NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0395 8.0131 120.7619 60.4552 38.3124 174.9327 3 G 3.6815 8.7355 118.2345 44.4784 0.0000 171.9558 4 R 4.0613 9.7498 123.2566 59.4538 31.0714 176.8198 5 N 4.6373 8.0324 111.4414 54.1908 39.1568 174.9548 6 E 4.2155 8.1500 121.1381 55.0814 30.9627 174.2415 7 P 4.6003 0.0000 0.0000 63.1808 32.0171 175.6757 8 C 4.3628 8.8639 125.2094 58.7967 32.3317 172.4812 9 P 4.5130 0.0000 0.0000 63.4158 29.4503 175.5801 10 C 5.4617 9.5303 135.0000 61.5454 30.7970 175.2099 11 G 4.1566 7.9503 108.1012 48.4009 0.0000 177.3872 12 S 4.2063 7.9221 120.5553 61.0931 62.4946 177.5587 13 G 4.2390 8.3592 107.8779 45.5619 0.0000 174.5185 14 K 4.2366 7.9119 118.6994 55.6907 32.9427 176.5979 15 K 4.4078 8.5445 121.5647 56.4208 32.8610 177.4024 16 Y 3.9777 9.6814 125.4899 60.8715 38.7162 178.6090 17 K 3.8505 7.8032 116.4001 58.6040 32.9460 177.1208 18 H 5.0111 8.7377 116.8431 55.5667 30.9133 173.3489 19 C 4.7698 7.8783 118.6238 60.5643 30.8726 174.5246 20 H 4.5321 9.7868 110.7283 55.9737 28.7134 175.5132 21 G 3.1053 7.6303 108.7747 45.0784 0.0000 174.5205 22 S 4.2896 7.3275 116.0635 58.2642 62.6721 178.9204 23 R 4.4711 8.3617 123.7185 55.9778 30.5561 176.9043 24 V 3.5876 7.7116 115.3799 60.7235 31.0745 179.7411 25 A 4.2228 8.4953 127.8901 51.6874 18.1561 177.0816 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 I 8.01 4.04 1.51 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.36 0.66 0.00 0.00 3 G 8.74 3.68 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 0.00 0.00 0.00 4 R 9.75 4.06 0.00 1.88 2.03 0.00 3.44 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 5 N 8.03 4.64 0.00 2.73 2.87 0.00 0.00 6.84 7.66 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 6 E 8.15 4.22 0.00 2.15 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 7 P 0.00 4.60 0.00 1.98 2.01 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 8 C 8.86 4.36 0.00 3.20 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 P 0.00 4.51 0.00 2.05 1.98 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 10 C 9.53 5.46 0.00 3.19 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.95 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.21 0.00 3.69 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 0.00 0.00 0.00 0.00 14 K 7.91 4.24 0.00 1.88 1.80 0.00 1.70 0.00 0.00 2.02 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.49 7.81 15 K 8.54 4.41 0.00 1.70 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.45 7.81 16 Y 9.68 3.98 0.00 2.92 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.80 3.85 0.00 1.82 1.83 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.01 7.81 18 H 8.74 5.01 0.00 3.17 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.88 4.77 0.00 2.93 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.79 4.53 0.00 3.31 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.63 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 0.00 0.00 0.00 22 S 7.33 4.29 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 4.47 0.00 1.73 1.90 0.00 3.33 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 24 V 7.71 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 25 A 8.50 4.22 1.23 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 0.00 0.00 0.00