NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4786 8.1933 115.4126 58.3691 65.3050 175.8553 3 I 3.5678 7.6411 121.7964 63.6445 36.8871 176.9274 4 R 3.9399 8.1079 118.8055 58.9409 30.3832 178.1461 5 E 3.9984 8.1118 118.9469 58.9149 29.6396 178.6465 6 L 3.9582 7.9097 119.2158 57.6265 41.6348 178.7573 7 E 3.8802 8.3536 119.1913 59.4707 29.6065 178.7342 8 A 3.9888 7.8935 120.3439 55.3211 18.5364 179.8835 9 R 3.8919 7.9845 116.4666 59.3656 30.0779 179.3914 10 I 3.6903 8.0089 119.8351 64.3310 37.1040 178.1489 11 R 4.1543 8.1313 121.2244 59.0655 29.7751 178.3457 12 E 4.0510 8.0933 117.5028 59.2117 29.3644 179.3438 13 L 3.9940 7.8391 118.7124 57.7175 41.3828 179.2895 14 E 3.9367 8.3527 118.5606 59.4248 29.2370 179.1453 15 L 4.0216 7.9819 117.7362 58.1523 41.8328 179.5006 16 R 4.0443 8.0997 116.4807 59.5058 30.2035 177.4585 17 I 4.0020 8.2593 122.8581 61.7400 37.2573 175.8915 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 2 S 8.19 4.48 0.00 4.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.64 3.57 1.87 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 1.64 0.68 0.91 0.00 0.00 4 R 8.11 3.94 0.00 1.85 1.97 0.00 3.12 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 5 E 8.11 4.00 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 6 L 7.91 3.96 0.00 1.88 1.70 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.35 3.88 0.00 2.23 2.09 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 2.31 2.34 0.00 8 A 7.89 3.99 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.98 3.89 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 10 I 8.01 3.69 1.99 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 0.73 0.94 0.00 0.00 11 R 8.13 4.15 0.00 1.94 2.11 0.00 3.14 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 12 E 8.09 4.05 0.00 2.07 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 2.26 2.62 0.00 13 L 7.84 3.99 0.00 1.93 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.35 3.94 0.00 2.30 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 2.33 2.36 0.00 15 L 7.98 4.02 0.00 1.79 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.10 4.04 0.00 1.97 2.00 0.00 3.17 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 17 I 8.26 4.00 2.03 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 1.38 0.54 0.91 0.00 0.00