NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2901 8.1014 119.6988 55.7184 31.8921 176.0182 4 G 3.5220 8.6399 108.1286 46.3858 0.0000 171.1828 5 V 2.4341 7.2985 121.6006 63.7298 31.7393 176.9833 6 V 3.4153 7.3933 118.4739 65.7608 30.0479 177.0946 7 D 4.2993 7.8012 117.6686 57.7742 40.7814 178.6484 8 S 4.4872 7.8980 114.1268 60.7712 63.0292 174.9416 9 C 5.0347 8.1933 117.0487 55.3449 41.7260 174.2676 10 C 4.5572 7.7563 117.7129 61.1079 32.9926 175.3987 11 R 4.1879 8.1561 117.2488 57.2493 30.2234 175.8840 12 N 5.0528 7.1495 115.3438 51.4545 43.0611 173.8208 13 S 4.6576 8.3501 114.3910 58.0143 64.2369 172.2827 14 C 5.0918 8.2056 115.1719 52.6428 40.0944 174.4146 15 S 4.5339 8.3276 115.5146 58.0162 64.8644 174.9557 16 F 4.1937 8.8034 124.4802 61.5179 39.2925 177.4486 17 S 4.1316 8.2066 113.4723 61.5390 62.5448 176.6270 18 T 3.8265 7.6230 118.5123 66.2802 68.5293 175.9129 19 L 4.1595 7.7152 122.1004 58.5495 42.0666 179.3148 20 R 3.7505 7.7273 117.4205 59.1203 29.6934 178.8386 21 A 4.0202 7.5363 119.0318 54.4858 18.4181 178.2808 22 Y 4.2870 7.5158 113.3006 58.0013 38.5254 175.7798 23 C 4.4179 7.1314 118.1960 59.2882 28.9478 173.3476 24 D 4.5993 8.4043 122.2579 54.4247 41.2138 176.8734 25 S 4.2248 8.3007 115.8401 58.6109 63.2048 173.7686 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 3 R 8.10 4.29 0.00 1.80 1.86 0.00 3.04 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 4 G 8.64 3.52 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 0.00 5 V 7.30 2.43 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.68 0.00 0.00 6 V 7.39 3.42 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 1.05 0.00 0.00 0.86 0.00 0.00 7 D 7.80 4.30 0.00 2.82 2.77 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 0.00 0.00 0.00 8 S 7.90 4.49 0.00 3.79 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 9 C 8.19 5.03 0.00 2.94 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 10 C 7.76 4.56 0.00 2.89 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 4.19 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 12 N 7.15 5.05 0.00 2.94 2.65 0.00 0.00 6.59 7.45 0.00 0.00 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 S 8.35 4.66 0.00 3.99 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 14 C 8.21 5.09 0.00 3.09 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.53 0.00 4.14 4.08 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 0.00 0.00 0.00 0.00 16 F 8.80 4.19 0.00 3.15 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.13 0.00 4.10 4.18 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 18 T 7.62 3.83 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 19 L 7.72 4.16 0.00 1.72 1.56 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.73 3.75 0.00 1.85 1.83 0.00 3.16 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.41 0.00 21 A 7.54 4.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.29 0.00 3.12 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.13 4.42 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.60 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.30 4.22 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00