NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6057 8.3601 120.3139 53.7322 40.8630 173.9485 2 A 4.3618 8.2728 121.2563 51.5113 25.1655 177.1814 3 C 3.9939 8.1035 115.5584 60.4358 44.1464 173.8141 4 E 3.8677 8.0642 117.9677 59.6958 28.9033 178.5949 5 Q 3.8902 8.1188 118.6488 58.7837 29.2185 178.0006 6 A 4.0851 8.2866 121.8839 55.2349 18.4642 179.5076 7 A 3.9958 7.5788 117.8272 55.2546 18.1537 179.6130 8 I 3.5615 7.4337 117.6944 64.7931 37.3122 177.8156 9 Q 4.0334 7.9350 117.8410 56.3256 29.7899 174.1385 10 C 3.8743 8.4281 117.7388 57.7384 41.9690 174.1898 11 V 4.3384 7.2291 118.8637 60.4029 33.8505 174.6346 12 E 3.4651 9.0967 128.0062 59.7842 29.3229 179.6449 13 S 4.1681 8.0606 113.9640 61.1549 62.7282 176.5874 14 A 4.0013 7.7221 125.0785 54.8790 18.2066 178.9533 15 C 4.1437 7.8850 114.5437 59.9682 40.0241 175.7061 16 E 4.0638 7.7867 120.0290 59.4746 29.6401 178.8075 17 S 4.2927 8.4444 114.5530 61.9458 62.8482 175.8778 18 L 4.1202 8.0663 122.3365 56.1588 41.8836 176.3985 19 C 4.6799 8.4291 118.3641 56.5677 40.7584 173.4477 20 T 3.7661 8.6135 120.8647 63.3769 68.4124 174.0242 21 E 5.1136 8.4003 128.9855 57.6090 32.7633 176.3811 22 G 3.5590 8.1246 109.2555 45.8933 0.0000 171.6620 23 E 4.6382 7.9637 125.7631 56.4609 29.1885 177.5755 24 D 4.3345 8.2023 118.3572 57.6268 41.3012 178.2145 25 R 4.0893 8.0325 117.6591 59.6863 30.1378 178.6218 26 T 3.8980 7.9998 114.8827 66.9631 68.2725 176.3419 27 G 3.6682 8.0798 105.8728 47.9367 0.0000 174.5380 28 C 4.4308 7.8044 119.8694 59.5842 41.3809 175.0936 29 Y 3.8742 8.6432 121.3091 61.0464 38.2329 177.3721 30 M 3.9420 8.2239 118.7882 58.9144 32.2320 177.7289 31 Y 4.1807 7.9164 119.0969 60.7392 38.9574 177.9542 32 I 3.7574 8.0987 119.8956 64.9022 37.2213 177.5535 33 Y 4.0938 8.4496 118.1021 59.4512 38.6075 176.2792 34 S 4.9111 8.1694 113.0030 58.5186 64.7713 173.4252 35 N 4.6112 7.9061 115.8349 54.7682 40.5813 175.7278 36 C 4.5040 8.2942 118.8458 55.1765 44.3750 171.2404 37 P 4.6933 0.0000 0.0000 62.2551 31.4336 173.4879 38 P 4.3964 0.0000 0.0000 63.5504 31.0148 176.4193 39 Y 4.2393 6.8518 114.7372 57.1745 39.9634 176.1126 40 V 3.7372 8.4111 125.4778 63.6053 33.1421 172.7551 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 8.36 4.61 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.36 1.29 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 0.00 0.00 0.00 3 C 8.10 3.99 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.87 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 5 Q 8.12 3.89 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 6 A 8.29 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.58 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.43 3.56 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.36 0.92 0.00 0.00 9 Q 7.94 4.03 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 10 C 8.43 3.87 0.00 3.22 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 11 V 7.23 4.34 2.13 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 1.06 0.00 0.00 1.02 0.00 0.00 12 E 9.10 3.47 0.00 2.10 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 2.44 2.55 0.00 13 S 8.06 4.17 0.00 3.86 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 14 A 7.72 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.88 4.14 0.00 2.61 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.06 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 17 S 8.44 4.29 0.00 4.06 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 18 L 8.07 4.12 0.00 1.78 1.69 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.43 4.68 0.00 3.01 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 20 T 8.61 3.77 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 1.21 0.00 0.00 21 E 8.40 5.11 0.00 1.97 1.84 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 2.02 2.01 0.00 22 G 8.12 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.64 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 24 D 8.20 4.33 0.00 2.83 2.66 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 25 R 8.03 4.09 0.00 1.91 2.10 0.00 3.24 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 26 T 8.00 3.90 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 1.12 0.00 0.00 27 G 8.08 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 0.00 0.00 0.00 28 C 7.80 4.43 0.00 3.11 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.87 0.00 3.08 2.70 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 30 M 8.22 3.94 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 31 Y 7.92 4.18 0.00 3.08 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 32 I 8.10 3.76 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.75 1.04 0.00 0.00 33 Y 8.45 4.09 0.00 2.86 2.90 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 34 S 8.17 4.91 0.00 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.91 4.61 0.00 2.04 2.38 0.00 0.00 6.58 7.16 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 36 C 8.29 4.50 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.69 0.00 2.10 1.96 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 38 P 0.00 4.40 0.00 1.88 1.93 0.00 2.81 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.65 0.00 39 Y 6.85 4.24 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 3.74 2.06 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 0.79 0.00 0.00 0.91 0.00 0.00