NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 A 4.2573 8.1227 123.5844 52.4900 19.9715 178.7709 1002 S 3.9804 8.3407 115.3858 58.7250 61.9201 173.0854 1003 K 4.2929 8.8423 122.8733 55.9446 33.2108 174.0669 1004 K 3.8725 8.2317 111.6930 57.7801 29.8662 175.6845 1005 S 5.2787 7.0335 123.2377 57.8317 63.4299 177.8360 1006 V 4.5186 8.0167 117.8772 61.0291 34.8776 173.3402 1007 R 4.8061 8.6575 125.3412 56.0294 30.9041 176.4883 1008 W 4.3133 8.4535 130.7300 53.9592 30.1755 174.0119 1009 C 4.2176 8.3057 130.1847 55.4197 39.4453 173.4501 1010 T 4.4887 8.0877 107.2205 61.4160 69.1384 172.3098 1011 T 5.2224 8.5069 109.6577 60.0249 74.0323 176.2551 1012 S 4.3816 9.1560 119.3725 58.7274 61.9465 174.6405 1013 P 4.1971 0.0000 0.0000 58.7975 34.1488 176.5121 1014 A 3.9571 8.9108 122.5262 55.6135 18.6832 180.5804 1015 E 3.7161 7.6096 116.5450 58.5568 30.8220 177.4406 1016 S 4.8065 7.7771 110.9976 57.0023 62.6212 174.4786 1017 K 4.6007 8.2975 122.9788 53.9137 32.1440 177.0012 1018 K 4.7801 7.8800 133.8958 58.2304 32.9806 176.8411 1019 C 4.1605 7.9420 118.4848 57.1463 44.3857 174.4762 1020 A 4.1043 10.6000 125.3517 53.0473 16.3610 181.9033 1021 Q 4.8200 8.8964 123.8232 60.1984 30.5753 178.8414 1022 W 4.3163 8.0542 119.9869 55.2898 28.6058 174.8223 1023 Q 4.7145 7.3762 121.6861 57.3173 35.3184 174.0382 1024 R 4.5863 7.4352 118.9445 54.8359 31.8172 176.7275 1025 R 4.2031 10.4174 124.4443 56.8836 30.7164 176.9375 1026 M 3.2541 7.6968 117.3008 58.1255 32.3625 175.6389 1027 K 4.5563 7.7475 119.5426 55.4525 33.3006 174.8924 1028 K 3.7374 8.8694 127.4947 55.9393 35.0268 176.4702 1029 V 3.9254 7.4526 121.0356 62.5642 32.1836 175.5107 1030 R 3.7608 8.9764 115.2390 58.6037 30.0175 177.3838 1031 G 3.7610 7.8599 105.8607 42.8074 0.0000 170.8098 1032 P 4.3454 0.0000 0.0000 61.9904 29.8103 174.1077 1033 S 4.1600 8.3848 116.3534 59.1169 63.9461 173.2261 1034 V 4.7955 8.2841 124.9818 61.4827 33.8201 173.7317 1035 T 3.6746 9.0833 116.6352 63.4493 68.7933 176.4192 1036 C 5.6554 10.4280 128.8769 53.8709 44.1902 171.4852 1037 V 3.2097 7.4761 116.0911 63.4984 29.4689 169.1560 1038 K 5.6037 7.2192 116.7716 56.8238 32.6697 177.9303 1039 K 4.0158 10.0798 117.4784 57.6475 30.1656 175.1285 1040 T 3.7216 8.1761 110.1052 63.8660 70.2605 172.2611 1041 S 4.5382 10.2639 117.6331 57.7986 66.0540 175.4636 1042 R 4.1238 8.2546 117.3342 58.7572 29.6143 178.1111 1043 F 4.1473 8.3397 119.0217 58.7971 40.8783 175.2784 1044 E 4.7320 9.8048 127.5005 55.4200 28.0710 174.7363 1045 C 4.4773 9.0618 124.4646 56.5575 42.9171 173.0760 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 1001 A 8.12 4.26 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 1002 S 8.34 3.98 0.00 3.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 K 8.84 4.29 0.00 1.70 1.64 0.00 1.97 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.52 7.81 1004 K 8.23 3.87 0.00 1.86 1.89 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.41 7.81 1005 S 7.03 5.28 0.00 4.11 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 V 8.02 4.52 2.07 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 0.89 0.00 0.00 0.91 0.00 0.00 1007 R 8.66 4.81 0.00 1.63 1.86 0.00 3.30 0.00 0.00 3.81 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 1008 W 8.45 4.31 0.00 3.64 3.10 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 1009 C 8.31 4.22 0.00 2.82 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 1010 T 8.09 4.49 4.59 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 1.46 0.00 0.00 1011 T 8.51 5.22 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 1.24 0.00 0.00 1012 S 9.16 4.38 0.00 4.04 3.60 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 1013 P 0.00 4.20 0.00 2.23 1.99 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 1014 A 8.91 3.96 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 1015 E 7.61 3.72 0.00 1.99 2.14 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 2.34 2.48 0.00 1016 S 7.78 4.81 0.00 3.86 3.76 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 1017 K 8.30 4.60 0.00 1.78 1.75 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.52 7.81 1018 K 7.88 4.78 0.00 1.87 1.79 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.24 7.81 1019 C 7.94 4.16 0.00 3.05 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 1020 A 10.60 4.10 1.20 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 0.00 0.00 1021 Q 8.90 4.82 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.27 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 1022 W 8.05 4.32 0.00 3.30 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 1023 Q 7.38 4.71 0.00 2.26 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.71 0.00 1024 R 7.44 4.59 0.00 1.82 1.83 0.00 3.33 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 1025 R 10.42 4.20 0.00 1.93 2.04 0.00 3.35 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 1026 M 7.70 3.25 0.00 1.81 1.59 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.46 0.00 1027 K 7.75 4.56 0.00 2.00 1.58 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.27 7.81 1028 K 8.87 3.74 0.00 1.72 1.91 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.21 1.10 7.81 1029 V 7.45 3.93 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 0.92 0.00 0.00 0.91 0.00 0.00 1030 R 8.98 3.76 0.00 1.88 1.94 0.00 3.31 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 1031 G 7.86 3.76 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 0.00 1032 P 0.00 4.35 0.00 2.16 2.14 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 1033 S 8.38 4.16 0.00 3.77 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 1034 V 8.28 4.80 2.30 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 0.61 0.00 0.00 1.38 0.00 0.00 1035 T 9.08 3.67 4.28 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 1.24 0.00 0.00 1036 C 10.43 5.66 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1037 V 7.48 3.21 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 0.93 0.00 0.00 0.95 0.00 0.00 1038 K 7.22 5.60 0.00 1.95 1.78 0.00 1.24 0.00 0.00 2.39 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.51 7.81 1039 K 10.08 4.02 0.00 1.93 2.26 0.00 1.70 0.00 0.00 1.97 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.28 7.81 1040 T 8.18 3.72 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 1041 S 10.26 4.54 0.00 3.83 3.80 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 1042 R 8.25 4.12 0.00 1.99 2.17 0.00 3.07 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 1043 F 8.34 4.15 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1044 E 9.80 4.73 0.00 2.00 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 0.00 0.00 0.00 2.55 2.61 0.00 1045 C 9.06 4.48 0.00 3.04 3.05 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