NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9904 8.2127 109.7425 45.4609 0.0000 173.4632 2 I 2.6716 7.8183 117.4912 62.9378 37.4685 173.8242 3 V 3.4521 7.6263 118.9804 65.8842 31.9786 176.9673 4 E 3.8937 8.0528 118.5591 59.5457 29.2965 178.6754 5 Q 4.0809 8.1074 116.9218 58.2797 28.9403 176.8787 6 C 4.8455 8.4133 115.3329 56.8140 42.1113 174.3917 7 C 4.4004 7.9317 119.4321 61.5678 32.2171 175.0551 8 T 3.9414 7.9575 114.2580 66.5432 68.2163 174.9974 9 S 4.6726 7.7034 115.1654 57.1925 64.9971 172.9166 10 I 4.4800 8.1192 121.4774 59.9558 38.7017 174.2787 11 C 5.2321 8.5743 119.2898 53.4527 44.3100 174.1520 12 S 4.6480 8.8988 116.9848 57.1743 65.3529 175.0631 13 L 3.9437 8.4279 123.2681 58.6268 41.4827 178.3286 14 Y 4.0420 8.0133 117.4969 60.8971 38.9700 177.5830 15 Q 4.0831 8.2926 118.9805 58.9535 28.8126 178.6427 16 L 4.1869 8.3353 121.6458 58.1856 42.1220 178.8128 17 E 3.9255 8.4771 118.8171 59.1217 29.0675 178.4146 18 N 3.8856 7.2527 116.6959 56.6953 38.8632 175.4052 19 Y 4.4507 7.4837 114.5587 57.3417 38.7087 175.7755 20 C 4.2700 7.2840 118.2675 60.1060 29.0146 173.2460 21 N 4.4472 8.7397 119.2712 54.2853 39.5489 173.8691 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 7.82 2.67 0.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.62 0.00 0.00 3 V 7.63 3.45 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 1.01 0.00 0.00 0.86 0.00 0.00 4 E 8.05 3.89 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 5 Q 8.11 4.08 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 6 C 8.41 4.85 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.40 0.00 2.87 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 7.96 3.94 4.40 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 1.21 0.00 0.00 9 S 7.70 4.67 0.00 4.12 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.48 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 0.58 0.93 0.00 0.00 11 C 8.57 5.23 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.65 0.00 4.12 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.94 0.00 1.82 1.78 0.95 0.76 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 8.01 4.04 0.00 2.98 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 15 Q 8.29 4.08 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 16 L 8.34 4.19 0.00 1.91 1.86 0.97 1.29 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 8.48 3.93 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 18 N 7.25 3.89 0.00 2.23 2.37 0.00 0.00 7.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.48 4.45 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.27 0.00 3.06 2.86 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 21 N 8.74 4.45 0.00 2.74 2.69 0.00 0.00 6.87 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