NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 R 4.3280 8.2431 119.7157 54.2617 32.0111 174.8759 1 G 3.8057 7.3887 105.8199 44.5259 0.0000 170.9985 2 I 3.2913 8.0405 117.7844 63.6262 38.5146 176.7978 3 V 3.4891 7.6395 118.6114 66.3279 30.9257 177.6604 4 E 3.9899 8.0214 116.1344 59.4796 29.5066 178.8596 5 Q 4.1859 7.9114 116.3074 58.7285 29.0992 176.7041 6 C 4.7267 8.5979 115.9408 57.2713 40.9295 174.1710 7 C 4.0549 7.6347 116.4496 60.9849 27.8465 174.0319 8 T 4.2564 7.3100 115.5186 64.4614 69.4298 174.6550 9 S 4.5836 7.5284 118.0627 56.9668 64.7655 174.2859 10 I 3.8695 8.1290 115.5898 61.1780 38.0144 175.8355 11 C 5.0806 8.4919 120.0853 55.2326 43.2633 174.9193 12 S 4.5207 8.7525 120.4108 57.3811 65.2028 174.9336 13 L 3.8889 8.2735 122.2341 58.2546 41.2956 178.4072 14 Y 4.1013 7.6725 115.7629 61.0372 37.7902 177.4005 15 Q 4.2251 7.9425 117.9936 59.0855 28.7031 178.9661 16 L 4.3134 8.1679 119.9027 57.5598 41.5429 178.8381 17 E 4.2153 8.1213 117.2977 58.2112 29.1178 178.4451 18 N 4.3967 7.6754 115.7031 55.3474 38.6804 175.2112 19 Y 4.4596 7.3396 116.2506 58.1161 37.9925 175.1656 20 C 4.5890 7.3739 118.5125 58.4642 29.7239 173.6137 21 N 4.5417 8.5008 117.1423 53.8042 38.2257 175.5046 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 0 R 8.24 4.33 0.00 1.84 2.04 0.00 3.29 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 1 G 7.39 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 2 I 8.04 3.29 0.56 0.00 0.00 0.41 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 0.35 0.62 0.00 0.00 3 V 7.64 3.49 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.02 3.99 0.00 1.97 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 2.32 2.43 0.00 5 Q 7.91 4.19 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 6 C 8.60 4.73 0.00 2.94 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 7 C 7.63 4.05 0.00 3.13 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 8 T 7.31 4.26 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 9 S 7.53 4.58 0.00 3.99 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 10 I 8.13 3.87 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.92 0.00 0.00 11 C 8.49 5.08 0.00 2.97 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 12 S 8.75 4.52 0.00 4.21 4.11 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 13 L 8.27 3.89 0.00 1.54 1.24 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.67 4.10 0.00 3.03 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 15 Q 7.94 4.23 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 16 L 8.17 4.31 0.00 1.86 1.77 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.12 4.22 0.00 2.02 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 2.30 2.61 0.00 18 N 7.68 4.40 0.00 2.33 2.50 0.00 0.00 6.95 7.34 0.00 0.00 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 Y 7.34 4.46 0.00 3.11 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 20 C 7.37 4.59 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.54 0.00 2.72 2.73 0.00 0.00 6.76 7.56 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