NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9422 8.4501 120.9021 56.6757 39.7895 171.9216 2 A 4.7449 8.0729 122.7610 49.7345 22.9876 173.9040 3 K 4.7749 9.1702 119.7087 54.2399 35.9450 174.5681 4 K 4.8646 8.2315 119.6477 57.7753 32.3438 177.6388 5 R 3.9078 8.6620 119.8308 56.7174 27.3088 175.2111 6 N 4.8197 7.4936 115.1458 51.1890 40.2347 174.7662 7 W 5.0163 8.8108 123.8474 57.8016 29.6359 176.0864 8 C 4.9334 8.7872 124.4638 54.3824 45.3312 174.1970 9 G 3.6854 8.2709 117.3007 44.9001 0.0000 176.8357 10 K 4.0654 8.8366 128.1986 56.0523 32.6077 175.7053 11 T 3.8458 8.2462 112.8555 63.0541 67.5513 171.1994 12 E 4.6118 9.0068 133.4459 56.3920 34.3939 174.7775 13 D 4.7067 7.7457 118.5638 54.0718 41.7413 173.1310 14 C 5.1764 8.3465 120.3891 55.6592 41.7025 173.7622 15 C 4.7752 8.3900 117.7772 55.8659 40.3104 171.0778 16 C 4.3921 8.7490 118.7741 54.0737 36.5329 172.4052 17 P 4.4897 0.0000 0.0000 63.6889 32.1584 175.4556 18 M 4.4555 7.8805 121.4647 56.0065 32.4436 175.7958 19 K 4.6521 8.6756 124.2454 54.1961 36.4098 174.4802 20 C 4.3940 9.0101 123.0341 58.1094 41.7797 173.2517 21 V 4.5896 8.7864 122.9869 61.1979 35.0618 173.0839 22 Y 4.7088 8.6421 123.1085 57.1435 41.0315 173.5717 23 A 4.5838 8.3973 128.2989 52.1734 17.7776 177.1740 24 W 5.5872 8.1459 120.0342 57.0849 35.2770 175.5582 25 Y 4.6663 8.4448 117.8253 56.6900 38.7565 176.4681 26 N 4.2888 6.9510 117.6172 50.4127 38.9605 174.1862 27 E 2.5400 8.1240 122.2954 58.0962 30.1552 178.0116 28 Q 3.4947 7.6094 116.7768 56.9971 28.8164 178.0414 29 G 4.3450 8.2681 108.0815 44.4138 0.0000 171.9556 30 S 5.7549 7.5937 111.0421 56.5503 66.9176 174.0426 31 C 4.9403 8.7746 119.2844 57.2800 37.9035 172.7150 32 Q 4.9851 8.8861 122.7342 53.8237 33.4148 173.9951 33 S 4.5442 9.1565 118.3873 58.5000 63.3972 174.1785 34 T 4.3744 8.3434 114.9981 60.3063 70.4580 175.9025 35 I 3.4980 8.2186 124.1846 64.5226 37.1968 178.8273 36 S 3.0343 7.8068 113.8139 60.3823 62.7888 175.9198 37 A 3.9121 7.4825 124.4736 54.4402 17.7239 179.3800 38 L 3.7689 6.6690 117.4753 57.5963 41.6508 179.3498 39 W 4.8796 6.9226 117.8937 58.3826 29.1836 176.4510 40 K 4.6111 7.5996 118.2718 56.5483 32.3897 176.1167 41 K 3.8936 8.0999 120.4396 57.3753 32.0195 175.9883 42 C 4.2148 8.9733 125.4484 57.2525 44.3685 173.3172 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 4.94 0.00 3.00 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 2 A 8.07 4.74 1.30 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 0.00 0.00 3 K 9.17 4.77 0.00 1.73 1.73 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.49 7.81 4 K 8.23 4.86 0.00 1.72 1.72 0.00 1.85 0.00 0.00 2.35 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 5 R 8.66 3.91 0.00 1.89 2.00 0.00 3.21 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 6 N 7.49 4.82 0.00 2.86 2.74 0.00 0.00 7.12 7.48 0.00 0.00 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 W 8.81 5.02 0.00 3.25 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 8 C 8.79 4.93 0.00 2.99 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 9 G 8.27 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 0.00 0.00 0.00 10 K 8.84 4.07 0.00 1.86 1.86 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 11 T 8.25 3.85 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 1.21 0.00 0.00 12 E 9.01 4.61 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 13 D 7.75 4.71 0.00 2.90 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 14 C 8.35 5.18 0.00 3.05 3.01 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 15 C 8.39 4.78 0.00 2.92 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 16 C 8.75 4.39 0.00 2.95 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 17 P 0.00 4.49 0.00 2.06 2.24 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 18 M 7.88 4.46 0.00 1.93 2.15 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 2.62 2.48 0.00 19 K 8.68 4.65 0.00 1.78 1.57 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 20 C 9.01 4.39 0.00 2.91 3.08 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 21 V 8.79 4.59 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 1.06 0.00 0.00 1.05 0.00 0.00 22 Y 8.64 4.71 0.00 3.07 2.79 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 23 A 8.40 4.58 0.98 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 0.00 0.00 24 W 8.15 5.59 0.00 3.81 3.20 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 25 Y 8.44 4.67 0.00 3.22 3.35 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 26 N 6.95 4.29 0.00 2.04 2.41 0.00 0.00 5.93 6.97 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 27 E 8.12 2.54 0.00 1.99 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 2.20 2.46 0.00 28 Q 7.61 3.49 0.00 1.51 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 5.52 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 29 G 8.27 4.35 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 0.00 30 S 7.59 5.75 0.00 3.83 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 31 C 8.77 4.94 0.00 3.13 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 32 Q 8.89 4.99 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 33 S 9.16 4.54 0.00 3.82 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 0.00 34 T 8.34 4.37 4.18 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 1.25 0.00 0.00 35 I 8.22 3.50 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 0.86 0.00 0.00 36 S 7.81 3.03 0.00 4.09 4.12 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 A 7.48 3.91 1.26 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 0.00 0.00 0.00 38 L 6.67 3.77 0.00 0.27 1.62 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 39 W 6.92 4.88 0.00 3.30 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 40 K 7.60 4.61 0.00 1.84 1.89 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.37 7.81 41 K 8.10 3.89 0.00 1.86 1.82 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 42 C 8.97 4.21 0.00 2.97 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