NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3016 8.1233 122.4566 51.6298 20.8561 175.7570 2 D 4.3599 8.5186 120.1130 53.9779 40.5485 175.4683 3 C 4.5532 9.4137 124.6730 58.9490 38.4248 174.3661 4 A 4.6930 7.2155 118.6436 50.4390 22.3748 175.1889 5 K 4.7632 9.3617 122.6905 53.5210 35.3232 176.1005 6 G 3.9628 7.9150 112.7998 46.3987 0.0000 171.4064 7 K 4.8363 8.1998 118.8880 55.7093 33.3494 177.4033 8 I 4.0656 8.1601 123.6041 61.4263 37.5852 176.1363 9 E 4.4213 9.3203 126.5898 58.9193 30.2496 176.7377 10 F 5.0734 7.3114 111.8881 56.0468 40.9545 173.1836 11 S 5.1938 8.8121 113.5359 56.8750 66.6751 173.0901 12 K 4.5037 8.1684 121.0954 55.4214 35.8574 173.7959 13 Y 4.7086 8.7602 128.9689 56.9558 39.8049 174.3659 14 N 4.9845 8.3660 124.0260 51.2806 40.8588 175.8389 15 E 4.1687 8.7722 120.0158 59.5190 29.6143 177.8853 16 D 4.5870 7.8944 115.7385 53.0419 39.5232 176.8033 17 D 3.9904 8.2519 118.4084 54.7952 39.2312 174.0250 18 T 4.1540 7.6992 111.0956 60.9891 71.2881 173.1230 19 F 5.0903 9.0896 122.7368 56.9807 43.0097 173.1578 20 T 5.3726 8.7382 122.3841 61.9941 71.5022 173.7148 21 V 4.7333 9.1443 117.6697 59.4054 36.3581 174.3204 22 K 4.6259 8.1296 125.1422 54.6675 34.0346 175.1313 23 V 4.5780 8.5643 127.4099 61.5690 34.9445 174.8681 24 D 4.4106 9.7632 126.8170 55.4275 39.4965 174.0225 25 G 3.9362 9.0176 103.2791 45.5371 0.0000 173.8244 26 K 4.5330 7.8447 118.7574 54.2526 35.8144 175.0257 27 E 4.7474 8.6259 123.4719 55.4912 31.5784 174.9485 28 Y 5.3465 9.0505 120.7642 56.0296 42.7079 174.2329 29 W 5.5548 8.8218 119.3076 55.1109 31.8532 174.1983 30 T 4.4405 9.1791 115.6459 60.3085 70.3091 174.2083 31 S 4.4661 8.5847 120.4680 58.0009 63.8931 174.2975 32 R 4.1306 7.6824 122.0184 55.6784 29.6281 176.9607 33 W 4.2159 9.1341 124.4112 60.2116 28.1677 178.2825 34 N 4.5033 8.4328 115.2168 56.0440 37.9498 176.9146 35 L 4.1872 7.9895 119.8801 56.6898 41.6293 179.1189 36 Q 2.7581 7.8985 119.1949 58.1776 28.5869 177.0484 37 P 4.2487 0.0000 0.0000 65.6479 31.5220 178.3805 38 L 3.8658 7.3844 119.3653 57.6383 41.4672 179.4179 39 L 4.4135 8.5307 119.4994 57.8521 41.5357 179.2888 40 Q 4.2371 8.4372 119.7516 59.3273 29.0186 178.4944 41 S 4.1465 8.5267 116.3613 61.3539 62.7760 176.3952 42 A 4.1012 8.2597 123.6199 55.1257 18.2859 179.4176 43 Q 3.9786 8.5995 118.7232 59.3840 29.0220 178.6497 44 L 4.1368 8.1830 119.3790 58.2019 40.5907 177.9588 45 T 4.4270 7.6811 111.1918 60.9311 67.6528 174.3189 46 G 3.8590 7.8228 106.9526 47.3535 0.0000 173.5096 47 M 4.3079 8.2600 119.9636 55.3228 33.1111 175.9200 48 T 4.4040 8.5601 122.4707 63.5720 70.0562 174.0125 49 V 4.7512 8.9276 118.7992 59.7119 36.1568 174.6886 50 T 4.7391 8.4591 119.0375 61.8433 71.3634 173.4552 51 I 3.8340 8.4595 128.6169 60.3001 38.4814 175.2186 52 K 4.8953 7.9433 125.8615 54.7838 34.7462 175.3684 53 S 4.4558 8.5232 117.7008 57.6238 65.4620 175.0071 54 S 4.3047 8.8231 118.9804 60.7487 62.8517 175.1363 55 T 4.7229 7.6217 108.1872 60.0901 71.1773 173.0482 56 C 5.0358 8.1116 119.1593 56.7050 36.5979 174.4659 57 E 4.2073 7.9490 120.1894 55.8621 29.7383 176.3069 58 S 3.8465 8.2153 116.2511 59.9741 62.8006 174.6605 59 G 4.0700 9.1438 116.3434 45.0692 0.0000 173.8454 60 S 4.5836 7.8971 116.0467 58.3097 64.3147 173.7698 61 G 2.7245 8.2805 108.9851 44.5618 0.0000 172.8257 62 F 4.9862 7.7983 114.6818 54.9691 41.1284 174.2474 63 A 4.4245 8.4617 120.0475 51.4096 20.5747 175.2742 64 E 4.9194 8.0765 118.4180 55.2201 33.2095 174.6292 65 V 4.7183 8.3503 124.5806 60.5039 34.5330 172.9511 66 Q 4.5697 8.7667 125.0860 54.3866 31.5706 174.0156 67 F 4.9171 8.8426 124.5157 56.1862 40.2838 175.0301 68 N 4.9316 9.1398 121.9870 51.8353 40.6957 175.0124 69 N 4.8055 8.5175 115.8400 53.1048 39.1648 175.2755 70 D 4.5647 8.1418 124.0162 54.9312 40.8766 176.4100 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 A 8.12 4.30 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 2 D 8.52 4.36 0.00 2.59 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 3 C 9.41 4.55 0.00 2.43 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.22 4.69 1.09 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 0.00 0.00 5 K 9.36 4.76 0.00 1.62 1.58 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.33 7.81 6 G 7.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 4.84 0.00 1.66 1.76 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.47 7.81 8 I 8.16 4.07 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 0.99 0.00 0.00 9 E 9.32 4.42 0.00 1.77 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 2.32 2.37 0.00 10 F 7.31 5.07 0.00 3.02 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 11 S 8.81 5.19 0.00 3.58 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 12 K 8.17 4.50 0.00 1.88 1.66 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.39 7.81 13 Y 8.76 4.71 0.00 3.34 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 14 N 8.37 4.98 0.00 2.81 2.58 0.00 0.00 6.61 8.24 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 15 E 8.77 4.17 0.00 1.94 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 2.36 2.26 0.00 16 D 7.89 4.59 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 3.99 0.00 2.64 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 0.00 0.00 0.00 0.00 18 T 7.70 4.15 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 19 F 9.09 5.09 0.00 2.94 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 20 T 8.74 5.37 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 1.32 0.00 0.00 21 V 9.14 4.73 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 0.91 0.00 0.00 0.94 0.00 0.00 22 K 8.13 4.63 0.00 0.79 0.84 0.00 1.54 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.25 7.81 23 V 8.56 4.58 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 0.84 0.00 0.00 0.80 0.00 0.00 24 D 9.76 4.41 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.02 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.84 4.53 0.00 1.66 1.15 0.00 1.90 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.33 7.81 27 E 8.63 4.75 0.00 1.78 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 0.00 2.08 2.18 0.00 28 Y 9.05 5.35 0.00 2.60 2.74 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 0.00 0.00 0.00 0.00 29 W 8.82 5.55 0.00 3.45 3.20 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 0.00 0.00 0.00 0.00 30 T 9.18 4.44 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 1.10 0.00 0.00 31 S 8.58 4.47 0.00 3.95 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 32 R 7.68 4.13 0.00 1.77 1.93 0.00 3.33 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 33 W 9.13 4.22 0.00 3.44 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.43 4.50 0.00 2.88 2.92 0.00 0.00 7.10 6.74 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 35 L 7.99 4.19 0.00 1.85 1.82 0.91 0.96 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 36 Q 7.90 2.76 0.00 2.02 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 1.71 2.22 0.00 37 P 0.00 4.25 0.00 2.24 2.29 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 38 L 7.38 3.87 0.00 1.97 1.39 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.53 4.41 0.00 1.98 2.09 1.40 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.44 4.24 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 41 S 8.53 4.15 0.00 4.00 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 42 A 8.26 4.10 1.68 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 43 Q 8.60 3.98 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 44 L 8.18 4.14 0.00 1.85 1.85 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.68 4.43 4.27 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 1.36 0.00 0.00 46 G 7.82 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 0.00 0.00 0.00 47 M 8.26 4.31 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 48 T 8.56 4.40 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 49 V 8.93 4.75 1.71 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 0.60 0.00 0.00 0.75 0.00 0.00 50 T 8.46 4.74 4.08 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 1.11 0.00 0.00 51 I 8.46 3.83 0.94 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.09 -0.56 0.00 0.00 52 K 7.94 4.90 0.00 1.53 1.59 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.33 7.81 53 S 8.52 4.46 0.00 3.79 3.74 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 0.00 0.00 0.00 0.00 54 S 8.82 4.30 0.00 3.89 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 55 T 7.62 4.72 4.47 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 1.24 0.00 0.00 56 C 8.11 5.04 0.00 2.91 3.20 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 0.00 0.00 0.00 0.00 57 E 7.95 4.21 0.00 2.09 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 2.41 2.37 0.00 58 S 8.22 3.85 0.00 3.66 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 4.07 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 0.00 0.00 0.00 60 S 7.90 4.58 0.00 4.13 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 61 G 8.28 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 0.00 0.00 0.00 62 F 7.80 4.99 0.00 2.97 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.42 1.14 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 64 E 8.08 4.92 0.00 1.99 1.72 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 2.23 2.28 0.00 65 V 8.35 4.72 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 0.71 0.00 0.00 0.38 0.00 0.00 66 Q 8.77 4.57 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 67 F 8.84 4.92 0.00 2.99 3.01 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 0.00 0.00 0.00 68 N 9.14 4.93 0.00 2.65 2.91 0.00 0.00 7.00 7.68 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 69 N 8.52 4.81 0.00 2.71 2.84 0.00 0.00 6.93 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 70 D 8.14 4.56 0.00 2.64 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