NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8507 8.3393 109.7362 46.0785 0.0000 173.7256 2 S 4.1428 7.9939 117.1939 55.6241 63.8235 173.3381 3 S 4.6524 8.9241 119.1323 55.7831 67.0905 174.6351 4 G 4.5822 8.0716 113.5334 45.6049 0.0000 172.4667 5 S 4.6424 8.3902 119.3939 56.8344 65.8306 173.6692 6 S 4.8011 8.0311 117.3814 56.7669 65.3416 174.2554 7 G 4.1214 7.8816 105.0760 45.1779 0.0000 171.3392 8 R 4.4683 8.2395 119.3439 54.9503 31.5507 175.5655 9 T 4.5900 8.3131 119.0867 61.7420 71.7483 173.4854 10 H 4.6839 8.6001 125.2748 54.7549 32.3282 173.1408 11 S 3.9441 8.5914 122.5970 59.4990 63.1530 174.4618 12 G 3.9050 8.9473 112.9228 45.7946 0.0000 172.3200 13 E 4.5578 8.4726 123.0269 54.3050 31.3933 176.1390 14 K 4.3822 8.2637 122.7454 54.8094 34.2442 174.0460 15 P 4.4314 0.0000 0.0000 63.7808 31.5601 175.5904 16 Y 4.9488 7.6398 116.7908 56.8763 42.2834 173.8781 17 E 5.2909 8.6360 119.4070 55.4996 33.0096 174.1160 18 C 4.1963 8.9871 127.4971 58.8000 32.6435 173.1719 19 Y 4.6051 7.5429 123.7267 57.3109 37.9504 175.4293 20 I 4.2582 7.6518 120.9715 62.9528 38.9425 176.2163 21 C 4.6589 7.7989 110.2082 57.3988 30.7363 173.5278 22 H 4.1080 8.2477 116.2748 56.7177 26.0686 174.5641 23 A 4.1809 7.8636 122.2979 51.0280 18.8851 178.3650 24 R 4.4616 8.1898 120.7574 57.4628 31.2485 176.6801 25 F 4.8397 9.1786 119.2946 56.8135 43.6099 175.1169 26 T 4.5167 8.9146 116.4941 62.4470 68.0017 174.6376 27 Q 4.6215 7.7873 119.7526 54.0289 32.7641 175.9754 28 S 2.7900 8.4757 120.1106 60.8284 62.8855 177.1029 29 G 3.3948 7.6957 108.7293 47.8137 0.0000 175.4905 30 T 3.7338 7.6910 116.8875 66.6293 68.7173 175.5506 31 M 2.5500 7.3306 119.3189 58.1846 32.0161 177.9892 32 K 3.6821 7.5037 118.1004 60.1704 32.2381 179.2271 33 M 3.9950 8.0390 118.4307 58.2187 31.7868 178.3900 34 H 4.0816 8.1122 119.2156 59.2103 30.0552 177.4293 35 I 3.9128 7.5528 121.3522 63.5127 36.7580 177.3215 36 L 4.3967 7.3994 118.5959 56.6445 40.9092 177.9352 37 Q 4.2646 7.4039 118.3169 57.6723 29.5638 177.0720 38 K 4.2068 8.1859 117.8418 56.8613 34.0246 176.8906 39 H 4.9970 7.4366 114.2353 55.0125 28.7378 174.1603 40 T 4.1197 7.7787 114.7826 64.1418 68.1125 174.6750 41 E 4.4597 8.0642 117.5490 57.3647 30.8822 175.5672 42 N 4.7912 7.9070 117.2256 52.2759 38.8497 175.4918 43 V 4.1911 7.1359 114.6156 60.8451 34.1246 173.0833 44 A 4.1154 8.4053 128.0187 54.7562 18.9940 177.4219 45 K 4.5136 7.5764 114.4928 55.8814 33.6723 175.9123 46 F 4.8572 8.9533 121.6829 56.0677 41.6496 174.2628 47 H 5.3465 8.7450 119.6072 53.7497 31.6864 173.4082 48 C 4.3372 8.4615 123.1318 58.6661 32.1811 172.4200 49 P 4.4428 0.0000 0.0000 64.1149 30.4504 175.4990 50 H 4.7291 7.2122 113.7004 55.9703 31.5942 174.9606 51 C 4.6393 7.7225 114.7692 56.7301 32.0401 173.9924 52 D 4.7289 8.2949 120.0642 53.5997 39.2825 175.6885 53 T 4.7055 7.6578 119.0483 61.6425 73.3373 173.0813 54 V 4.1338 8.2880 124.9935 62.5546 33.1472 175.1927 55 I 4.1860 8.9922 127.0090 59.5717 39.9932 175.1647 56 A 3.7373 9.1922 128.9955 55.5754 18.9498 178.3560 57 R 4.0814 7.1742 107.6952 52.3534 34.5810 175.9765 58 K 3.0418 6.6033 118.4517 59.5460 30.3218 178.1595 59 S 3.9894 7.8242 113.5707 61.9373 62.5903 176.0723 60 D 4.3969 7.7330 120.7770 56.6890 40.8550 177.5605 61 L 3.8679 7.9496 121.5776 58.3396 41.9589 178.9872 62 G 3.8943 7.3599 104.2356 48.1011 0.0000 175.1816 63 V 3.5856 7.6224 121.0918 66.1098 31.5626 177.6367 64 H 4.2311 8.0729 117.0632 59.2637 29.7892 177.0673 65 L 4.0914 8.3066 121.0038 57.2161 41.0900 179.3752 66 R 4.3142 7.7933 117.2749 59.1547 30.6289 178.0996 67 K 4.1257 8.6324 118.3275 58.5952 31.9697 179.0167 68 Q 4.0799 7.7858 120.6964 59.1220 29.5093 176.4355 69 H 4.8057 7.6150 114.0973 54.2585 31.0695 174.6462 70 S 4.5867 8.4554 114.5149 56.9718 61.9027 172.1233 71 Y 4.4094 8.0686 122.0594 55.2822 38.4228 174.9269 72 S 4.5936 7.8473 116.3353 56.5231 65.5463 174.4743 73 G 3.7177 8.4820 113.8498 44.7934 0.0000 173.1738 74 P 4.5383 0.0000 0.0000 62.2354 29.2530 174.7513 75 S 4.7539 7.9718 121.0944 57.4869 65.8294 175.2750 76 S 4.4761 8.7525 121.3055 55.9938 61.3820 174.6218 77 G 3.6338 8.2368 112.3781 45.8814 0.0000 169.9501 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 G 8.34 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 2 S 7.99 4.14 0.00 4.00 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 3 S 8.92 4.65 0.00 3.93 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 4 G 8.07 4.58 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 5 S 8.39 4.64 0.00 3.94 3.79 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 0.00 0.00 0.00 0.00 6 S 8.03 4.80 0.00 3.95 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 7 G 7.88 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 8 R 8.24 4.47 0.00 1.86 1.89 0.00 2.98 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 9 T 8.31 4.59 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 1.22 0.00 0.00 10 H 8.60 4.68 0.00 3.00 3.15 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.59 3.94 0.00 3.96 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 12 G 8.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.47 4.56 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 14 K 8.26 4.38 0.00 1.73 2.14 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 15 P 0.00 4.43 0.00 1.89 2.09 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 16 Y 7.64 4.95 0.00 3.20 2.91 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 17 E 8.64 5.29 0.00 2.00 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 2.24 2.30 0.00 18 C 8.99 4.20 0.00 3.29 2.98 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 0.00 0.00 0.00 19 Y 7.54 4.61 0.00 3.04 3.07 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 0.00 0.00 0.00 0.00 20 I 7.65 4.26 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 0.45 0.00 0.00 21 C 7.80 4.66 0.00 3.12 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 22 H 8.25 4.11 0.00 3.38 3.51 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.86 4.18 1.13 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 24 R 8.19 4.46 0.00 1.55 1.82 0.00 3.38 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 25 F 9.18 4.84 0.00 2.94 2.86 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 0.00 0.00 0.00 26 T 8.91 4.52 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 1.27 0.00 0.00 27 Q 7.79 4.62 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 28 S 8.48 2.79 0.00 3.47 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 3.39 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 30 T 7.69 3.73 4.32 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 1.26 0.00 0.00 31 M 7.33 2.55 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 32 K 7.50 3.68 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.41 7.81 33 M 8.04 3.99 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 34 H 8.11 4.08 0.00 2.97 2.94 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.55 3.91 1.74 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.78 0.00 0.00 36 L 7.40 4.40 0.00 1.78 1.76 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.40 4.26 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 38 K 8.19 4.21 0.00 1.22 1.55 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.38 7.81 39 H 7.44 5.00 0.00 3.25 3.17 0.00 5.65 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.78 4.12 4.54 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 1.23 0.00 0.00 41 E 8.06 4.46 0.00 2.14 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 2.23 2.33 0.00 42 N 7.91 4.79 0.00 2.76 2.86 0.00 0.00 6.80 7.71 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 43 V 7.14 4.19 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 0.21 0.00 0.00 0.69 0.00 0.00 44 A 8.41 4.12 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 45 K 7.58 4.51 0.00 1.65 1.81 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 46 F 8.95 4.86 0.00 3.24 2.95 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 0.00 0.00 0.00 47 H 8.74 5.35 0.00 2.99 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 8.46 4.34 0.00 2.98 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 49 P 0.00 4.44 0.00 2.00 1.99 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.76 0.00 50 H 7.21 4.73 0.00 3.05 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.72 4.64 0.00 3.13 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 52 D 8.29 4.73 0.00 2.72 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 53 T 7.66 4.71 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 1.10 0.00 0.00 54 V 8.29 4.13 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 0.77 0.00 0.00 0.87 0.00 0.00 55 I 8.99 4.19 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.35 0.87 0.00 0.00 56 A 9.19 3.74 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 57 R 7.17 4.08 0.00 1.69 1.94 0.00 2.96 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 58 K 6.60 3.04 0.00 1.65 1.59 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.41 1.41 7.81 59 S 7.82 3.99 0.00 4.01 4.06 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 60 D 7.73 4.40 0.00 2.60 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 61 L 7.95 3.87 0.00 1.61 1.75 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.36 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 0.00 0.00 0.00 63 V 7.62 3.59 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 0.91 0.00 0.00 64 H 8.07 4.23 0.00 3.28 3.47 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.31 4.09 0.00 1.82 1.58 0.56 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.79 4.31 0.00 1.93 2.00 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 67 K 8.63 4.13 0.00 1.79 1.73 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.52 7.81 68 Q 7.79 4.08 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 69 H 7.61 4.81 0.00 3.40 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.46 4.59 0.00 3.77 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 71 Y 8.07 4.41 0.00 3.13 2.86 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 0.00 0.00 0.00 72 S 7.85 4.59 0.00 3.81 3.68 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 73 G 8.48 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 74 P 0.00 4.54 0.00 2.17 2.09 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 75 S 7.97 4.75 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.75 4.48 0.00 3.85 3.82 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 77 G 8.24 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00