NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7581 8.4549 118.1663 56.6044 42.4739 173.9955 2 S 4.3763 7.3643 115.2533 54.1689 62.8450 169.7515 3 L 4.3667 7.9901 130.8491 55.2631 49.0275 175.5004 4 D 4.8997 7.2185 117.7875 54.6379 42.0734 175.7328 5 N 4.1734 9.2004 112.4967 54.2538 37.6656 174.2530 6 G 3.9606 9.0210 100.1325 45.8191 0.0000 174.8295 7 D 4.5804 9.2126 117.0813 54.4232 39.1071 173.7739 8 C 4.5697 8.2807 117.3174 56.6677 40.9425 173.7904 9 D 4.4767 8.0557 123.3784 56.7880 41.8685 177.6743 10 Q 4.4024 7.0629 112.5417 55.5417 31.0974 179.6110 11 F 4.6298 8.0881 128.8736 58.7892 39.7366 171.9970 12 C 5.4429 8.6568 122.1955 55.2847 45.0094 172.9232 13 H 4.9905 8.8618 121.9368 54.7943 33.1171 172.6343 14 E 4.6810 9.0265 123.6196 55.8063 29.9716 175.3335 15 E 4.4752 10.1755 125.4528 54.7261 33.7063 174.3650 16 Q 3.0490 9.5401 121.4857 57.5442 27.1295 173.0052 17 N 4.1897 8.0891 108.8596 54.1856 37.6729 172.4000 18 S 4.4520 8.2350 110.6860 57.3701 66.7177 173.0000 19 V 4.8331 8.5290 121.4489 60.5265 31.2572 175.2992 20 V 4.0525 9.4129 129.1656 61.3913 32.8756 174.6780 21 C 5.6390 8.7252 120.3025 55.6082 39.2637 172.9244 22 S 4.8370 8.9611 114.9748 57.5575 66.6030 171.9725 23 C 4.9330 8.4969 116.4926 54.4864 37.8721 174.1330 24 A 4.3356 10.2919 123.6627 51.5946 18.6502 177.3353 25 R 4.1598 8.4873 120.3541 57.8926 30.4658 176.5795 26 G 4.0813 9.1841 112.3792 45.3319 0.0000 171.8871 27 Y 5.8105 8.0770 115.6697 55.1410 41.9892 175.0282 28 T 4.7448 8.2624 109.5265 59.7662 72.4153 172.8789 29 L 4.6688 8.6460 126.7463 54.8001 42.9658 176.3348 30 A 4.2520 9.5538 129.0105 51.8652 19.2956 178.3042 31 D 4.3236 8.7338 119.0406 57.3477 41.0069 178.2439 32 N 4.3417 8.1001 115.1586 53.7005 37.4705 176.1675 33 G 3.9658 8.4045 106.7896 45.8545 0.0000 173.8196 34 K 4.7611 9.4032 119.3218 55.6285 33.9937 175.3289 35 A 5.0926 8.0148 120.4914 50.5278 23.0310 176.5015 36 C 5.3861 9.1659 118.2342 55.3836 40.6496 173.7300 37 I 4.5479 8.7251 126.6256 58.7826 38.2056 174.0482 38 P 3.9859 0.0000 0.0000 63.4099 31.5767 176.2494 39 T 4.4113 7.8807 116.4010 63.2644 69.7013 173.9599 40 G 3.9703 7.2050 109.3401 44.6011 0.0000 171.4133 41 P 4.0492 0.0000 0.0000 64.8079 32.0686 176.2070 42 Y 4.5169 7.3166 114.3718 54.8750 38.0260 173.0759 43 P 4.2163 0.0000 0.0000 62.5029 32.5950 176.5251 44 C 4.3362 8.4732 115.0819 59.3209 30.4139 173.9894 45 G 3.9880 8.9995 109.2559 45.7751 0.0000 173.1732 46 K 4.6863 7.7007 117.4593 54.0095 35.0870 176.2820 47 Q 4.2368 8.5907 121.7044 56.2824 29.2922 176.9526 48 T 4.3199 8.1591 111.6161 60.4511 67.5993 172.8546 49 L 4.3678 7.8263 127.7935 53.7004 41.2003 176.4485 50 E 4.3750 8.3523 123.9616 56.0257 30.5936 177.7311 51 R 4.1888 8.0979 115.2076 56.8791 29.3852 174.8368 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 C 8.45 4.76 0.00 3.29 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 4.38 0.00 3.88 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 3 L 7.99 4.37 0.00 1.52 1.57 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.22 4.90 0.00 2.72 2.69 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 5 N 9.20 4.17 0.00 2.91 2.89 0.00 0.00 6.93 7.93 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 6 G 9.02 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 0.00 0.00 0.00 7 D 9.21 4.58 0.00 2.66 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 8 C 8.28 4.57 0.00 2.98 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.48 0.00 2.41 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.06 4.40 0.00 1.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.93 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 11 F 8.09 4.63 0.00 3.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.66 5.44 0.00 3.04 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 13 H 8.86 4.99 0.00 3.10 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.03 4.68 0.00 1.90 1.93 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 2.41 2.26 0.00 15 E 10.18 4.48 0.00 1.94 1.72 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 2.20 2.22 0.00 16 Q 9.54 3.05 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 N 8.09 4.19 0.00 2.88 2.85 0.00 0.00 7.01 7.63 0.00 0.00 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 S 8.23 4.45 0.00 4.07 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 4.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 20 V 9.41 4.05 2.11 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 0.74 0.00 0.00 0.98 0.00 0.00 21 C 8.73 5.64 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.96 4.84 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.93 0.00 2.83 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 24 A 10.29 4.34 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.16 0.00 1.87 1.95 0.00 3.25 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 G 9.18 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 0.00 0.00 0.00 27 Y 8.08 5.81 0.00 2.94 2.80 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 28 T 8.26 4.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 29 L 8.65 4.67 0.00 1.67 1.62 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.55 4.25 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.32 0.00 2.68 2.75 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 32 N 8.10 4.34 0.00 2.82 2.95 0.00 0.00 6.04 7.00 0.00 0.00 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 G 8.40 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.40 4.76 0.00 1.60 1.92 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81 35 A 8.01 5.09 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 36 C 9.17 5.39 0.00 2.71 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 37 I 8.73 4.55 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.90 0.00 0.00 38 P 0.00 3.99 0.00 1.80 1.51 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 39 T 7.88 4.41 4.28 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 1.16 0.00 0.00 40 G 7.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.05 0.00 1.68 1.98 0.00 3.70 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 2.12 1.99 0.00 42 Y 7.32 4.52 0.00 3.00 2.96 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 43 P 0.00 4.22 0.00 1.83 1.35 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 44 C 8.47 4.34 0.00 3.17 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 45 G 9.00 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 46 K 7.70 4.69 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.59 1.46 7.81 47 Q 8.59 4.24 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.23 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.16 4.32 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 49 L 7.83 4.37 0.00 1.66 1.70 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.35 4.38 0.00 1.98 1.94 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 2.35 2.35 0.00 51 R 8.10 4.19 0.00 1.85 1.82 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00