NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4489 8.3349 116.7944 58.8859 64.2467 172.7906 4 H 4.1325 8.9443 117.7482 57.7459 28.7845 174.8973 5 K 4.0779 8.1007 117.6100 56.9776 34.1897 176.7119 6 T 4.4505 8.0863 115.9208 60.6335 70.5979 175.1419 7 F 4.0422 8.5928 122.6226 61.1996 39.2107 176.8258 8 R 3.9344 8.1141 117.9151 59.5586 29.9253 178.1667 9 I 3.7000 7.7085 117.9225 63.8957 37.9567 177.4955 10 K 3.8321 7.9671 120.8445 59.3019 32.0241 178.9400 11 R 3.6647 7.5534 116.4351 59.1768 29.3272 178.6639 12 F 3.9973 7.9615 121.5494 60.8337 39.3387 176.8491 13 L 3.9480 8.3219 119.9817 57.9667 41.8253 178.7617 14 A 3.8790 7.9994 120.9982 54.9654 18.3036 179.5167 15 K 3.7318 7.6040 117.9168 59.4595 32.0064 178.9732 16 K 3.7517 7.3439 118.8489 59.3882 32.3377 178.2612 17 Q 4.8734 8.0262 121.4343 58.5355 28.9372 178.2832 18 K 3.9339 7.8590 119.6902 59.6432 31.8841 179.3377 19 Q 4.0581 7.7115 116.9968 58.7689 28.8927 178.2269 20 N 4.4567 8.1267 117.5689 54.4208 38.5793 175.3967 21 R 4.2617 7.1075 116.8252 55.8310 29.8601 174.8363 22 P 4.5735 0.0000 0.0000 61.5818 32.3477 176.2448 23 I 3.8646 7.9339 113.8233 59.7039 37.9858 174.2685 24 P 4.3785 0.0000 0.0000 63.2633 31.8435 177.1903 25 Q 4.0328 8.7973 118.8981 58.8144 28.2739 179.0552 26 W 4.2518 8.2472 117.3988 59.7273 28.0516 178.0369 27 I 2.7971 5.8937 118.1798 63.1958 37.1741 177.8012 28 R 3.7240 7.5041 119.4538 59.5324 29.6610 178.4036 29 M 4.0393 7.8887 117.0754 58.1488 32.1392 178.4695 30 K 4.1622 7.4986 117.3142 60.2194 32.9563 179.0716 31 T 3.9774 8.2099 110.9065 64.3587 68.9653 175.7031 32 G 3.9945 9.6000 109.2127 44.6012 0.0000 172.2315 33 N 4.9759 7.4983 114.5152 51.0617 42.9953 174.1601 34 K 3.8515 8.5298 118.7335 56.7617 32.5344 177.3522 35 I 3.9029 8.2242 124.0875 60.5416 38.6665 176.7753 36 R 3.9514 8.5428 122.1597 59.3607 29.5443 177.5929 37 Y 3.9375 8.1642 115.5422 60.9977 38.4704 176.8147 38 N 4.7338 7.7660 118.4539 52.8915 37.4833 175.2011 39 S 4.3570 7.6324 114.3054 60.4230 63.9021 176.4372 40 K 4.1268 8.0071 118.8580 58.2595 32.0812 177.5684 41 R 3.8798 7.3663 117.7355 56.7596 30.3839 175.8609 42 R 4.5118 8.3647 121.5206 54.5603 32.6321 174.0084 43 H 4.5981 8.2262 122.6861 55.0641 30.8484 175.8615 44 W 4.1339 8.5767 124.1660 59.8084 28.4077 177.5969 45 R 3.5237 6.0448 118.2020 58.5571 29.7031 177.7424 46 R 3.8790 8.1001 115.2778 58.9900 30.1315 177.0030 47 T 4.4462 7.4492 106.0431 59.9464 70.7817 173.3067 48 K 4.6614 8.0758 121.2896 54.3370 34.9895 175.4279 49 L 4.4617 8.4103 123.9946 54.3743 42.6802 177.3892 50 G 3.7326 8.4361 108.2944 45.9057 0.0000 172.7106 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 S 8.33 4.45 0.00 3.89 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.94 4.13 0.00 3.20 3.39 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.10 4.08 0.00 1.87 1.83 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 6 T 8.09 4.45 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 1.30 0.00 0.00 7 F 8.59 4.04 0.00 3.24 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 8 R 8.11 3.93 0.00 2.02 1.96 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 9 I 7.71 3.70 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.96 0.00 0.00 10 K 7.97 3.83 0.00 1.89 1.50 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.35 7.81 11 R 7.55 3.66 0.00 2.01 1.87 0.00 2.89 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 12 F 7.96 4.00 0.00 3.11 3.26 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 13 L 8.32 3.95 0.00 1.76 1.80 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.00 3.88 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 15 K 7.60 3.73 0.00 1.64 1.52 0.00 1.42 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.31 1.43 7.81 16 K 7.34 3.75 0.00 1.46 1.82 0.00 1.85 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 17 Q 8.03 4.87 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 18 K 7.86 3.93 0.00 1.98 1.80 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.57 7.81 19 Q 7.71 4.06 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 20 N 8.13 4.46 0.00 2.99 2.88 0.00 0.00 6.60 7.70 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 21 R 7.11 4.26 0.00 1.91 1.95 0.00 3.11 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 22 P 0.00 4.57 0.00 2.05 2.01 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 23 I 7.93 3.86 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.89 0.00 0.00 24 P 0.00 4.38 0.00 2.40 2.40 0.00 3.45 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.10 0.00 25 Q 8.80 4.03 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 26 W 8.25 4.25 0.00 3.62 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 I 5.89 2.80 0.56 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.84 0.54 0.00 0.00 28 R 7.50 3.72 0.00 1.86 1.97 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 29 M 7.89 4.04 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 30 K 7.50 4.16 0.00 1.96 2.03 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.25 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.65 1.47 7.81 31 T 8.21 3.98 4.21 0.00 0.00 0.00 0.00 0.00 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 32 G 9.60 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 33 N 7.50 4.98 0.00 2.67 2.67 0.00 0.00 6.97 7.44 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 34 K 8.53 3.85 0.00 1.73 1.77 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 35 I 8.22 3.90 1.83 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 1.88 1.43 1.11 0.00 0.00 36 R 8.54 3.95 0.00 1.79 1.97 0.00 2.89 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.10 0.00 37 Y 8.16 3.94 0.00 2.96 3.14 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 38 N 7.77 4.73 0.00 2.73 2.77 0.00 0.00 7.32 7.70 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 39 S 7.63 4.36 0.00 3.89 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 40 K 8.01 4.13 0.00 1.91 1.89 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.43 7.81 41 R 7.37 3.88 0.00 1.80 1.92 0.00 3.28 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.75 0.00 42 R 8.36 4.51 0.00 1.74 1.80 0.00 3.29 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 43 H 8.23 4.60 0.00 3.23 3.07 0.00 5.84 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.58 4.13 0.00 3.53 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.04 3.52 0.00 0.67 1.24 0.00 2.91 0.00 0.00 2.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.26 0.00 46 R 8.10 3.88 0.00 1.77 1.90 0.00 3.10 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 47 T 7.45 4.45 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 1.21 0.00 0.00 48 K 8.08 4.66 0.00 1.68 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.49 7.81 49 L 8.41 4.46 0.00 1.73 1.72 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.44 3.73 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 0.00 0.00 0.00