NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5511 8.3349 115.4110 58.2605 64.4837 173.7891 2 Q 3.8436 8.8670 122.3734 58.6637 29.0031 176.1257 3 G 4.0141 8.5692 103.8766 45.5298 0.0000 172.1251 4 T 4.4996 7.5701 106.9872 60.3696 71.7403 176.5807 5 T 2.4800 8.6973 123.5399 62.0660 67.9903 173.9045 6 S 3.8078 9.0766 110.7923 61.3291 62.7197 173.3536 7 E 3.9348 8.0338 122.0157 59.4751 29.4327 178.5533 8 Y 2.3900 7.3869 116.9643 59.1501 37.9537 177.2936 9 S 4.0316 7.5836 115.3351 61.1774 62.2285 176.5132 10 K 3.8637 7.3448 120.1944 59.5768 31.7145 178.1691 11 Y 4.6297 7.1814 115.5742 56.8936 37.8392 176.2948 12 L 4.8356 7.3208 121.5215 55.4974 45.2886 175.7797 13 D 5.0598 7.5618 120.1537 54.8379 40.9887 178.4631 14 S 4.6729 8.8577 114.9363 58.1885 61.5638 175.1162 15 R 3.9195 9.4417 131.2330 60.9320 29.4727 176.6655 16 R 4.0463 8.0931 116.6217 59.2255 30.0934 178.7862 17 A 4.3991 7.9316 121.4926 54.7182 18.3375 179.7638 18 Q 4.0523 8.1634 116.8340 59.1587 28.7525 178.5623 19 D 4.4696 8.1821 119.5234 57.4305 40.9007 178.6179 20 F 4.0338 8.8212 118.5614 60.6781 38.8518 178.2419 21 V 3.7267 8.2488 112.1016 64.4223 31.4032 178.1869 22 Q 3.9651 8.2907 119.3782 59.0698 28.6873 178.5452 23 W 3.9548 8.4677 129.1746 60.3806 30.6442 177.4619 24 L 2.8970 7.8352 120.5942 57.4078 41.4252 178.8015 25 M 4.0700 7.8241 117.2097 58.5908 32.0630 178.0660 26 N 4.3652 7.6742 115.3331 56.3464 38.6400 175.7970 27 T 4.0296 7.7493 115.6528 61.8901 68.8951 174.3244 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 S 8.33 4.55 0.00 4.09 3.88 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 2 Q 8.87 3.84 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 5.71 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 3 G 8.57 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 4 T 7.57 4.50 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 5 T 8.70 2.48 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 6 S 9.08 3.81 0.00 3.74 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.93 0.00 1.99 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 2.30 2.49 0.00 8 Y 7.39 2.39 0.00 2.43 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.03 0.00 3.70 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.34 3.86 0.00 1.83 1.80 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.46 7.81 11 Y 7.18 4.63 0.00 1.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 4.84 0.00 1.58 1.83 0.96 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.56 5.06 0.00 2.80 1.89 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 14 S 8.86 4.67 0.00 3.93 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.44 3.92 0.00 1.86 1.99 0.00 3.38 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 16 R 8.09 4.05 0.00 2.12 2.02 0.00 3.21 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 17 A 7.93 4.40 1.52 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 0.00 0.00 0.00 18 Q 8.16 4.05 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 19 D 8.18 4.47 0.00 3.10 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.03 0.00 3.37 3.25 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 0.00 21 V 8.25 3.73 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.10 0.00 0.00 22 Q 8.29 3.97 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 23 W 8.47 3.95 0.00 3.33 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.84 2.90 0.00 1.74 1.86 0.68 1.30 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 25 M 7.82 4.07 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 26 N 7.67 4.37 0.00 2.74 2.82 0.00 0.00 7.20 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.75 4.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00