NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4952 8.3349 116.8121 58.7936 65.0052 174.6089 16 M 4.1334 8.0382 117.8548 55.1789 33.1987 174.0674 17 W 5.1102 9.1333 119.3405 55.1773 32.4034 175.5546 18 T 4.7011 8.8940 119.5351 61.9387 71.1955 172.7179 19 E 5.2153 8.6379 124.5081 54.7130 31.8673 175.0221 20 H 4.8547 7.7006 116.7886 54.0730 33.5437 173.0256 21 K 4.5379 8.6740 120.0946 57.8272 33.0303 175.8550 22 S 4.6889 9.6669 116.8772 57.8429 67.3837 173.1617 23 P 4.2785 0.0000 0.0000 62.6782 32.1369 177.1486 24 D 4.4634 9.1033 118.9229 53.7566 40.5547 173.4336 25 G 3.7645 7.9185 104.7050 46.9698 0.0000 172.8907 26 R 4.7177 7.9714 113.8573 54.6672 34.0259 174.2534 27 T 5.2172 8.5994 114.4007 60.7295 68.9462 173.0805 28 Y 4.5752 8.6469 126.7514 55.5782 41.1543 173.9513 29 Y 4.8365 8.6234 118.8635 56.8033 40.2103 174.0933 30 Y 5.0249 8.8824 127.2269 55.7947 40.6140 174.3179 31 N 3.8672 8.8374 128.0359 53.3629 39.0050 175.5749 32 T 2.9520 7.8115 117.6867 64.6204 68.6464 175.4315 33 E 3.8982 7.4986 121.9801 58.6947 30.0754 177.8389 34 T 3.7549 7.2538 114.8442 64.9255 68.9796 174.5248 35 K 3.8116 8.1080 118.1603 57.5219 29.0511 177.2079 36 Q 4.4866 7.4204 120.4310 54.7190 31.2601 174.7098 37 S 5.6099 8.5200 123.6564 58.0131 64.1936 173.3957 38 T 3.9591 8.8651 118.5331 61.4193 71.6856 172.4525 39 W 5.3079 8.3792 124.7540 55.8299 28.6749 175.4876 40 E 4.6662 8.4276 119.3451 55.0373 31.1339 175.7392 41 K 3.6340 8.3701 118.9482 56.0298 31.6740 175.7284 42 P 3.2435 0.0000 0.0000 62.1210 31.0633 176.6085 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 15 S 8.33 4.50 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.04 4.13 0.00 1.80 2.06 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 17 W 9.13 5.11 0.00 3.11 3.24 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 18 T 8.89 4.70 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 19 E 8.64 5.22 0.00 1.46 1.83 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 2.03 2.00 0.00 20 H 7.70 4.85 0.00 2.90 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.67 4.54 0.00 1.70 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.61 7.81 22 S 9.67 4.69 0.00 4.35 4.11 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 23 P 0.00 4.28 0.00 2.37 2.04 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 24 D 9.10 4.46 0.00 2.70 2.52 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 25 G 7.92 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 0.00 0.00 0.00 26 R 7.97 4.72 0.00 1.58 1.73 0.00 2.36 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 27 T 8.60 5.22 4.25 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 1.14 0.00 0.00 28 Y 8.65 4.58 0.00 2.25 1.43 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 0.00 29 Y 8.62 4.84 0.00 3.17 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 30 Y 8.88 5.02 0.00 3.28 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 31 N 8.84 3.87 0.00 1.44 1.96 0.00 0.00 5.98 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.81 2.95 4.06 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 1.00 0.00 0.00 33 E 7.50 3.90 0.00 1.81 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 2.17 2.24 0.00 34 T 7.25 3.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 35 K 8.11 3.81 0.00 1.89 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.54 7.81 36 Q 7.42 4.49 0.00 2.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.60 2.76 0.00 37 S 8.52 5.61 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.87 3.96 4.29 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 1.46 0.00 0.00 39 W 8.38 5.31 0.00 3.37 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.43 4.67 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 41 K 8.37 3.63 0.00 1.58 1.67 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 42 P 0.00 3.24 0.00 0.98 0.49 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.53 0.00