NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3713 8.4449 120.2149 55.8350 31.1608 175.5347 4 S 4.2144 9.1614 118.8200 57.8704 63.5340 174.0022 5 L 3.9986 9.5097 124.4514 58.0342 42.5454 178.1022 6 L 4.5441 7.9240 115.8598 54.9311 42.1122 177.4657 7 Y 4.3117 8.4678 122.3416 61.0954 38.5619 178.7315 8 G 3.5745 8.2795 105.9738 47.7027 0.0000 174.7470 9 Y 4.0023 7.9461 121.2912 60.7634 38.8797 178.2529 10 F 4.2803 8.2247 119.9929 59.6648 38.9081 177.5163 11 L 3.6733 7.9412 120.4800 58.0806 41.7240 178.5775 12 D 4.2653 8.2801 118.5779 57.3241 40.8379 178.3927 13 S 4.4377 7.7615 116.0850 60.2967 62.9499 176.4290 14 W 4.1881 8.1974 132.2554 60.4658 30.4952 178.0988 15 L 3.4873 8.0368 119.4097 56.9573 40.7405 178.1907 16 D 4.6872 8.0281 117.3858 52.8348 39.5305 177.7786 17 G 2.6374 6.9945 107.8908 45.8132 0.0000 174.5121 18 T 4.0993 7.7535 110.4144 62.9619 69.6493 175.1579 19 A 4.5847 7.9440 124.4022 51.1955 20.0128 176.9794 20 S 4.8636 8.3454 115.6745 56.2443 66.9870 175.0202 21 E 4.0272 8.7347 121.8675 59.4938 29.2227 178.1368 22 E 3.8929 8.2380 118.7196 59.3340 29.6786 178.3899 23 L 3.9737 8.0090 120.1289 58.2274 42.1506 178.8651 24 L 3.7178 7.9879 118.8494 57.9273 41.4782 179.8423 25 R 3.8733 8.1992 118.0691 58.9835 29.8816 179.2071 26 V 3.5330 7.9992 118.1307 65.9349 31.4537 177.9686 27 A 3.8633 7.9574 120.5291 54.8772 18.0860 179.7828 28 V 4.1925 7.7163 118.1273 65.8505 31.4454 177.7777 29 N 4.2832 8.0850 115.1889 56.5790 38.8501 176.0921 30 A 4.2467 8.0907 120.4758 52.6989 18.6426 178.3335 31 G 3.8861 7.8318 105.1504 45.8573 0.0000 174.3745 32 D 4.6752 8.1235 119.7906 55.3543 41.5694 176.5011 33 L 5.0284 7.4363 117.9376 52.2485 45.9459 175.7012 34 T 4.5765 8.7623 111.8488 60.7771 71.3995 175.7910 35 Q 3.8932 8.4625 122.2232 59.4104 28.9752 178.0940 36 E 3.8947 8.1337 119.7330 59.3468 29.6719 178.5237 37 E 4.0515 8.4123 118.3640 59.4183 29.5377 179.1675 38 A 3.9107 8.1519 120.8221 55.2010 18.1792 179.4357 39 D 4.2003 8.0890 116.6129 57.3602 41.1777 178.8674 40 K 4.1649 8.4194 119.3248 59.5840 32.1309 179.4212 41 I 3.6396 8.1937 120.4308 64.6318 36.8170 178.0970 42 M 3.1929 7.5269 117.2895 56.6500 31.7537 178.1562 43 S 4.3373 7.7256 114.1823 59.7248 63.6751 174.1009 44 Y 4.4036 7.4152 120.1389 56.1855 38.7996 173.2310 45 P 4.5584 0.0000 0.0000 61.9843 31.8861 175.7463 46 W 3.3494 8.8613 134.2030 58.1115 31.0775 175.6206 47 G 3.0676 7.8440 112.8763 45.8342 0.0000 174.9731 48 A 3.9135 7.2990 124.4744 54.8857 18.2593 180.3022 49 W 4.6908 7.7692 114.3462 58.0744 29.3667 176.1046 50 N 4.5524 8.1599 120.2523 53.6422 38.4566 173.8774 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 3 E 8.44 4.37 0.00 1.98 1.98 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 1.72 2.19 0.00 4 S 9.16 4.21 0.00 4.09 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 5 L 9.51 4.00 0.00 1.66 1.77 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.92 4.54 0.00 1.98 1.71 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.47 4.31 0.00 3.22 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 8 G 8.28 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.00 0.00 2.89 2.89 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 10 F 8.22 4.28 0.00 3.12 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 11 L 7.94 3.67 0.00 0.95 1.40 -0.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.28 4.27 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.76 4.44 0.00 4.03 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 14 W 8.20 4.19 0.00 3.44 3.15 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 0.00 0.00 0.00 15 L 8.04 3.49 0.00 0.96 0.13 0.28 0.86 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 16 D 8.03 4.69 0.00 2.95 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 17 G 6.99 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 0.00 0.00 0.00 18 T 7.75 4.10 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 1.20 0.00 0.00 19 A 7.94 4.58 1.58 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 0.00 0.00 20 S 8.35 4.86 0.00 4.04 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 21 E 8.73 4.03 0.00 2.18 2.03 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 2.38 2.37 0.00 22 E 8.24 3.89 0.00 2.08 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 2.39 2.38 0.00 23 L 8.01 3.97 0.00 1.83 1.92 1.20 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.99 3.72 0.00 1.78 1.52 0.48 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.20 3.87 0.00 1.94 1.94 0.00 3.11 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 26 V 8.00 3.53 2.22 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 1.10 0.00 0.00 0.98 0.00 0.00 27 A 7.96 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.72 4.19 2.18 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 1.02 0.00 0.00 0.90 0.00 0.00 29 N 8.08 4.28 0.00 2.84 2.98 0.00 0.00 7.29 7.71 0.00 0.00 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 A 8.09 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 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 0.00 0.00 0.00 32 D 8.12 4.68 0.00 2.88 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 33 L 7.44 5.03 0.00 1.54 1.49 0.56 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.76 4.58 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 1.21 0.00 0.00 35 Q 8.46 3.89 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 36 E 8.13 3.89 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 37 E 8.41 4.05 0.00 2.39 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 38 A 8.15 3.91 1.24 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 0.00 0.00 0.00 39 D 8.09 4.20 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.16 0.00 2.14 2.09 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.70 7.81 41 I 8.19 3.64 1.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.94 0.31 0.00 0.00 42 M 7.53 3.19 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.23 0.00 43 S 7.73 4.34 0.00 3.99 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 44 Y 7.42 4.40 0.00 3.27 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 45 P 0.00 4.56 0.00 2.25 2.27 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 46 W 8.86 3.35 0.00 2.28 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 47 G 7.84 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 0.00 0.00 0.00 48 A 7.30 3.91 1.12 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 0.00 0.00 49 W 7.77 4.69 0.00 3.18 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 50 N 8.16 4.55 0.00 2.91 2.84 0.00 0.00 6.83 7.23 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