NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2160 8.1801 122.4917 54.7944 43.2548 175.5836 2 A 4.5418 8.5148 128.4227 49.8136 21.0933 173.7219 3 A 4.8094 8.1883 124.3834 50.3367 23.6045 173.6060 4 V 4.4762 8.3046 118.7893 59.9138 33.2058 175.3920 5 S 4.8755 8.5489 117.1485 56.4432 66.3023 172.9652 6 V 4.4445 8.2702 119.4775 61.0208 33.6934 174.0262 7 D 4.7461 8.8219 126.5520 53.5457 41.4998 176.0972 8 C 5.0102 8.6155 123.4946 56.9950 40.6646 176.0355 9 S 4.0512 8.4642 119.2751 61.8517 62.3592 175.3916 10 E 4.1350 8.2221 116.2915 56.9578 29.3342 175.7060 11 Y 4.4823 7.2681 117.2586 55.1012 40.2374 173.6875 12 P 4.7502 0.0000 0.0000 62.6206 31.8871 175.7957 13 K 4.6046 8.4460 118.1187 53.7337 34.7773 175.9126 14 P 4.4257 0.0000 0.0000 64.6954 31.4948 176.2714 15 A 4.8220 7.4002 120.9729 50.2862 21.7626 174.3334 16 C 5.2222 8.4549 117.5904 53.9597 43.7877 172.5116 17 P 4.5641 0.0000 0.0000 63.2393 31.4026 176.4036 18 K 4.4527 8.3753 117.6282 56.1006 32.5161 176.6548 19 D 4.3005 8.0759 119.6942 55.0979 40.9785 175.5868 20 Y 4.8002 8.5762 125.4245 56.5983 38.6742 175.1230 21 R 4.6064 8.4610 128.0487 53.0473 30.6468 172.9359 22 P 4.5761 0.0000 0.0000 63.0621 33.1105 176.5911 23 V 4.4268 8.8076 121.7145 61.1824 34.8351 173.2023 24 C 4.9557 8.8622 128.7277 55.4154 40.5012 173.3912 25 G 4.6515 9.1571 114.6225 45.2294 0.0000 174.2317 26 S 4.5420 9.0251 114.2060 59.2135 63.2065 174.4801 27 D 4.6856 8.1679 120.0764 52.7551 39.4331 175.6778 28 N 4.2572 7.7538 115.3811 54.8391 36.9675 173.9519 29 K 4.6093 8.1861 115.2212 54.8258 35.6614 175.7565 30 T 4.8115 8.2258 118.1432 60.9352 68.5581 173.2345 31 Y 4.5376 9.0448 128.1026 56.7327 39.2244 177.4300 32 S 4.2845 9.0571 118.6395 61.0631 63.7887 173.1759 33 N 5.5648 7.6793 118.5824 51.5335 40.8219 174.8273 34 K 3.9579 8.5549 120.3803 59.8776 32.1439 178.9314 35 C 4.0547 8.2192 118.2430 59.6902 37.9259 175.1867 36 N 4.3562 8.5426 118.2241 56.0341 38.1149 177.2352 37 F 3.3843 8.3115 122.1039 61.4391 39.4616 176.6908 38 C 3.8589 8.3192 116.3757 59.6122 34.7053 175.7919 39 N 4.2460 7.9698 117.9829 56.3162 37.9271 177.3115 40 A 3.9020 7.3132 120.5202 54.8542 18.8472 179.4051 41 V 3.3327 7.4212 117.1806 66.2566 31.2950 178.5619 42 V 3.5698 7.4846 116.3173 65.8549 31.7344 177.3875 43 E 4.1822 8.1146 117.7461 58.1679 29.4803 178.2595 44 S 4.2676 8.0354 113.0376 59.5098 64.3771 174.0567 45 N 4.2666 8.1190 117.6684 53.7679 35.4391 173.8137 46 G 4.0791 7.9463 108.8539 45.6979 0.0000 173.3709 47 T 4.1764 7.6509 107.9923 61.9565 69.5482 174.3333 48 L 4.6007 7.6322 124.2557 53.4926 43.8939 174.6388 49 T 4.7438 8.4438 119.5513 60.2948 71.5907 171.4632 50 L 4.2051 8.5926 123.8598 55.2980 42.2409 175.7986 51 N 4.7371 8.7522 126.0665 54.8523 39.5077 174.2138 52 H 4.5497 7.0697 111.2769 54.5837 31.7867 172.3393 53 F 4.2692 8.5540 118.1059 58.3804 39.4013 176.0930 54 G 3.9485 8.7282 110.1749 44.3071 0.0000 173.1712 55 K 4.0364 8.0923 119.4931 56.2505 32.7515 177.2281 56 C 4.5273 8.6678 121.0433 57.4258 41.1059 173.6284 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 L 8.18 4.22 0.00 1.61 1.65 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.51 4.54 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.81 1.22 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 0.00 0.00 4 V 8.30 4.48 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 5 S 8.55 4.88 0.00 4.00 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 6 V 8.27 4.44 2.23 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 1.00 0.00 0.00 0.96 0.00 0.00 7 D 8.82 4.75 0.00 2.73 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 8 C 8.62 5.01 0.00 3.00 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 S 8.46 4.05 0.00 3.95 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 10 E 8.22 4.13 0.00 1.59 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 11 Y 7.27 4.48 0.00 3.09 2.88 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 12 P 0.00 4.75 0.00 2.20 2.10 0.00 3.46 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 13 K 8.45 4.60 0.00 1.92 1.72 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.69 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.22 0.93 7.81 14 P 0.00 4.43 0.00 2.19 2.20 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 15 A 7.40 4.82 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 16 C 8.45 5.22 0.00 3.00 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 17 P 0.00 4.56 0.00 2.23 2.10 0.00 3.84 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 2.06 2.05 0.00 18 K 8.38 4.45 0.00 1.79 1.91 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 19 D 8.08 4.30 0.00 2.72 2.68 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 20 Y 8.58 4.80 0.00 2.83 2.94 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 0.00 0.00 0.00 21 R 8.46 4.61 0.00 1.71 1.72 0.00 3.20 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 22 P 0.00 4.58 0.00 1.94 1.94 0.00 3.28 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.02 0.00 23 V 8.81 4.43 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.85 0.00 0.00 24 C 8.86 4.96 0.00 3.00 2.57 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 25 G 9.16 4.65 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 0.00 0.00 0.00 26 S 9.03 4.54 0.00 4.00 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 27 D 8.17 4.69 0.00 2.86 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 28 N 7.75 4.26 0.00 2.86 2.91 0.00 0.00 6.73 7.60 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 29 K 8.19 4.61 0.00 1.83 1.41 0.00 1.81 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.56 7.81 30 T 8.23 4.81 4.30 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 1.20 0.00 0.00 31 Y 9.04 4.54 0.00 3.08 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 32 S 9.06 4.28 0.00 4.25 4.29 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 33 N 7.68 5.56 0.00 3.01 3.13 0.00 0.00 6.36 7.17 0.00 0.00 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 8.55 3.96 0.00 1.90 1.89 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.32 1.53 7.81 35 C 8.22 4.05 0.00 3.20 3.36 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 36 N 8.54 4.36 0.00 3.19 3.12 0.00 0.00 6.66 8.27 0.00 0.00 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 8.31 3.38 0.00 2.90 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 3.86 0.00 1.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 4.25 0.00 2.96 2.87 0.00 0.00 6.86 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 40 A 7.31 3.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.42 3.33 1.71 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 0.76 0.00 0.00 -0.30 0.00 0.00 42 V 7.48 3.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 43 E 8.11 4.18 0.00 2.06 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 2.32 2.44 0.00 44 S 8.04 4.27 0.00 4.04 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 0.00 45 N 8.12 4.27 0.00 2.85 3.11 0.00 0.00 7.18 7.53 0.00 0.00 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 G 7.95 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 47 T 7.65 4.18 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 1.22 0.00 0.00 48 L 7.63 4.60 0.00 1.54 1.44 1.08 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.44 4.74 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 1.22 0.00 0.00 50 L 8.59 4.21 0.00 1.65 1.46 0.06 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.75 4.74 0.00 2.73 2.77 0.00 0.00 7.06 7.80 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 52 H 7.07 4.55 0.00 3.20 3.30 0.00 5.70 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 53 F 8.55 4.27 0.00 3.04 2.94 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 0.00 0.00 0.00 54 G 8.73 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 0.00 0.00 0.00 55 K 8.09 4.04 0.00 1.76 1.76 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 56 C 8.67 4.53 0.00 3.00 2.99 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