NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5884 8.1627 120.6110 55.3779 34.2125 173.5020 2 K 4.8337 8.3461 127.6781 53.4318 33.8934 169.6600 3 V 4.5027 9.6046 130.1608 61.5491 33.8608 174.0028 4 L 4.6642 8.4357 127.3425 52.9302 44.5459 175.0011 5 Y 5.1026 7.9214 119.9650 56.3262 40.6516 175.1645 6 F 4.9102 8.3465 119.3240 56.4613 44.7171 177.2240 7 A 3.7169 8.4264 125.6692 53.5307 17.5802 180.7859 8 E 4.0556 8.8730 119.8924 61.5284 30.0768 178.7818 9 I 3.6693 7.7141 119.5364 63.9370 36.9967 177.8468 10 K 3.9797 8.0229 121.3798 59.0016 31.6444 178.2395 11 D 4.3217 7.6458 116.9816 57.3812 40.8362 178.6478 12 I 3.8057 7.5567 118.9339 64.4078 36.0390 178.2926 13 L 3.7591 8.1099 118.7815 54.8480 41.2218 177.3168 14 Q 3.5186 7.3978 117.2721 55.7328 26.7367 173.4715 15 K 4.4464 7.1491 111.2098 55.9580 35.8179 175.7520 16 A 4.4262 8.4887 122.2449 54.1249 20.4726 176.6340 17 Q 4.9491 7.7156 110.8775 55.9529 31.7717 172.9691 18 E 4.7837 8.7022 116.1318 55.9608 33.6653 173.8522 19 D 5.4858 8.5675 119.4920 52.6541 43.7359 175.1528 20 I 4.5127 8.3726 124.6768 59.2652 39.4753 175.8293 21 V 3.8482 8.4863 127.0088 62.3207 32.1778 174.9150 22 L 4.8272 8.2446 126.4391 53.0269 44.3105 176.3370 23 E 4.1211 9.0539 123.6953 58.7674 29.7864 176.7463 24 Q 4.6493 7.5992 112.8880 53.4372 31.7837 174.5250 25 A 4.5788 8.2910 120.2660 52.4740 19.3462 176.6287 26 L 4.9088 8.6607 118.7567 54.5702 44.3825 175.3723 27 T 4.2663 8.5275 110.3287 61.3056 70.0640 175.5159 28 V 3.6500 8.5306 122.5369 66.2731 31.4128 178.1019 29 Q 3.9841 8.0921 119.1458 59.5996 28.9439 178.6144 30 Q 4.2124 8.1698 118.8479 58.7763 28.6774 178.6020 31 F 4.2256 8.6394 122.1806 61.3510 39.3686 176.9891 32 E 3.4319 8.3977 118.2556 59.3641 29.3472 178.9854 33 D 4.4359 8.0182 118.8526 57.3111 40.8257 178.7135 34 L 3.8689 7.7315 120.6492 58.0548 42.0628 178.8410 35 L 3.7254 7.4323 120.1925 58.1432 41.7419 178.9358 36 F 4.6530 7.9318 116.8639 60.2739 38.9188 177.1072 37 E 4.1129 7.9576 118.1660 58.9216 29.4624 178.4238 38 R 3.8793 7.5299 117.9826 58.0841 31.6383 176.1912 39 Y 5.1585 7.9460 114.9936 55.0965 38.4896 174.0341 40 P 4.2862 0.0000 0.0000 65.8642 31.7148 179.1911 41 Q 4.1338 8.2568 115.4394 57.8635 28.6258 176.6851 42 I 4.5162 8.1207 112.5868 60.6494 37.6995 176.7267 43 N 3.3600 8.2330 118.1545 54.4341 37.2948 174.9977 44 N 4.7364 7.9599 116.0691 53.1040 39.4927 173.3714 45 K 4.6400 7.6307 116.4712 54.6156 33.6956 176.6464 46 K 4.1945 8.6276 123.2938 56.5449 32.7670 176.1188 47 F 5.0257 7.6605 114.7892 56.5918 40.2037 173.2321 48 Q 4.6740 8.9194 119.5393 55.0693 31.1889 174.6132 49 V 5.1225 8.5299 119.9539 61.3081 34.4893 173.9396 50 A 5.0417 9.0732 129.1237 50.0938 21.6986 175.1073 51 V 4.3697 8.7068 123.1792 61.1191 33.5340 175.7099 52 N 4.1915 9.8825 128.2490 54.6553 36.4566 174.5708 53 E 3.7406 8.2050 110.2764 56.9409 27.3913 174.6026 54 E 4.5709 7.5927 117.6360 54.0974 33.0909 175.3346 55 F 4.9292 8.2267 121.3241 57.9577 39.6023 175.0286 56 V 4.6796 8.3289 114.4352 59.7993 35.8551 175.1138 57 Q 4.4859 9.2146 121.1930 54.7325 30.3280 177.7329 58 K 3.9399 8.6904 120.1378 59.2801 32.2469 178.9502 59 S 4.2989 7.8106 110.8481 58.7400 63.8091 173.9173 60 D 4.5400 7.9063 122.2708 54.3393 42.0367 175.1951 61 F 5.0758 8.6219 119.3292 56.3765 41.0497 175.2144 62 I 4.4631 8.9963 123.7383 59.7655 39.3256 175.6134 63 Q 4.6264 9.2244 126.2970 54.1188 30.0349 175.1338 64 P 4.2258 0.0000 0.0000 65.9010 31.4106 177.2308 65 N 4.7473 7.9811 112.5034 53.3894 38.6328 174.6331 66 D 4.7274 7.9363 119.5800 54.2321 42.9634 175.1959 67 T 4.8680 9.1498 117.2693 61.9273 70.8819 173.9791 68 V 4.8800 8.7802 125.8994 60.9929 35.1527 174.1122 69 A 5.0156 8.8082 127.5068 50.3343 22.5815 174.9933 70 L 4.5480 8.6648 123.6850 54.2681 42.6126 177.1116 71 I 4.4517 9.1264 127.1862 58.9971 38.1012 173.9996 72 P 5.1020 0.0000 0.0000 60.9898 32.6806 174.4431 73 P 4.1813 0.0000 0.0000 63.1570 31.3624 177.2751 74 V 3.9027 8.2528 116.8778 61.8901 32.5417 176.8145 75 S 4.5988 8.0937 115.5351 57.1223 62.6560 173.3257 76 G 3.7886 7.8133 109.5699 46.1206 0.0000 173.4965 77 G 4.1186 8.5391 107.1077 45.9258 0.0000 173.6318 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 M 8.16 4.59 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 2 K 8.35 4.83 0.00 1.83 1.61 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.34 7.81 3 V 9.60 4.50 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 0.59 0.00 0.00 1.08 0.00 0.00 4 L 8.44 4.66 0.00 1.52 1.06 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.92 5.10 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 4.91 0.00 3.11 2.87 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 7 A 8.43 3.72 1.17 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 0.00 0.00 8 E 8.87 4.06 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 2.34 0.00 9 I 7.71 3.67 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.71 0.00 0.00 10 K 8.02 3.98 0.00 1.82 2.00 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 11 D 7.65 4.32 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.81 1.76 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.57 0.84 0.00 0.00 13 L 8.11 3.76 0.00 1.14 0.98 -0.60 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.40 3.52 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 15 K 7.15 4.45 0.00 1.87 1.81 0.00 1.30 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 A 8.49 4.43 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 17 Q 7.72 4.95 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 18 E 8.70 4.78 0.00 2.11 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 0.00 2.44 2.39 0.00 19 D 8.57 5.49 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.51 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.96 0.00 0.00 21 V 8.49 3.85 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 0.80 0.00 0.00 0.94 0.00 0.00 22 L 8.24 4.83 0.00 1.64 1.55 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.05 4.12 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 24 Q 7.60 4.65 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 25 A 8.29 4.58 1.26 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 0.00 0.00 0.00 26 L 8.66 4.91 0.00 1.80 1.81 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.53 4.27 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 28 V 8.53 3.65 2.33 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 1.18 0.00 0.00 1.04 0.00 0.00 29 Q 8.09 3.98 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 30 Q 8.17 4.21 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 31 F 8.64 4.23 0.00 3.10 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 32 E 8.40 3.43 0.00 2.22 1.83 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 2.37 2.64 0.00 33 D 8.02 4.44 0.00 2.89 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 34 L 7.73 3.87 0.00 1.77 1.74 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.43 3.73 0.00 1.25 1.10 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.93 4.65 0.00 3.11 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 37 E 7.96 4.11 0.00 2.01 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 0.00 2.29 2.29 0.00 38 R 7.53 3.88 0.00 1.63 1.43 0.00 2.45 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 39 Y 7.95 5.16 0.00 3.16 2.70 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 40 P 0.00 4.29 0.00 2.24 2.37 0.00 3.87 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 41 Q 8.26 4.13 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.37 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 42 I 8.12 4.52 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.34 0.85 0.00 0.00 43 N 8.23 3.36 0.00 2.20 2.77 0.00 0.00 6.60 7.53 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 44 N 7.96 4.74 0.00 2.59 2.78 0.00 0.00 6.97 6.68 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 45 K 7.63 4.64 0.00 2.00 1.90 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.61 7.81 46 K 8.63 4.19 0.00 1.81 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.38 7.81 47 F 7.66 5.03 0.00 3.13 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 48 Q 8.92 4.67 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 49 V 8.53 5.12 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 1.08 0.00 0.00 1.31 0.00 0.00 50 A 9.07 5.04 1.02 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 0.00 0.00 51 V 8.71 4.37 2.06 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 0.92 0.00 0.00 0.86 0.00 0.00 52 N 9.88 4.19 0.00 2.78 2.79 0.00 0.00 7.15 8.28 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 53 E 8.21 3.74 0.00 2.06 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 2.13 2.26 0.00 54 E 7.59 4.57 0.00 1.84 1.76 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 2.16 2.37 0.00 55 F 8.23 4.93 0.00 3.00 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 56 V 8.33 4.68 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 57 Q 9.21 4.49 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 58 K 8.69 3.94 0.00 1.80 1.85 0.00 1.65 0.00 0.00 2.04 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.43 7.81 59 S 7.81 4.30 0.00 3.86 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 60 D 7.91 4.54 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 5.08 0.00 2.96 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 62 I 9.00 4.46 1.93 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.73 0.00 0.00 63 Q 9.22 4.63 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 64 P 0.00 4.23 0.00 2.03 2.30 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 65 N 7.98 4.75 0.00 2.69 2.81 0.00 0.00 6.92 8.06 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 66 D 7.94 4.73 0.00 2.72 2.50 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 0.00 0.00 0.00 0.00 67 T 9.15 4.87 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 1.17 0.00 0.00 68 V 8.78 4.88 1.79 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 0.67 0.00 0.00 0.57 0.00 0.00 69 A 8.81 5.02 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 70 L 8.66 4.55 0.00 1.54 1.16 0.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 I 9.13 4.45 2.29 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 1.13 0.00 0.00 72 P 0.00 5.10 0.00 2.04 2.13 0.00 3.84 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 2.25 0.00 73 P 0.00 4.18 0.00 2.07 2.07 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 74 V 8.25 3.90 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 0.84 0.00 0.00 0.95 0.00 0.00 75 S 8.09 4.60 0.00 3.93 3.86 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 76 G 7.81 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 0.00 0.00 0.00 77 G 8.54 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