NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2610 8.2493 123.5821 51.8218 19.8915 176.1838 2 R 4.0261 8.4081 117.8841 53.8327 30.0285 174.8421 3 T 4.4050 8.3336 113.4215 59.9250 71.8496 176.7160 4 K 4.4120 8.2027 124.0960 54.3014 31.9436 174.7217 5 Q 4.3875 7.6824 132.7828 56.5132 35.0701 176.0390 6 T 3.8768 9.4191 112.3954 64.4638 68.3110 173.9440 7 A 4.0573 8.0306 123.1953 52.8891 18.5051 177.9047 8 R 3.9207 7.8300 113.5192 56.1857 28.4001 176.3504 9 K 3.9567 8.2507 113.8680 56.8739 31.6670 174.3783 10 S 4.5055 7.5739 110.5243 58.3103 65.9666 174.3211 11 T 3.9716 8.5703 120.1413 64.0943 69.1571 174.2947 12 G 4.4116 8.1644 124.8523 44.7586 0.0000 175.2943 13 G 4.0164 8.3244 109.5789 43.8939 0.0000 171.2789 14 K 3.8092 8.1665 121.4228 55.5917 33.0094 173.8931 15 A 4.5198 7.9660 122.1464 50.0863 21.7570 174.7733 16 P 4.3285 0.0000 0.0000 63.2108 29.9296 175.7277 17 R 4.4062 7.6346 117.6163 55.2280 31.1249 173.3273 18 K 4.0792 8.3817 122.9994 55.4774 32.8269 177.0338 19 Q 4.0081 8.5516 125.1950 55.6988 29.5602 175.6100 20 L 4.1331 8.5207 125.9376 55.4430 42.0932 176.2916 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 8.25 4.26 1.27 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 0.00 0.00 0.00 2 R 8.41 4.03 0.00 2.01 1.96 0.00 3.03 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 3 T 8.33 4.41 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 1.26 0.00 0.00 4 K 8.20 4.41 0.00 1.74 1.79 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.42 7.81 5 Q 7.68 4.39 0.00 2.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 6 T 9.42 3.88 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 7 A 8.03 4.06 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 8 R 7.83 3.92 0.00 1.91 2.00 0.00 3.29 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 9 K 8.25 3.96 0.00 1.93 1.94 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 S 7.57 4.51 0.00 3.96 3.82 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 0.00 0.00 0.00 0.00 11 T 8.57 3.97 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 12 G 8.16 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.32 4.02 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 0.00 0.00 0.00 14 K 8.17 3.81 0.00 1.87 1.81 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.48 7.81 15 A 7.97 4.52 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 16 P 0.00 4.33 0.00 2.05 2.06 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 17 R 7.63 4.41 0.00 1.68 1.78 0.00 3.29 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 18 K 8.38 4.08 0.00 1.78 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.43 7.81 19 Q 8.55 4.01 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 20 L 8.52 4.13 0.00 1.62 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00