NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9941 8.2127 109.7436 45.4978 0.0000 173.3290 2 I 2.9907 8.1093 117.8064 63.1701 37.5825 173.6144 3 V 3.4844 8.3765 119.8614 66.0196 31.7967 177.1500 4 E 3.9463 8.0632 117.6191 59.5311 29.1777 179.2239 5 Q 3.9836 7.7388 115.8701 58.9679 29.0369 177.5540 6 C 4.7361 8.4763 114.2295 57.2021 41.2997 174.4020 7 C 4.4387 7.7399 118.2969 61.5380 32.4087 174.9601 8 T 4.0470 8.5282 117.1464 67.3781 68.6035 173.6862 9 S 5.0221 7.9136 113.7220 56.5389 65.5052 172.4572 10 I 4.5223 8.2473 119.6085 60.2051 39.4400 175.4073 11 C 4.8763 8.5443 121.7946 55.4023 41.8972 174.5573 12 S 4.5637 8.3015 118.7391 57.3594 65.4317 174.8910 13 L 3.7654 8.3063 123.4191 58.7457 41.3063 178.7506 14 Y 4.0489 7.2595 114.7952 61.1472 38.0397 178.0914 15 Q 4.3101 8.1074 118.6636 58.8933 28.8189 178.4492 16 L 4.1544 8.0494 121.3891 58.3075 42.1077 178.8575 17 E 4.0909 8.1610 117.7697 58.9530 29.0741 178.8543 18 N 4.2297 7.6266 116.1909 55.7052 38.4953 175.1956 19 Y 4.5131 7.3021 115.5853 57.9930 38.2449 175.3741 20 C 4.5132 7.6020 118.5696 59.1416 29.2802 173.5435 21 N 4.5452 8.4969 117.1133 53.7090 38.3085 175.5205 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 G 8.21 3.99 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 0.00 0.00 0.00 2 I 8.11 2.99 0.56 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.63 0.00 0.00 3 V 8.38 3.48 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.06 3.95 0.00 2.02 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 2.65 2.36 0.00 5 Q 7.74 3.98 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 6 C 8.48 4.74 0.00 2.90 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.44 0.00 2.91 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 8 T 8.53 4.05 4.52 0.00 0.00 0.00 0.00 0.00 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 7.91 5.02 0.00 3.92 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 10 I 8.25 4.52 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.92 0.00 0.00 11 C 8.54 4.88 0.00 2.97 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 12 S 8.30 4.56 0.00 4.14 4.06 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 0.00 0.00 0.00 0.00 13 L 8.31 3.77 0.00 1.57 1.26 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.26 4.05 0.00 3.17 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 15 Q 8.11 4.31 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 16 L 8.05 4.15 0.00 1.92 1.78 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.16 4.09 0.00 2.28 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 2.28 2.56 0.00 18 N 7.63 4.23 0.00 2.33 2.26 0.00 0.00 6.95 7.50 0.00 0.00 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 7.30 4.51 0.00 3.17 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 7.60 4.51 0.00 2.99 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 4.55 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