NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7748 8.4244 117.8176 52.3465 38.8945 172.8181 2 L 4.9683 8.3346 118.2669 54.8224 44.6412 175.2489 3 F 5.4519 9.5307 124.4094 55.5967 43.7099 173.9114 4 V 5.0082 9.0678 118.7242 59.8084 34.8710 174.7804 5 A 4.5659 8.8660 125.9430 52.2230 18.7201 178.4910 6 L 3.8093 8.9370 123.5983 57.1231 42.3052 176.6306 7 Y 4.9646 7.1876 113.3781 56.0939 42.4057 174.7952 8 D 5.0109 8.8634 120.4574 54.6344 42.0979 176.1767 9 F 5.0294 9.3765 124.1210 56.9135 43.0619 173.0139 10 V 4.2877 7.8778 125.9020 60.7476 32.6587 175.2118 11 A 4.0244 8.8667 130.7845 51.8169 18.9680 177.4746 12 S 4.5189 8.4759 117.0889 57.8362 63.9961 175.6100 13 G 3.8093 8.4007 111.6965 47.5725 0.0000 173.6890 14 D 4.5258 9.3341 116.3690 55.6406 38.2930 173.9091 15 N 4.3814 8.2804 112.2514 54.3544 35.8756 174.4109 16 T 5.0777 7.5405 107.9818 61.1593 70.4849 173.6327 17 L 4.9081 8.6665 123.7832 53.3232 44.8434 176.2762 18 S 4.7103 8.8081 121.8548 58.7233 63.9241 173.6369 19 I 5.0011 9.0420 123.2869 60.1046 41.7159 174.2229 20 T 5.0438 8.8833 122.1058 61.2355 71.0427 174.2511 21 K 4.0555 9.2423 126.9813 58.5420 32.5080 177.0689 22 G 3.9866 9.0728 115.1177 45.0601 0.0000 173.2373 23 E 4.2046 8.3816 122.2248 56.0849 30.6830 176.0760 24 K 5.0440 8.6040 125.8053 56.0410 33.7853 175.7687 25 L 4.7216 8.9625 122.0141 54.9506 44.4502 173.7259 26 R 4.8321 8.8895 121.0368 54.7996 32.2161 174.8897 27 V 4.1900 8.1553 126.1135 61.7771 31.9382 175.2394 28 L 4.3406 9.0080 127.9202 54.0134 42.9668 176.6483 29 G 3.8731 6.4086 107.0923 45.8295 0.0000 170.5206 30 Y 5.3658 8.0242 115.6586 56.0471 41.9864 175.2401 31 N 4.8578 9.0097 120.2116 51.7524 39.1974 175.5487 32 H 4.0923 9.0463 113.6131 58.8284 28.0352 175.7636 33 N 4.6313 7.8042 115.6434 51.4604 37.3012 176.5844 34 G 4.0710 8.2747 105.9060 46.4808 0.0000 175.0967 35 E 4.0865 7.9674 119.8008 58.0697 30.6561 176.8538 36 W 5.4875 8.9232 119.0964 54.8319 33.0609 174.5781 37 C 5.2706 9.5424 117.4328 56.3426 33.0995 172.7728 38 E 3.4296 8.4209 123.2344 55.5666 29.9385 175.2023 39 A 5.0325 8.5739 129.4937 50.2112 22.4896 174.8774 40 Q 4.9343 8.8101 120.4949 54.7874 32.6868 174.3608 41 T 4.8532 8.8060 116.8093 60.0935 72.2842 174.3036 42 K 4.2562 8.9268 119.0675 58.3512 32.1924 177.3304 43 N 4.7010 8.5374 115.6810 52.4467 40.0710 174.3086 44 G 3.7962 6.5913 104.3598 44.1721 0.0000 172.5800 45 Q 5.6242 8.4518 119.4934 52.6345 32.5829 175.3316 46 G 4.0882 7.0773 109.9673 45.9931 0.0000 171.6219 47 W 5.0995 8.4559 120.7195 56.4688 30.4031 176.4456 48 V 4.7459 8.9786 115.7752 58.7133 36.2908 173.4045 49 P 3.9429 0.0000 0.0000 62.4217 31.7949 178.1087 50 S 4.2036 8.7173 119.6296 61.6647 62.8972 175.7163 51 N 4.8451 8.1048 114.2791 53.7845 37.3737 174.8557 52 Y 4.6192 8.1154 116.8923 58.3983 38.6625 174.7386 53 I 5.2196 7.4528 112.7411 59.5721 40.9802 174.6009 54 T 4.8392 8.6685 116.2904 59.9657 71.0209 171.0585 55 P 4.0714 0.0000 0.0000 62.0064 32.5205 176.2097 56 V 3.7142 8.0909 127.2839 63.3667 31.7331 176.4642 57 N 4.1385 8.8027 124.3199 55.6187 34.5324 171.7538 58 S 4.0922 7.5517 120.5477 59.3262 62.6710 174.2972 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 N 8.42 4.77 0.00 2.76 2.56 0.00 0.00 6.50 6.90 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 2 L 8.33 4.97 0.00 1.84 1.52 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.53 5.45 0.00 3.04 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 4 V 9.07 5.01 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 0.77 0.00 0.00 0.99 0.00 0.00 5 A 8.87 4.57 1.39 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 6 L 8.94 3.81 0.00 0.42 0.47 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.19 4.96 0.00 2.47 2.63 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 8 D 8.86 5.01 0.00 2.68 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 9 F 9.38 5.03 0.00 3.20 3.02 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 10 V 7.88 4.29 1.90 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 0.74 0.00 0.00 0.89 0.00 0.00 11 A 8.87 4.02 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 12 S 8.48 4.52 0.00 3.93 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 13 G 8.40 3.81 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 0.00 0.00 0.00 14 D 9.33 4.53 0.00 2.69 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 15 N 8.28 4.38 0.00 3.09 3.14 0.00 0.00 6.74 7.05 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 16 T 7.54 5.08 4.71 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 0.00 0.00 0.00 1.17 0.00 0.00 17 L 8.67 4.91 0.00 1.67 1.64 0.94 1.03 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 18 S 8.81 4.71 0.00 3.81 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 19 I 9.04 5.00 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 1.06 0.00 0.00 20 T 8.88 5.04 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 1.32 0.00 0.00 21 K 9.24 4.06 0.00 1.71 1.78 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 22 G 9.07 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.38 4.20 0.00 2.14 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 2.33 2.32 0.00 24 K 8.60 5.04 0.00 1.70 1.74 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 L 8.96 4.72 0.00 1.83 1.73 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.89 4.83 0.00 1.93 1.77 0.00 3.22 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 27 V 8.16 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 -0.31 0.00 0.00 28 L 9.01 4.34 0.00 1.24 1.53 0.79 0.78 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 29 G 6.41 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 0.00 0.00 0.00 30 Y 8.02 5.37 0.00 3.01 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 31 N 9.01 4.86 0.00 2.74 2.61 0.00 0.00 7.00 8.05 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 32 H 9.05 4.09 0.00 3.30 3.50 0.00 5.51 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.80 4.63 0.00 2.88 3.00 0.00 0.00 6.10 7.10 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 34 G 8.27 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 35 E 7.97 4.09 0.00 1.82 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 2.23 2.24 0.00 36 W 8.92 5.49 0.00 3.18 3.23 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 37 C 9.54 5.27 0.00 2.38 2.99 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 0.00 0.00 0.00 38 E 8.42 3.43 0.00 1.16 1.33 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 0.00 1.83 1.80 0.00 39 A 8.57 5.03 1.11 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 0.00 0.00 40 Q 8.81 4.93 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.43 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 41 T 8.81 4.85 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 42 K 8.93 4.26 0.00 1.75 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.52 7.81 43 N 8.54 4.70 0.00 2.71 2.86 0.00 0.00 7.03 7.82 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 44 G 6.59 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 0.00 0.00 0.00 45 Q 8.45 5.62 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.11 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 46 G 7.08 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 0.00 0.00 0.00 47 W 8.46 5.10 0.00 3.10 3.14 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 48 V 8.98 4.75 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 0.97 0.00 0.00 0.97 0.00 0.00 49 P 0.00 3.94 0.00 1.43 1.19 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.71 0.00 50 S 8.72 4.20 0.00 3.96 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 51 N 8.10 4.85 0.00 2.92 2.97 0.00 0.00 5.97 7.55 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 52 Y 8.12 4.62 0.00 3.23 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 53 I 7.45 5.22 2.04 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.97 0.00 0.00 54 T 8.67 4.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 55 P 0.00 4.07 0.00 1.88 1.49 0.00 3.55 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 1.92 1.51 0.00 56 V 8.09 3.71 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 0.60 0.00 0.00 0.92 0.00 0.00 57 N 8.80 4.14 0.00 2.96 2.90 0.00 0.00 6.99 7.64 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 58 S 7.55 4.09 0.00 3.72 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