NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2993 8.2993 119.9963 56.3491 33.9501 175.2007 2 T 3.8131 8.1794 110.1104 59.4617 69.1804 171.0825 3 E 4.1101 9.3163 123.1696 56.1506 31.1440 178.0091 4 Q 4.0915 8.4115 119.8626 55.1944 29.3864 174.8490 5 P 4.3525 0.0000 0.0000 63.0898 31.8576 176.0987 6 L 4.6086 8.4453 119.8415 54.5050 42.3177 176.1609 7 S 4.7900 7.4996 114.0497 55.8271 66.4349 172.4896 8 P 4.1710 0.0000 0.0000 64.8022 31.7153 176.2929 9 Y 4.9926 7.3572 117.5894 57.7335 38.6456 177.0758 10 T 4.1063 8.1006 109.6982 63.4042 69.2447 175.0050 11 A 3.9795 7.7704 124.4577 53.9273 18.9126 176.7146 12 Y 4.9156 7.5048 114.1700 55.9729 40.0651 176.3564 13 D 4.4129 9.1288 123.9161 57.8966 40.8326 177.6064 14 D 4.6367 8.2175 115.9045 53.7518 40.9747 176.8661 15 L 4.1715 8.3574 117.9501 55.0641 39.7200 174.1511 16 K 4.5888 7.4902 115.9762 54.5741 35.4922 173.9614 17 P 3.4961 0.0000 0.0000 61.9037 31.5927 175.3521 18 P 4.1294 0.0000 0.0000 65.2894 31.6754 175.6794 19 S 4.3703 6.9988 110.7518 56.9792 65.0714 173.5145 20 S 4.2500 8.2886 118.0859 57.4635 62.5210 172.0065 21 P 4.5598 0.0000 0.0000 63.7131 31.8568 176.7146 22 S 4.6876 7.7005 115.1754 55.3411 62.6630 171.4434 23 P 4.2014 0.0000 0.0000 63.0112 32.1521 176.7253 24 T 4.1093 8.1955 118.4387 63.2545 69.1353 174.8782 25 K 4.2794 8.2740 124.2534 55.0835 33.1196 175.4919 26 P 4.4084 0.0000 0.0000 63.2790 31.2140 176.5143 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 K 8.30 4.30 0.00 1.87 1.88 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 2 T 8.18 3.81 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 1.20 0.00 0.00 3 E 9.32 4.11 0.00 2.09 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 2.27 2.33 0.00 4 Q 8.41 4.09 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 5 P 0.00 4.35 0.00 2.30 2.03 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 6 L 8.45 4.61 0.00 1.62 1.69 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.50 4.79 0.00 3.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 1.06 1.82 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.72 0.00 9 Y 7.36 4.99 0.00 3.33 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.11 4.24 0.00 0.00 0.00 0.00 0.00 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 11 A 7.77 3.98 0.91 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 0.00 0.00 12 Y 7.50 4.92 0.00 3.21 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.13 4.41 0.00 2.72 2.80 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 0.00 0.00 0.00 0.00 14 D 8.22 4.64 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.17 0.00 1.86 1.85 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.49 4.59 0.00 1.77 1.71 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.50 1.29 7.81 17 P 0.00 3.50 0.00 1.70 1.67 0.00 3.16 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.00 18 P 0.00 4.13 0.00 2.01 1.91 0.00 2.86 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 19 S 7.00 4.37 0.00 3.71 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 20 S 8.29 4.25 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.22 2.14 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 22 S 7.70 4.69 0.00 3.83 3.80 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 0.00 0.00 0.00 0.00 23 P 0.00 4.20 0.00 2.02 2.01 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 24 T 8.20 4.11 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 1.20 0.00 0.00 25 K 8.27 4.28 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 P 0.00 4.41 0.00 2.03 1.98 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00