NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 R 4.4403 8.2431 119.7111 56.0522 32.8069 175.5308 1 G 4.0805 7.5457 109.8238 44.9967 0.0000 175.1055 2 I 3.9561 8.4009 123.2341 61.3502 39.8014 176.2312 3 V 3.5320 7.7486 120.1339 65.8314 31.5442 177.8489 4 E 4.7196 7.8324 115.2574 55.8973 28.4623 176.9781 5 Q 4.4275 8.1115 118.8841 58.7484 32.9610 176.4882 6 C 4.7089 8.0737 112.2743 57.2284 41.7317 174.0208 7 C 4.4907 8.0042 117.6665 61.3007 32.6307 174.9031 8 T 4.0685 8.2138 116.4084 65.8495 68.6910 173.4358 9 S 5.1472 7.1707 115.0996 57.1022 63.9454 172.5201 10 I 4.7201 8.2296 118.5965 59.7100 40.2320 173.5567 11 C 5.3056 8.7197 116.2710 51.9854 41.3580 174.0555 12 S 4.7303 8.2973 116.4984 56.3993 66.2274 174.6750 13 L 3.8068 8.3969 122.3554 58.9400 41.2744 178.3934 14 Y 4.1321 7.9250 114.0255 60.3097 38.1646 176.9303 15 Q 4.2194 7.7963 119.6992 57.5346 29.1230 176.6077 16 L 4.5002 7.7870 120.3318 56.6522 42.5775 177.6893 17 E 4.0127 7.9841 118.2031 58.7015 29.2314 178.3981 18 N 4.3620 8.1381 115.2956 55.6343 38.4085 175.1761 19 Y 4.3936 7.5027 114.5564 58.5222 38.6174 175.5531 20 C 4.3837 7.7463 117.8292 59.1999 29.0095 173.4561 21 N 4.5412 8.5601 117.9011 53.7832 38.1816 175.3532 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 4.44 0.00 1.84 2.04 0.00 3.33 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 1 G 7.55 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.96 1.03 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.15 0.71 0.00 0.00 3 V 7.75 3.53 2.06 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 0.94 0.00 0.00 0.88 0.00 0.00 4 E 7.83 4.72 0.00 2.13 2.03 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 2.29 2.26 0.00 5 Q 8.11 4.43 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 6 C 8.07 4.71 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.49 0.00 2.88 3.11 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 8 T 8.21 4.07 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 7.17 5.15 0.00 3.80 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.23 4.72 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 1.48 0.80 0.93 0.00 0.00 11 C 8.72 5.31 0.00 3.07 3.04 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 0.00 0.00 0.00 12 S 8.30 4.73 0.00 4.19 4.12 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 13 L 8.40 3.81 0.00 1.60 1.41 0.79 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.93 4.13 0.00 2.95 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 15 Q 7.80 4.22 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 16 L 7.79 4.50 0.00 2.10 1.78 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.98 4.01 0.00 2.03 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 0.00 2.29 2.50 0.00 18 N 8.14 4.36 0.00 2.32 2.58 0.00 0.00 6.91 7.46 0.00 0.00 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 7.50 4.39 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.38 0.00 3.07 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 8.56 4.54 0.00 2.72 2.74 0.00 0.00 6.80 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