NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.4116 8.2033 119.1314 54.4580 30.1299 175.7305 5 I 3.6262 8.4206 121.2005 64.4047 36.9989 175.5032 6 E 3.9743 8.3630 119.2728 59.4822 29.6904 178.3313 7 Y 4.1554 7.9745 119.2285 60.3431 38.9243 177.0057 8 L 3.7202 8.0872 121.1540 58.1915 42.0606 178.8819 9 A 3.9092 8.2227 120.7978 54.9026 18.2138 179.4339 10 K 3.7795 7.9291 118.1080 59.8450 32.2969 179.0519 11 Q 3.8203 7.8168 118.3523 58.8596 28.5623 178.9028 12 I 3.6558 7.8528 121.0369 64.2806 37.0945 178.7052 13 V 3.5620 7.9586 119.2803 66.1630 31.4159 177.8020 14 D 4.3186 8.3748 119.0558 57.3852 40.5873 178.3681 15 N 4.3029 8.3197 117.3989 56.4988 38.9434 176.8677 16 A 3.9849 8.1184 122.3125 55.1304 18.5037 179.7330 17 I 3.6751 7.9962 118.4964 64.6091 36.9588 178.6363 18 Q 4.0269 7.9499 117.8169 59.1848 28.6038 178.7286 19 Q 4.1134 8.1388 117.9423 58.7522 28.7774 178.2849 20 A 4.1303 7.8004 121.2399 54.6869 18.4493 178.0423 21 K 4.2390 7.7523 120.4126 56.8348 32.3395 176.8383 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 4 Q 8.20 4.41 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 5 I 8.42 3.63 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.63 0.92 0.00 0.00 6 E 8.36 3.97 0.00 2.11 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 0.00 2.42 2.44 0.00 7 Y 7.97 4.16 0.00 3.06 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 8 L 8.09 3.72 0.00 1.80 1.79 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.22 3.91 1.37 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 0.00 0.00 0.00 10 K 7.93 3.78 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.48 7.81 11 Q 7.82 3.82 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 1.97 1.42 0.00 12 I 7.85 3.66 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.96 0.88 0.00 0.00 13 V 7.96 3.56 2.11 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 1.09 0.00 0.00 0.93 0.00 0.00 14 D 8.37 4.32 0.00 2.73 2.68 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 0.00 0.00 0.00 15 N 8.32 4.30 0.00 2.85 2.96 0.00 0.00 7.09 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 A 8.12 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.68 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.91 0.00 0.00 18 Q 7.95 4.03 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 19 Q 8.14 4.11 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 20 A 7.80 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.24 0.00 1.92 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.62 7.81