NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3861 8.2644 123.5841 52.1968 19.5748 175.5571 3 R 4.3046 7.5720 120.1090 55.5378 33.5735 175.5231 4 K 3.9015 8.5942 120.6690 59.5989 33.2704 177.5843 5 A 4.4517 7.9963 116.8895 52.8261 18.3105 177.9788 6 L 4.6604 7.7528 119.1922 56.1880 42.6912 178.2988 7 I 4.0508 7.4650 111.1289 62.3445 37.5777 176.7484 8 E 4.5010 7.9977 118.8145 56.1373 29.9815 175.6676 9 K 4.4518 8.0009 118.8876 55.8616 33.8428 176.0770 10 A 4.4010 7.7093 118.7989 52.8336 20.8966 177.4897 11 K 4.0457 7.5392 116.4369 58.3815 32.9259 177.2134 12 R 4.5507 7.1491 113.4255 56.1481 28.8519 176.0099 13 T 3.8381 7.2828 115.0180 63.2953 68.0655 172.4582 14 P 4.6290 0.0000 0.0000 61.7215 32.9155 175.7286 15 K 3.2878 8.4999 116.1414 58.3186 32.2500 176.6129 16 F 4.0597 7.9675 122.8820 56.9365 38.4739 174.8606 17 K 4.3892 8.5572 118.8982 59.1488 33.5158 179.2981 18 V 3.6679 7.9004 111.8929 63.9074 31.5130 176.4572 19 R 4.6229 8.0344 117.0655 56.8342 30.1266 176.2819 20 A 4.6321 7.7150 119.5232 51.5966 19.5234 177.0311 21 Y 4.2173 8.3041 116.7191 58.4561 38.3386 176.4834 22 T 3.9094 8.3308 111.7446 62.4545 68.8475 172.7773 23 R 4.7415 7.9223 114.6634 56.1754 32.5232 173.5490 24 C 4.3356 8.9590 126.0793 59.8980 32.0899 173.5403 25 V 3.8518 8.0052 125.3704 65.0961 31.1240 177.2347 26 R 4.2037 7.5681 118.5824 58.6018 30.3981 177.5298 27 C 4.1855 7.5235 114.0337 60.7930 30.4197 173.1744 28 G 3.3473 8.4721 109.6307 43.8353 0.0000 173.2079 29 R 4.0215 8.0890 121.6600 56.5546 30.4179 176.3442 30 A 4.7363 8.5034 120.9556 51.8240 21.2082 176.6230 31 R 4.6343 7.6553 112.7391 55.3843 33.3237 174.8401 32 S 3.5204 8.5325 111.7762 59.8545 60.5148 172.0184 33 V 4.7690 7.5918 112.5598 59.0115 32.1908 175.1980 34 Y 4.3811 8.7919 123.4667 58.2226 37.2383 176.6590 35 R 4.6650 8.6714 113.6432 56.7428 31.4426 177.5762 36 F 4.2496 8.6775 119.6668 59.9575 39.4814 175.3560 37 F 4.4895 8.4755 117.2833 56.1927 41.0240 176.8712 38 G 4.1251 8.0451 108.4700 45.6688 0.0000 172.7314 39 L 4.9360 7.4988 119.0089 52.3755 44.9576 175.7375 40 C 4.8486 8.2683 115.2679 57.4338 31.0178 174.4587 41 R 4.3146 8.5228 116.2592 59.1834 29.1998 177.9603 42 I 4.0121 7.7392 121.1916 63.7283 37.5504 177.2399 43 C 4.5190 8.2922 118.5317 62.2923 28.2064 176.1036 44 L 4.1288 7.6574 119.0705 58.0207 39.8177 179.3280 45 R 3.8787 8.0142 119.7111 59.2341 30.3632 177.9253 46 E 4.0478 8.1555 117.5877 59.6299 29.4460 179.3587 47 L 3.9396 7.5614 117.4593 57.9330 41.6288 179.3784 48 A 3.9651 7.7212 119.0667 55.0668 18.3118 178.4021 49 H 4.5323 7.8121 113.2387 57.6692 29.6664 177.3831 50 K 4.1928 8.1298 119.7449 57.5952 32.1700 178.2775 51 G 4.0453 8.2567 106.6492 45.2737 0.0000 174.9328 52 Q 4.4413 7.7329 116.2513 55.9965 27.9840 176.9947 53 L 4.7392 8.1258 119.8837 51.8695 43.1644 173.4566 54 P 4.1360 0.0000 0.0000 63.9137 31.9424 176.3290 55 G 3.9131 8.8057 108.9858 46.7507 0.0000 173.6635 56 V 4.3103 7.9587 118.4487 60.6328 33.6166 174.1762 57 R 4.6160 8.2639 125.9723 53.7818 33.1858 175.3183 58 K 4.0877 8.4103 121.9805 55.6341 30.5327 175.9710 59 A 4.1737 8.2538 127.8834 52.6950 18.8301 178.0507 60 S 4.3835 8.3256 111.8821 57.6175 63.4340 175.6129 61 W 4.4677 8.1401 123.4594 56.7581 28.0247 175.7741 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 A 8.26 4.39 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 3 R 7.57 4.30 0.00 1.89 1.86 0.00 3.20 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 4 K 8.59 3.90 0.00 1.89 1.79 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 5 A 8.00 4.45 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 6 L 7.75 4.66 0.00 1.82 1.82 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.47 4.05 1.88 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 1.68 0.80 0.99 0.00 0.00 8 E 8.00 4.50 0.00 1.97 2.02 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 2.43 2.29 0.00 9 K 8.00 4.45 0.00 1.89 2.02 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.40 7.81 10 A 7.71 4.40 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.54 4.05 0.00 1.94 1.82 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.50 7.81 12 R 7.15 4.55 0.00 1.89 1.88 0.00 3.12 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 1.60 1.59 0.00 13 T 7.28 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 1.22 0.00 0.00 14 P 0.00 4.63 0.00 2.19 2.04 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 15 K 8.50 3.29 0.00 1.70 1.09 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.26 1.41 7.81 16 F 7.97 4.06 0.00 3.28 3.11 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 0.00 0.00 0.00 0.00 17 K 8.56 4.39 0.00 1.97 2.09 0.00 1.58 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.50 7.81 18 V 7.90 3.67 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 0.75 0.00 0.00 0.95 0.00 0.00 19 R 8.03 4.62 0.00 1.95 2.11 0.00 3.38 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 20 A 7.71 4.63 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 21 Y 8.30 4.22 0.00 3.13 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 22 T 8.33 3.91 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 23 R 7.92 4.74 0.00 1.62 1.75 0.00 3.21 0.00 0.00 4.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 24 C 8.96 4.34 0.00 3.03 3.04 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 25 V 8.01 3.85 2.12 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 0.84 0.00 0.00 1.02 0.00 0.00 26 R 7.57 4.20 0.00 1.87 1.92 0.00 3.29 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 27 C 7.52 4.19 0.00 3.10 3.03 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 28 G 8.47 3.35 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 0.00 29 R 8.09 4.02 0.00 1.94 1.90 0.00 3.19 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 30 A 8.50 4.74 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 31 R 7.66 4.63 0.00 1.77 1.80 0.00 3.34 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 32 S 8.53 3.52 0.00 3.99 3.89 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 0.00 0.00 0.00 33 V 7.59 4.77 2.17 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 0.99 0.00 0.00 1.00 0.00 0.00 34 Y 8.79 4.38 0.00 3.08 3.17 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 35 R 8.67 4.67 0.00 2.01 2.21 0.00 3.05 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 36 F 8.68 4.25 0.00 3.16 3.24 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 37 F 8.48 4.49 0.00 3.10 3.06 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 0.00 0.00 0.00 0.00 38 G 8.05 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.50 4.94 0.00 1.78 1.62 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.27 4.85 0.00 3.16 3.15 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 41 R 8.52 4.31 0.00 2.09 2.24 0.00 3.14 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 42 I 7.74 4.01 1.89 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 0.87 0.98 0.00 0.00 43 C 8.29 4.52 0.00 2.99 3.03 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 44 L 7.66 4.13 0.00 1.58 1.83 0.58 0.35 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 45 R 8.01 3.88 0.00 2.09 2.00 0.00 3.19 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 46 E 8.16 4.05 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 47 L 7.56 3.94 0.00 1.97 1.76 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.72 3.97 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 49 H 7.81 4.53 0.00 3.31 3.38 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.13 4.19 0.00 1.74 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.70 7.81 51 G 8.26 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 52 Q 7.73 4.44 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 53 L 8.13 4.74 0.00 1.65 1.88 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.14 0.00 2.04 2.04 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 55 G 8.81 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 56 V 7.96 4.31 2.28 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 0.83 0.00 0.00 1.21 0.00 0.00 57 R 8.26 4.62 0.00 1.77 1.76 0.00 3.31 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 58 K 8.41 4.09 0.00 1.73 1.75 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 59 A 8.25 4.17 1.53 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 0.00 0.00 0.00 60 S 8.33 4.38 0.00 3.91 3.84 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 0.00 0.00 0.00 0.00 61 W 8.14 4.47 0.00 3.38 3.17 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