NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2908 8.2644 122.4573 51.5967 20.8548 176.2188 2 T 3.5555 8.2053 112.4506 63.8958 67.3866 172.5356 3 C 4.5242 8.2710 127.6972 55.7837 41.7876 173.3762 4 D 5.3404 8.5607 135.0000 55.1043 40.5676 176.9410 5 L 3.6767 7.1310 116.4419 58.6410 42.5055 177.2541 6 L 4.6435 7.2059 122.8526 54.0382 42.6916 176.4790 7 S 4.3357 7.8614 113.7366 57.9067 63.9319 173.1679 8 G 3.8648 8.8003 110.6977 47.0153 0.0000 173.1257 9 T 3.4752 9.0962 119.3595 63.7579 66.6254 172.8954 10 G 4.1433 7.8187 104.6464 43.7477 0.0000 174.7325 11 I 3.6299 7.9852 118.9592 61.5440 38.0190 175.4446 12 N 4.7521 8.4211 121.8158 53.2097 39.6720 174.5179 13 H 4.9564 8.5837 119.3097 54.7460 32.1231 175.1953 14 S 4.4208 8.2870 114.1849 61.0661 63.4510 175.4108 15 A 3.8802 8.1188 123.2359 55.4701 17.8692 179.6868 16 C 4.0347 8.2786 112.4788 60.3787 35.3067 176.6010 17 A 3.9453 8.0599 120.4171 54.3752 18.1602 179.1206 18 A 3.9923 8.5180 120.7652 55.3723 18.4960 179.3868 19 H 4.1599 8.3676 112.8993 58.8341 28.6906 176.9883 20 C 4.1165 7.8865 118.7869 59.8075 35.6447 175.4483 21 L 3.8798 7.6324 120.2110 58.2257 41.0870 179.4468 22 L 4.0255 7.5538 118.0661 58.4335 42.0530 179.0805 23 R 4.0998 7.6838 116.7817 57.0638 30.3925 176.9676 24 G 4.1850 8.4421 108.3678 46.5140 0.0000 172.3067 25 N 5.0999 7.8222 116.8213 51.3444 41.7213 174.2493 26 R 4.2990 10.1583 117.5167 56.4631 31.3318 176.2706 27 G 4.2822 7.1599 103.6943 44.2197 0.0000 171.3085 28 G 4.2770 7.7804 108.2334 45.8361 0.0000 171.5524 29 Y 4.7882 7.6290 114.7858 56.2923 41.5884 173.7884 30 C 4.5559 9.0716 118.9574 55.7291 39.4891 172.5320 31 N 4.4048 9.2457 123.2122 53.9049 39.0658 175.9005 32 G 3.7835 9.2155 114.3909 47.9979 0.0000 173.4808 33 K 4.2297 8.0264 119.6180 56.0782 31.9453 175.6646 34 A 3.6613 8.4668 118.8199 53.1071 16.1867 178.0346 35 V 4.6407 7.3919 117.8080 62.4601 36.0767 174.7033 36 C 4.9799 8.7232 125.2643 55.0725 39.4894 172.7560 37 V 4.2338 7.6868 126.9290 61.3779 33.3153 174.3979 38 C 5.4291 8.3376 128.8446 56.0024 43.2356 172.1100 39 R 4.6158 8.4819 112.5460 55.4436 32.6172 174.8229 40 N 4.7686 8.8926 120.8175 52.8037 37.2223 174.5820 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 8.26 4.29 1.21 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 0.00 0.00 0.00 2 T 8.21 3.56 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 1.19 0.00 0.00 3 C 8.27 4.52 0.00 3.09 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 D 8.56 5.34 0.00 2.68 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 5 L 7.13 3.68 0.00 1.66 1.59 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.21 4.64 0.00 1.53 1.52 0.92 0.88 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 7 S 7.86 4.34 0.00 3.85 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 8 G 8.80 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 9 T 9.10 3.48 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 1.21 0.00 0.00 10 G 7.82 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 0.00 0.00 0.00 0.00 11 I 7.99 3.63 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.78 0.00 0.00 12 N 8.42 4.75 0.00 2.65 2.67 0.00 0.00 6.81 7.96 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 13 H 8.58 4.96 0.00 3.15 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.29 4.42 0.00 4.06 4.13 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 15 A 8.12 3.88 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 16 C 8.28 4.03 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.95 1.49 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 0.00 0.00 0.00 18 A 8.52 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.37 4.16 0.00 3.29 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.89 4.12 0.00 3.17 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 21 L 7.63 3.88 0.00 1.98 1.73 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.55 4.03 0.00 1.67 1.71 0.93 0.85 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 23 R 7.68 4.10 0.00 1.96 1.93 0.00 3.36 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 24 G 8.44 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 25 N 7.82 5.10 0.00 2.78 2.83 0.00 0.00 6.97 7.65 0.00 0.00 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 R 10.16 4.30 0.00 1.79 2.03 0.00 3.28 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 27 G 7.16 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 0.00 0.00 0.00 0.00 28 G 7.78 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 0.00 0.00 0.00 0.00 29 Y 7.63 4.79 0.00 3.12 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 30 C 9.07 4.56 0.00 2.86 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 31 N 9.25 4.40 0.00 2.84 2.74 0.00 0.00 6.91 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.22 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 0.00 0.00 0.00 33 K 8.03 4.23 0.00 1.75 1.80 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 34 A 8.47 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.39 4.64 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 1.00 0.00 0.00 0.98 0.00 0.00 36 C 8.72 4.98 0.00 3.06 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 37 V 7.69 4.23 1.42 0.00 0.00 0.00 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 0.86 0.00 0.00 38 C 8.34 5.43 0.00 3.00 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 39 R 8.48 4.62 0.00 1.93 2.05 0.00 2.87 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 40 N 8.89 4.77 0.00 2.70 2.90 0.00 0.00 6.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00