1856 178.6731 36 K 4.1230 7.9875 117.5205 59.6136 32.6390 177.2162 37 T 4.3127 7.8396 114.6396 63.0130 70.7130 174.3459 38 S 3.6243 8.4268 112.5601 59.7261 60.9463 171.7773 39 G 4.0263 7.6812 112.0541 45.8799 0.0000 171.9846 40 S 4.6945 8.0607 116.2431 57.5110 63.1235 175.7836 41 T 4.0283 8.1650 119.8611 67.4176 68.7043 175.9234 42 I 3.7249 7.6663 121.0359 61.5708 37.6066 174.9136 43 K 4.5699 8.4092 124.4806 54.5530 34.3837 175.0930 44 I 4.3391 8.1750 125.2931 59.5981 38.4084 175.2427 45 V 4.3345 8.3039 125.1866 60.7043 33.4595 175.2513 46 K 4.3404 8.3389 125.9303 55.6718 33.3232 176.1707 47 V 3.8670 8.2249 123.5576 63.0917 31.4635 175.6407 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 V 8.05 3.72 1.97 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 0.81 0.00 0.00 0.83 0.00 0.00 2 A 7.38 4.24 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.42 0.00 3.27 3.23 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 4 W 6.76 4.23 0.00 3.55 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 5 R 6.54 4.08 0.00 1.26 1.63 0.00 3.23 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.91 0.00 6 Q 8.94 4.15 0.00 2.06 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 7 A 7.00 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 4.15 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 0.00 9 L 7.79 4.67 0.00 2.09 1.79 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.28 4.91 0.00 4.16 4.09 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 11 Y 8.65 3.80 0.00 3.24 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.68 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.90 0.00 0.00 13 R 7.58 3.90 0.00 1.75 2.06 0.00 3.09 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 14 Y 7.53 3.49 0.00 1.87 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 0.00 0.00 0.00 0.00 15 S 7.99 3.77 0.00 3.34 3.70 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 16 Q 7.77 3.80 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 17 I 7.06 3.68 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.79 0.00 0.00 18 C 7.55 3.75 0.00 2.84 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 19 A 7.69 4.24 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 20 K 7.77 3.80 0.00 1.97 1.88 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 21 A 7.92 4.10 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 6.90 3.67 2.19 0.00 0.00 0.00 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 0.96 0.00 0.00 23 R 8.01 4.06 0.00 2.08 1.95 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 24 D 7.93 4.38 0.00 2.66 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 25 A 7.39 4.22 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 26 L 6.93 4.10 0.00 1.77 1.67 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.30 4.49 0.00 1.97 1.96 0.00 1.55 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.56 7.81 28 T 8.06 4.52 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 1.20 0.00 0.00 29 E 7.92 4.65 0.00 1.86 1.85 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 1.78 2.15 0.00 30 F 8.08 4.81 0.00 3.02 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 8.09 4.06 0.00 1.86 1.81 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.50 7.81 32 A 7.99 4.08 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 33 N 8.06 4.49 0.00 3.01 2.93 0.00 0.00 6.82 7.11 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 34 A 7.57 4.10 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 35 M 7.50 4.19 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 36 K 7.99 4.12 0.00 1.91 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 37 T 7.84 4.31 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 1.20 0.00 0.00 38 S 8.43 3.62 0.00 4.07 3.92 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 39 G 7.68 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.06 4.69 0.00 3.92 3.87 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 0.00 0.00 0.00 41 T 8.17 4.03 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 42 I 7.67 3.72 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 0.73 0.91 0.00 0.00 43 K 8.41 4.57 0.00 1.66 1.66 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.48 7.81 44 I 8.18 4.34 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 1.00 0.91 0.00 0.00 45 V 8.30 4.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 46 K 8.34 4.34 0.00 1.84 1.77 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.42 7.81 47 V 8.22 3.87 2.08 0.00 0.00 0.00 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