NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7081 8.1700 119.7110 53.0869 41.1993 175.5823 2 H 3.8311 8.8865 117.6421 58.9028 29.3521 174.8353 3 Y 3.7526 8.4581 122.6242 60.6765 39.3237 177.0224 4 A 4.0905 8.7292 121.8777 55.4494 18.4722 178.5367 5 C 4.0976 8.5555 117.1572 60.0639 43.3360 176.0600 6 V 3.6040 7.7417 119.6412 65.9646 30.8714 177.8189 7 S 3.9150 7.9411 112.6535 60.9667 62.2413 175.4105 8 S 4.5377 7.7147 113.6478 58.1794 63.2539 174.9755 9 G 3.8381 8.2366 111.4600 45.2299 0.0000 173.8713 10 G 4.0970 7.6223 107.3703 45.5865 0.0000 173.0183 11 Q 4.7881 8.7554 116.6632 54.3591 32.1876 173.9245 12 C 4.9300 8.7345 118.9319 56.3525 38.9346 173.0470 13 L 4.9884 8.8307 123.8491 53.3221 44.8657 177.4328 14 Y 4.2970 9.1587 120.1809 59.5511 38.6950 175.3513 15 S 4.8695 7.7158 115.3058 56.7619 65.4597 173.4352 16 A 4.2365 8.2753 123.3775 52.6931 18.8255 178.5535 17 C 4.5131 8.3812 117.7301 56.0442 35.4228 172.2288 18 P 4.5816 0.0000 0.0000 61.5446 32.0796 175.7064 19 I 3.5260 7.7876 112.1672 62.4569 37.4710 176.1935 20 F 4.2305 8.4517 119.3132 58.1086 36.3607 174.5710 21 T 5.0103 7.6287 109.7735 59.8789 71.9573 172.9932 22 K 4.7302 8.1502 120.1268 55.0659 36.8473 175.1297 23 I 4.1846 8.2813 121.8502 61.9966 37.4142 176.9375 24 Q 4.2535 9.1953 126.6122 53.9266 29.9740 175.9044 25 G 3.7491 8.9527 111.2431 44.3501 0.0000 169.3061 26 T 5.0738 7.8498 107.0885 60.4090 72.2664 172.7168 27 C 4.6467 8.1572 117.4216 56.3667 44.2021 172.9106 28 Y 3.9738 8.6204 116.1699 60.1029 33.8917 170.4089 29 R 3.7607 8.7935 112.6807 57.3454 28.2928 178.2668 30 G 3.9524 8.3582 103.2603 45.8181 0.0000 175.2389 31 K 4.1459 8.1009 118.4435 57.4624 32.7351 176.3637 32 A 4.4836 7.7602 120.0846 49.7075 22.5605 175.1100 33 K 4.5833 8.5984 118.5651 54.9224 34.9963 175.5085 34 C 4.8392 8.7211 124.6344 56.2305 45.9201 171.5403 35 C 5.3076 9.1202 125.6525 55.3478 41.7292 174.1569 36 K 4.1730 8.7044 124.9132 56.7874 31.7309 175.4633 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 D 8.17 4.71 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.89 3.83 0.00 3.34 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.46 3.75 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 4.09 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.56 4.10 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.60 1.90 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 0.92 0.00 0.00 0.91 0.00 0.00 7 S 7.94 3.91 0.00 3.61 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.54 0.00 4.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 0.00 0.00 0.00 10 G 7.62 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.76 4.79 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 12 C 8.73 4.93 0.00 2.67 2.28 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 4.99 0.00 1.48 1.52 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.16 4.30 0.00 2.97 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 S 7.72 4.87 0.00 3.89 3.85 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 16 A 8.28 4.24 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 17 C 8.38 4.51 0.00 2.96 3.02 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 18 P 0.00 4.58 0.00 2.21 2.18 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 19 I 7.79 3.53 1.05 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 1.17 -0.04 0.68 0.00 0.00 20 F 8.45 4.23 0.00 3.32 3.17 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 21 T 7.63 5.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 22 K 8.15 4.73 0.00 1.79 1.90 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.46 7.81 23 I 8.28 4.18 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.88 0.00 0.00 24 Q 9.20 4.25 0.00 1.80 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.42 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 25 G 8.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 5.07 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 1.18 0.00 0.00 27 C 8.16 4.65 0.00 1.78 1.90 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 0.00 28 Y 8.62 3.97 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 3.76 0.00 2.00 2.04 0.00 3.51 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 30 G 8.36 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 4.15 0.00 2.06 2.11 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.65 7.81 32 A 7.76 4.48 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.60 4.58 0.00 1.57 1.65 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.47 7.81 34 C 8.72 4.84 0.00 2.91 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.12 5.31 0.00 2.86 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.70 4.17 0.00 1.71 1.59 0.00 1.96 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.40 7.81