NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3520 8.2993 120.1433 55.9597 33.7100 175.4228 2 S 4.2491 8.2449 114.7305 57.1560 65.0176 172.4147 3 P 4.3878 0.0000 0.0000 66.1901 31.4207 179.6028 4 E 3.9444 8.3260 116.4914 59.6727 29.4348 179.3150 5 E 4.0220 7.7778 117.8404 59.4864 29.5944 179.3037 6 L 4.4015 8.4234 119.4048 57.8904 41.7427 179.3592 7 K 3.1928 8.8158 119.8984 59.2024 31.9812 178.5696 8 G 3.8478 8.3480 106.0986 48.1898 0.0000 175.1800 9 I 3.8068 8.3707 123.0497 63.9406 37.2362 177.8642 10 F 3.8682 8.7798 121.6429 61.7927 39.0900 177.0753 11 E 3.9248 8.9301 118.1003 59.2181 29.0237 179.0303 12 K 3.6393 8.0076 119.0032 59.7949 32.1573 177.5547 13 Y 4.0962 7.3494 113.2865 59.9591 38.3978 177.5681 14 A 3.9203 8.1080 121.8160 53.9618 19.4189 177.7001 15 A 4.7344 8.1703 121.9068 50.6230 18.4625 176.5148 16 K 4.1633 7.9413 123.1888 56.1217 32.2425 179.1688 17 E 4.5449 8.8763 115.3746 55.6297 33.9881 173.8094 18 G 4.1222 9.2347 112.5337 45.6114 0.0000 173.4527 19 D 4.6569 7.5283 118.7843 51.2046 43.8485 173.5419 20 P 4.7400 0.0000 0.0000 63.5159 31.9751 176.2844 21 N 5.1675 8.9473 117.3183 53.0591 39.8843 174.0610 22 Q 5.0370 8.0291 116.0252 54.3790 33.4890 174.3487 23 L 4.4581 9.2330 125.3596 53.8192 43.0272 177.1455 24 S 4.6923 8.7256 119.4311 57.7778 64.3510 175.3131 25 K 3.7900 8.5564 118.9841 60.2830 31.7293 178.6126 26 E 3.9002 8.0222 119.2003 59.3284 29.5310 179.2321 27 E 4.0846 8.4705 118.6091 58.9506 29.4344 179.1830 28 L 3.9066 8.5527 120.9440 58.0083 42.2482 178.6837 29 K 3.8391 8.3911 119.9142 59.5611 32.0644 178.1674 30 L 3.8983 8.2321 120.6667 58.0901 42.0057 178.3956 31 L 2.4400 8.0103 120.3880 57.6141 41.8373 178.5741 32 L 4.1237 8.1885 120.2623 58.3713 41.8853 178.6973 33 Q 3.9482 8.2355 118.2819 59.4436 29.0829 178.1783 34 T 4.0525 7.9241 115.7303 66.5598 68.8478 176.2724 35 E 3.9373 7.9407 119.5329 57.1350 30.6885 176.1353 36 F 5.1773 8.0471 117.4937 55.8831 39.8801 174.6760 37 P 4.2971 0.0000 0.0000 65.7468 31.6647 178.2395 38 S 4.3057 8.2198 112.4949 60.3134 63.2572 174.0561 39 L 4.8674 7.8060 120.7111 54.1503 42.5088 178.2084 40 L 4.4063 7.7643 117.2988 54.9326 40.2990 179.4554 41 K 4.4772 7.6457 122.6804 55.9709 32.2408 177.2774 42 G 4.3149 7.2336 113.9808 45.4133 0.0000 172.4210 43 G 3.8353 9.2680 118.7702 44.9238 0.0000 173.6627 44 S 4.4335 8.7063 113.0158 56.5992 63.4655 173.9605 45 T 4.1844 6.7389 114.2068 62.6120 69.7999 171.5377 46 L 4.8953 7.7467 119.7891 54.8399 41.7476 177.8295 47 D 4.4177 8.6598 121.3337 58.1468 40.6765 178.4050 48 E 3.9824 8.2232 118.3153 59.3728 29.4396 178.8939 49 L 3.9045 7.9913 119.6726 58.2087 42.1298 178.3702 50 F 3.6281 8.6557 120.6765 61.4731 39.0857 176.8139 51 E 4.0485 8.4631 116.9360 59.4625 29.3475 178.6911 52 E 4.0331 8.3304 118.6189 59.1938 29.7415 178.7630 53 L 4.0285 7.6299 118.0300 57.2500 43.2361 178.6208 54 D 4.8158 7.6476 118.1982 53.1243 37.6833 176.0340 55 K 4.5770 7.1642 118.9015 55.6364 33.3336 176.4080 56 N 4.4459 7.3570 121.8757 54.8325 45.7800 176.6545 57 G 4.1470 8.5013 105.4441 45.1411 0.0000 172.7133 58 D 4.2354 9.0934 115.6928 55.0335 39.6608 173.8167 59 G 4.1414 9.4208 103.7892 46.0414 0.0000 171.1891 60 E 5.1208 8.4687 118.9538 55.0025 34.7517 173.8197 61 V 4.8167 8.7325 120.1873 60.5646 33.9858 176.0873 62 S 5.0263 8.7415 124.2073 58.2271 64.2079 175.4760 63 F 2.6870 8.8119 122.4624 61.0657 38.9035 176.4251 64 E 3.3453 7.9064 118.2494 59.2546 28.9788 178.2068 65 E 3.7980 7.9724 118.4992 59.1820 29.6765 178.3478 66 F 4.1899 8.4385 120.9554 61.3428 39.5202 176.7852 67 Q 3.3421 7.8840 119.3872 58.8509 28.6357 178.2953 68 V 3.3528 7.7672 119.5766 65.8122 31.4866 177.4383 69 L 3.7470 7.7461 120.2106 58.3179 41.8460 179.0119 70 V 3.2082 7.3413 118.1978 65.6808 31.2473 177.6076 71 K 3.6807 8.1112 119.5866 59.4015 31.7466 178.4012 72 K 3.7792 7.8928 118.4451 59.6068 32.2034 178.1396 73 I 3.7755 7.6818 118.8481 64.6800 37.1281 178.2371 74 S 4.2111 8.0455 114.5423 61.6503 62.7868 175.0548 75 Q 4.2497 8.1881 124.1039 56.1492 28.6328 175.9215 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 K 8.30 4.35 0.00 1.89 1.94 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.54 7.81 2 S 8.24 4.25 0.00 4.36 4.02 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 3 P 0.00 4.39 0.00 2.26 2.33 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 4 E 8.33 3.94 0.00 2.08 2.03 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 2.43 2.50 0.00 5 E 7.78 4.02 0.00 2.06 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 0.00 2.38 2.55 0.00 6 L 8.42 4.40 0.00 2.16 2.18 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.82 3.19 0.00 1.09 1.80 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 0.57 7.81 8 G 8.35 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.37 3.81 2.37 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.35 1.18 0.00 0.00 10 F 8.78 3.87 0.00 3.16 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 3.92 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 12 K 8.01 3.64 0.00 1.76 1.98 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.83 1.27 7.81 13 Y 7.35 4.10 0.00 2.80 2.88 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 0.00 0.00 0.00 14 A 8.11 3.92 0.76 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 0.00 0.00 15 A 8.17 4.73 1.23 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 0.00 0.00 16 K 7.94 4.16 0.00 1.81 1.36 0.00 1.47 0.00 0.00 1.69 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.66 7.81 17 E 8.88 4.54 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 18 G 9.23 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 19 D 7.53 4.66 0.00 2.62 2.55 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 20 P 0.00 4.74 0.00 2.27 2.27 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 21 N 8.95 5.17 0.00 2.75 3.02 0.00 0.00 6.77 7.99 0.00 0.00 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 Q 8.03 5.04 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 7.38 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 23 L 9.23 4.46 0.00 1.69 1.71 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.73 4.69 0.00 4.00 4.04 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 K 8.56 3.79 0.00 1.67 1.15 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.13 7.81 26 E 8.02 3.90 0.00 2.05 2.03 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 2.37 2.43 0.00 27 E 8.47 4.08 0.00 2.13 1.98 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 2.38 2.41 0.00 28 L 8.55 3.91 0.00 1.91 2.06 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.39 3.84 0.00 1.90 2.00 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.62 7.81 30 L 8.23 3.90 0.00 1.91 1.89 0.98 0.53 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 31 L 8.01 2.44 0.00 1.06 1.62 0.55 0.77 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 32 L 8.19 4.12 0.00 1.97 1.82 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.24 3.95 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 34 T 7.92 4.05 4.31 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 1.30 0.00 0.00 35 E 7.94 3.94 0.00 1.36 1.12 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 2.22 2.38 0.00 36 F 8.05 5.18 0.00 3.23 2.93 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 37 P 0.00 4.30 0.00 2.20 2.35 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 38 S 8.22 4.31 0.00 4.06 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 0.00 39 L 7.81 4.87 0.00 1.65 1.63 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.76 4.41 0.00 1.66 1.68 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.65 4.48 0.00 1.73 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.34 7.81 42 G 7.23 4.31 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 0.00 43 G 9.27 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 0.00 0.00 0.00 44 S 8.71 4.43 0.00 4.00 3.97 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 45 T 6.74 4.18 4.26 0.00 0.00 0.00 0.00 0.00 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 46 L 7.75 4.90 0.00 1.93 1.83 1.00 0.78 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 47 D 8.66 4.42 0.00 2.75 2.81 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 0.00 0.00 0.00 0.00 48 E 8.22 3.98 0.00 2.00 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 2.34 0.00 49 L 7.99 3.90 0.00 1.78 1.92 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.66 3.63 0.00 3.28 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 51 E 8.46 4.05 0.00 2.14 2.05 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 2.69 2.55 0.00 52 E 8.33 4.03 0.00 2.00 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 0.00 2.27 2.32 0.00 53 L 7.63 4.03 0.00 1.43 1.68 0.87 1.17 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 54 D 7.65 4.82 0.00 1.90 2.36 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 55 K 7.16 4.58 0.00 1.72 1.75 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.50 7.81 56 N 7.36 4.45 0.00 2.54 2.75 0.00 0.00 7.59 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.50 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 58 D 9.09 4.24 0.00 2.75 2.68 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 59 G 9.42 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 0.00 0.00 0.00 0.00 60 E 8.47 5.12 0.00 2.12 2.05 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 2.31 2.34 0.00 61 V 8.73 4.82 2.32 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 1.55 0.00 0.00 1.05 0.00 0.00 62 S 8.74 5.03 0.00 3.85 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 63 F 8.81 2.69 0.00 2.40 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.91 3.35 0.00 1.93 1.82 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 2.22 2.21 0.00 65 E 7.97 3.80 0.00 2.03 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 0.00 2.31 2.30 0.00 66 F 8.44 4.19 0.00 3.45 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 67 Q 7.88 3.34 0.00 1.11 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.50 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 68 V 7.77 3.35 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 0.85 0.00 0.00 0.81 0.00 0.00 69 L 7.75 3.75 0.00 1.68 1.64 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.34 3.21 1.74 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 0.66 0.00 0.00 -0.01 0.00 0.00 71 K 8.11 3.68 0.00 1.88 1.74 0.00 1.50 0.00 0.00 1.47 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.41 7.81 72 K 7.89 3.78 0.00 1.75 1.88 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 73 I 7.68 3.78 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.80 0.00 0.00 74 S 8.05 4.21 0.00 3.87 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 75 Q 8.19 4.25 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00