NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3573 8.3344 115.4106 57.4188 64.5506 173.3042 2 S 3.8424 8.5675 114.4805 58.7923 62.7387 173.1691 3 N 4.3504 9.4610 129.1384 56.8161 38.7996 176.6512 4 A 4.0643 7.9883 121.3640 55.0283 18.5842 179.6727 5 K 4.0812 8.3411 117.1397 59.2718 32.0629 179.4252 6 F 4.0822 8.4115 121.3317 61.2332 39.3230 176.7407 7 D 4.4785 8.5859 118.8668 57.5219 40.5889 178.7015 8 Q 3.9465 7.9772 119.3683 59.1959 29.0444 178.0466 9 F 4.1756 8.1372 121.6146 61.3832 39.3477 177.1242 10 S 3.6238 8.0205 115.0973 61.4972 62.6157 176.6933 11 S 4.0433 8.0557 115.6353 61.5735 62.1016 175.9694 12 D 4.3457 8.3881 121.9909 57.1941 40.4172 178.5786 13 F 3.8739 8.1700 121.6901 61.2371 39.3064 177.1443 14 Q 3.9447 8.2226 117.7520 59.2240 28.4758 179.1278 15 T 3.7989 7.9093 116.7015 66.4987 68.5367 176.3354 16 F 4.1099 8.2022 122.6783 61.3525 39.3298 176.5627 17 N 3.6757 7.9452 116.5729 56.5242 38.6876 176.6604 18 A 3.9144 7.9357 122.1128 54.9562 18.3568 179.5736 19 K 3.8797 7.8874 118.2624 59.3814 32.2035 178.8362 20 F 3.9293 8.1890 121.4010 61.3623 39.2154 176.8419 21 D 4.2525 8.1807 118.5059 57.2003 40.4705 178.6401 22 Q 3.8579 7.9321 120.1142 59.0562 29.0840 177.9400 23 F 4.2546 8.3638 122.0739 61.4578 39.4435 176.9772 24 S 3.4616 7.8037 113.0359 60.9714 61.9663 175.6229 25 N 4.1975 8.0806 119.7729 56.8432 38.6609 176.5416 26 D 4.3026 8.1229 120.4143 57.2946 40.7940 178.6552 27 F 3.9540 8.1508 121.5000 61.3754 39.4603 177.0544 28 N 4.1650 8.2470 115.8157 55.9169 38.2686 177.3619 29 A 3.9269 8.2302 122.8248 54.9233 18.3791 179.3047 30 F 4.1117 8.3842 119.5461 61.5886 39.3311 177.3687 31 R 3.3290 7.5867 117.6220 59.4000 29.8185 179.2198 32 S 4.0469 7.8214 114.5191 61.5912 62.7793 176.4971 33 D 4.3370 7.9781 121.6907 57.2318 40.5524 178.6070 34 F 3.9717 8.1254 121.6114 61.0675 39.3167 176.8616 35 Q 3.8402 8.3479 119.3583 59.1339 28.8177 178.2224 36 A 3.9183 7.9982 121.6374 55.0944 18.4244 179.3576 37 F 4.1041 8.1553 119.0447 61.3624 39.4771 177.2023 38 K 3.2454 7.8972 119.5064 59.3395 31.8899 178.4573 39 D 4.2444 8.0182 119.2130 57.3399 40.7436 178.2607 40 D 4.2686 7.9749 118.5896 57.1547 41.1550 178.0301 41 F 3.8894 8.2931 121.3293 60.9623 39.3124 176.7866 42 A 3.8376 8.0172 120.4839 55.1338 18.1437 179.1787 43 R 3.7560 7.8626 117.0688 59.7480 30.0768 178.2892 44 F 4.1039 8.0137 119.8414 61.3910 39.3837 176.4693 45 N 3.6466 7.7923 116.9071 56.6830 38.6601 176.8054 46 Q 3.9270 7.9934 119.3328 58.6969 28.7617 178.8118 47 R 3.8703 7.8809 119.3167 59.1067 30.1166 178.7536 48 F 3.9658 8.1714 120.8353 61.1050 39.3409 176.3958 49 D 4.2008 8.1335 117.7098 57.5103 41.0927 178.1251 50 N 4.2160 7.9194 116.4950 56.2285 38.6943 176.9975 51 F 4.0048 8.1968 121.6345 61.3605 39.4870 176.8358 52 A 3.7726 7.9562 120.5589 55.5795 17.8523 179.7630 53 T 3.8067 7.3941 112.8359 66.5976 68.5654 176.7531 54 K 3.9401 7.6263 118.7212 58.0494 32.2143 177.7908 55 Y 4.2389 6.9231 113.8367 56.9121 39.0906 175.8248 56 R 4.0785 8.1482 124.8343 56.7617 30.2862 176.0633 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 S 8.33 4.36 0.00 4.03 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 2 S 8.57 3.84 0.00 4.02 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 3 N 9.46 4.35 0.00 2.80 2.92 0.00 0.00 7.01 7.28 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 4 A 7.99 4.06 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 5 K 8.34 4.08 0.00 1.87 1.92 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.62 7.81 6 F 8.41 4.08 0.00 3.37 3.29 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 7 D 8.59 4.48 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 3.95 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 9 F 8.14 4.18 0.00 3.03 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 10 S 8.02 3.62 0.00 3.99 3.86 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 0.00 0.00 0.00 11 S 8.06 4.04 0.00 3.95 3.98 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 12 D 8.39 4.35 0.00 2.83 2.72 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 13 F 8.17 3.87 0.00 2.39 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 3.94 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 15 T 7.91 3.80 4.41 0.00 0.00 0.00 0.00 0.00 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 16 F 8.20 4.11 0.00 3.01 2.90 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 17 N 7.95 3.68 0.00 2.48 2.76 0.00 0.00 7.15 7.31 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 18 A 7.94 3.91 1.31 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 0.00 0.00 19 K 7.89 3.88 0.00 1.97 1.87 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 20 F 8.19 3.93 0.00 2.41 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 21 D 8.18 4.25 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 3.86 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 23 F 8.36 4.25 0.00 3.05 2.97 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 24 S 7.80 3.46 0.00 3.30 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 25 N 8.08 4.20 0.00 2.86 2.89 0.00 0.00 7.21 8.01 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 26 D 8.12 4.30 0.00 2.87 2.72 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 27 F 8.15 3.95 0.00 2.49 2.86 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 0.00 0.00 0.00 28 N 8.25 4.16 0.00 2.83 2.80 0.00 0.00 6.94 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.23 3.93 1.36 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 0.00 0.00 30 F 8.38 4.11 0.00 3.00 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 31 R 7.59 3.33 0.00 1.82 1.79 0.00 3.30 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.00 32 S 7.82 4.05 0.00 4.00 3.86 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 0.00 0.00 0.00 33 D 7.98 4.34 0.00 2.90 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 34 F 8.13 3.97 0.00 2.45 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.35 3.84 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 36 A 8.00 3.92 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 37 F 8.16 4.10 0.00 3.08 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 38 K 7.90 3.25 0.00 1.31 1.65 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 39 D 8.02 4.24 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 40 D 7.97 4.27 0.00 2.90 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 41 F 8.29 3.89 0.00 2.44 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.02 3.84 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 43 R 7.86 3.76 0.00 1.86 2.18 0.00 3.10 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 44 F 8.01 4.10 0.00 2.96 2.87 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 0.00 0.00 0.00 45 N 7.79 3.65 0.00 2.29 2.53 0.00 0.00 7.32 6.88 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 46 Q 7.99 3.93 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 47 R 7.88 3.87 0.00 1.93 1.97 0.00 3.30 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 48 F 8.17 3.97 0.00 2.38 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 49 D 8.13 4.20 0.00 2.95 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.22 0.00 2.96 2.84 0.00 0.00 6.72 8.10 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 51 F 8.20 4.00 0.00 3.12 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 52 A 7.96 3.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.39 3.81 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 1.13 0.00 0.00 54 K 7.63 3.94 0.00 1.65 1.40 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.51 1.51 7.81 55 Y 6.92 4.24 0.00 2.33 2.70 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 0.00 0.00 0.00 0.00 56 R 8.15 4.08 0.00 1.67 1.85 0.00 3.17 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 1.63 1.70 0.00