NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0108 8.2127 109.7438 45.4636 0.0000 173.9086 2 I 3.0969 8.2716 117.8231 63.2477 37.7066 173.8377 3 V 3.5008 8.3558 119.9926 65.8971 31.6781 177.2384 4 E 3.9446 7.9989 116.5582 59.6490 29.5138 178.7786 5 Q 4.1536 8.2560 118.3148 58.4097 29.2437 176.3563 6 C 5.1057 8.1719 115.7653 55.9359 42.1363 174.3328 7 C 4.1949 8.0169 116.7129 60.6443 28.7628 175.2492 8 T 4.1327 7.9822 115.9795 65.5592 68.3249 174.7339 9 S 4.7695 7.5447 114.4066 55.7593 65.4751 172.8679 10 I 4.0235 8.2789 126.5155 61.6350 37.3416 176.3087 11 C 4.9388 8.5380 123.1054 55.5714 41.6206 174.4534 12 S 4.4781 9.1800 119.7097 57.7950 64.8890 175.4790 13 L 3.8982 8.2273 122.1021 58.1809 41.0413 179.3442 14 Y 4.3572 7.4308 115.1675 61.3827 38.0355 178.3532 15 Q 4.2184 8.4235 118.8897 59.0651 28.7637 178.8987 16 L 4.3121 8.4009 120.2086 57.6523 41.5296 179.0990 17 E 3.9886 8.3315 119.3503 59.0705 29.2817 178.3844 18 N 4.2332 7.7920 115.6830 55.7545 38.5610 175.6820 19 Y 4.4442 7.7388 116.3251 57.3839 38.5496 175.5232 20 C 4.4657 7.4495 118.4319 59.1628 29.0694 173.5131 21 N 4.5330 8.6159 118.0049 53.8281 38.0877 175.2529 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 4.01 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 0.00 0.00 0.00 2 I 8.27 3.10 0.63 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 0.66 0.00 0.00 3 V 8.36 3.50 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.00 3.94 0.00 2.15 2.01 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 2.32 2.43 0.00 5 Q 8.26 4.15 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.17 5.11 0.00 3.04 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 7 C 8.02 4.19 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.13 4.25 0.00 0.00 0.00 0.00 0.00 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 7.54 4.77 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.02 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 1.41 0.65 0.91 0.00 0.00 11 C 8.54 4.94 0.00 2.98 3.06 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 12 S 9.18 4.48 0.00 4.01 4.04 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 13 L 8.23 3.90 0.00 1.44 1.52 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.43 4.36 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.22 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.40 4.31 0.00 1.86 1.80 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.33 3.99 0.00 2.42 2.01 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 2.35 2.40 0.00 18 N 7.79 4.23 0.00 2.51 2.56 0.00 0.00 6.99 8.33 0.00 0.00 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 7.74 4.44 0.00 3.12 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 20 C 7.45 4.47 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.53 0.00 2.72 2.75 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