NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9323 8.3544 109.7362 45.1257 0.0000 175.8984 2 S 4.2981 8.6207 120.1551 54.6085 64.7485 171.2826 3 S 4.8618 8.5695 121.9573 57.1218 66.4277 172.3800 4 G 4.3386 8.6902 109.3424 47.1761 0.0000 174.9494 5 S 4.1676 8.2780 114.8377 60.8682 62.9240 175.2305 6 S 4.0654 7.8818 115.5614 59.3479 63.2566 172.5950 7 G 3.6701 8.6446 111.5036 45.8181 0.0000 173.8576 8 S 4.8005 7.8323 122.1343 57.7882 63.9480 175.8468 9 V 4.4572 7.6439 113.0145 61.3525 35.0253 175.3530 10 E 4.7552 8.6723 125.1498 56.1467 30.8241 175.4474 11 K 4.6541 7.8508 117.0852 53.8725 34.6119 175.5411 12 P 4.3536 0.0000 0.0000 64.0771 31.6373 175.6125 13 Y 5.1701 7.6463 116.9299 56.6052 42.4135 174.3295 14 K 5.6483 8.5251 119.9054 55.9070 35.7533 175.0967 15 C 4.2452 8.8724 123.9557 59.4336 32.6395 173.2198 16 E 4.6565 8.7917 125.2420 56.7910 29.3515 176.2092 17 D 4.7057 8.0872 118.5661 55.4429 43.1575 176.1307 18 C 4.5469 8.1565 110.6986 59.8863 31.2409 174.6666 19 G 4.2029 8.4097 107.7865 44.9277 0.0000 173.4371 20 K 4.2256 8.3229 119.4996 55.9579 33.7625 175.7729 21 G 4.4585 8.0276 107.6203 44.7905 0.0000 172.2738 22 Y 4.8461 8.5982 120.8814 56.2451 42.2466 175.1602 23 N 4.9856 9.1365 121.7721 53.7281 39.1501 174.3873 24 R 4.8044 7.6567 113.3903 53.7541 34.3659 176.1375 25 R 3.3204 8.2990 120.2990 59.0062 30.0986 178.6567 26 L 3.7703 7.8837 119.3294 58.9291 41.8823 178.8415 27 N 3.8659 7.9161 115.3344 56.2951 38.5080 176.7475 28 L 3.5370 7.6259 121.4509 57.9157 42.0709 178.0542 29 D 4.3178 7.8973 116.5505 58.0723 41.2251 178.3056 30 M 4.1338 8.2719 119.0559 58.2166 31.9581 177.8418 31 H 3.9316 8.1628 118.7616 60.1637 29.9183 177.2407 32 Q 3.9868 8.0806 119.2909 58.9177 28.4502 179.9071 33 R 3.8422 8.1693 119.7573 59.6000 29.9378 178.9599 34 V 3.4896 7.6168 110.6059 64.9217 31.8351 177.0681 35 H 4.7596 8.0775 116.4275 56.4162 28.6230 175.8537 36 M 4.5854 8.0728 117.8839 55.8371 33.6786 175.8832 37 G 3.9920 7.6047 108.7699 44.2217 0.0000 170.8011 38 E 4.6272 8.6067 118.6988 54.1600 32.4724 175.1503 39 K 3.6793 8.8166 122.2252 57.6999 32.6285 176.1527 40 T 4.3606 8.2849 114.0252 60.0855 68.9697 174.8336 41 S 4.1129 8.8996 123.3758 61.3579 63.4997 175.9888 42 G 3.7234 7.9478 107.0333 45.7514 0.0000 171.7208 43 P 4.4399 0.0000 0.0000 62.7134 29.4293 175.9032 44 S 4.3904 8.0917 120.3965 58.6831 63.4997 173.0709 45 S 4.4566 8.5867 116.8990 59.7473 64.2052 174.1224 46 G 3.7554 8.0362 111.5984 45.7466 0.0000 173.1276 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 G 8.35 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 0.00 0.00 0.00 2 S 8.62 4.30 0.00 3.85 3.69 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 0.00 0.00 0.00 0.00 3 S 8.57 4.86 0.00 3.98 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 4 G 8.69 4.34 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 0.00 5 S 8.28 4.17 0.00 3.98 4.03 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 6 S 7.88 4.07 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 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 8 S 7.83 4.80 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 4.46 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 0.87 0.00 0.00 0.91 0.00 0.00 10 E 8.67 4.76 0.00 1.87 1.86 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 2.18 2.22 0.00 11 K 7.85 4.65 0.00 1.97 1.87 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 12 P 0.00 4.35 0.00 1.39 1.90 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 13 Y 7.65 5.17 0.00 3.20 2.84 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 14 K 8.53 5.65 0.00 1.86 1.76 0.00 1.20 0.00 0.00 2.31 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.32 7.81 15 C 8.87 4.25 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 16 E 8.79 4.66 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 2.32 2.32 0.00 17 D 8.09 4.71 0.00 2.43 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.55 0.00 3.16 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 19 G 8.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.23 0.00 1.68 1.54 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.48 7.81 21 G 8.03 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.85 0.00 2.94 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 23 N 9.14 4.99 0.00 2.75 2.88 0.00 0.00 6.99 7.67 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 24 R 7.66 4.80 0.00 1.86 1.72 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 25 R 8.30 3.32 0.00 1.62 1.73 0.00 2.77 0.00 0.00 2.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.44 0.00 26 L 7.88 3.77 0.00 1.62 1.60 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.92 3.87 0.00 2.76 2.25 0.00 0.00 6.82 6.82 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 28 L 7.63 3.54 0.00 1.68 1.71 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.90 4.32 0.00 2.59 2.76 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 30 M 8.27 4.13 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 31 H 8.16 3.93 0.00 2.91 3.27 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.08 3.99 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 33 R 8.17 3.84 0.00 1.90 1.98 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 34 V 7.62 3.49 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 0.55 0.00 0.00 0.45 0.00 0.00 35 H 8.08 4.76 0.00 3.18 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 8.07 4.59 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 37 G 7.60 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 0.00 0.00 0.00 38 E 8.61 4.63 0.00 2.03 1.89 0.00 0.00 0.00 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 39 K 8.82 3.68 0.00 1.88 1.90 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.46 7.81 40 T 8.28 4.36 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 1.28 0.00 0.00 41 S 8.90 4.11 0.00 3.88 3.96 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 0.00 0.00 0.00 42 G 7.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.44 0.00 2.19 2.12 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 44 S 8.09 4.39 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.59 4.46 0.00 3.81 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 46 G 8.04 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