NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4044 8.3049 120.3280 54.4226 33.4094 174.6434 2 K 3.7593 8.4768 119.5524 56.6649 31.9951 176.0887 3 R 4.4044 8.5203 123.4187 54.9061 32.5182 176.2235 4 T 3.8788 8.6408 113.9163 65.1417 67.0601 173.9839 5 W 4.3578 8.1560 134.3830 56.6833 30.0518 175.6467 6 Q 4.1579 7.7164 126.5102 52.5181 28.3264 173.7521 7 P 3.3825 0.0000 0.0000 63.0189 31.8673 176.4875 8 N 4.6575 7.8904 115.6884 51.7899 42.7170 175.6151 9 R 3.9487 8.5349 127.2473 59.3426 30.4313 178.8680 10 R 3.8850 7.9666 118.0422 59.3023 30.0430 178.1658 11 K 3.8679 7.9397 118.7355 59.5989 32.3865 178.2285 12 R 4.0183 8.2787 118.8940 59.6818 29.8842 178.3180 13 A 4.0320 8.0324 119.9963 55.2730 18.3504 179.8620 14 K 4.0367 8.2845 115.4271 58.9985 32.0521 179.0810 15 T 4.2033 8.2363 115.7399 65.4331 69.1858 175.4392 16 H 4.7524 8.1014 114.9419 55.3407 30.3623 175.2360 17 G 3.9886 7.8545 109.5871 45.1162 0.0000 172.6457 18 F 3.9154 8.3609 118.5678 61.2358 38.5960 176.6434 19 R 4.0125 8.5804 121.1043 59.5428 30.5562 178.3759 20 A 4.1406 7.8920 119.8461 55.4393 17.9749 179.8170 21 R 3.8625 7.9328 116.4899 59.4067 29.9161 178.7475 22 M 3.9249 7.9803 116.8763 56.8288 31.8625 177.7824 23 R 4.3233 7.3395 118.1350 57.1404 31.7660 176.7889 24 T 4.0825 6.9073 114.6158 60.9326 67.8511 173.4509 25 P 4.6930 0.0000 0.0000 63.7239 31.2283 177.0096 26 G 4.0362 7.7884 105.2478 46.7418 0.0000 176.1127 27 G 3.9114 7.9319 107.8462 47.1878 0.0000 175.8019 28 R 3.8780 8.2192 120.7742 59.2027 30.2000 179.1650 29 K 4.0402 7.7982 117.7946 58.9819 31.7672 179.1744 30 V 3.5920 8.1539 119.2358 66.2174 31.3064 178.1817 31 L 4.0208 7.6074 118.1704 57.6516 41.5982 179.2658 32 K 3.9033 7.9356 119.5284 59.4916 32.0171 178.6948 33 R 4.1664 7.8450 117.4642 58.3290 30.0993 178.8598 34 R 4.0841 7.5559 116.8970 58.6627 30.0693 179.0068 35 R 3.9252 8.1162 118.0591 59.3681 29.9284 178.8367 36 Q 3.9590 7.4040 116.9624 59.0717 29.2577 177.8696 37 K 4.1535 7.9975 118.5588 56.4093 33.5365 175.8955 38 G 3.8830 7.9788 108.1003 46.6628 0.0000 173.1568 39 R 4.6655 8.4617 119.8654 54.9217 32.2181 177.5387 40 W 4.5411 8.8237 120.3340 58.7678 29.5183 177.0331 41 R 4.8317 7.9381 115.4405 54.4483 32.7074 175.0983 42 L 4.4978 8.7139 120.6522 56.4186 42.8441 177.2708 43 T 4.6892 7.4771 112.5625 60.5662 71.6948 171.8456 44 P 4.0447 0.0000 0.0000 62.8342 31.7808 176.1413 45 A 4.2800 8.4233 125.5397 52.4094 19.0943 176.0195 46 V 4.4484 7.6327 118.2084 62.4523 34.5622 172.7912 47 R 4.5660 7.7903 116.3388 55.3457 31.3206 174.8552 48 K 4.1818 8.4839 117.4441 57.1822 32.7748 176.0066 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 M 8.30 4.40 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 2 K 8.48 3.76 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 3 R 8.52 4.40 0.00 1.85 1.91 0.00 3.44 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 4 T 8.64 3.88 4.31 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 1.28 0.00 0.00 5 W 8.16 4.36 0.00 3.42 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 6 Q 7.72 4.16 0.00 1.78 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 7 P 0.00 3.38 0.00 2.20 2.31 0.00 3.52 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 8 N 7.89 4.66 0.00 2.62 2.52 0.00 0.00 7.10 7.65 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 9 R 8.53 3.95 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 10 R 7.97 3.89 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 7.94 3.87 0.00 1.86 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.56 7.81 12 R 8.28 4.02 0.00 2.20 2.04 0.00 3.49 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 13 A 8.03 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.04 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.64 7.81 15 T 8.24 4.20 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 0.79 0.00 0.00 16 H 8.10 4.75 0.00 3.20 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.85 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 18 F 8.36 3.92 0.00 3.07 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 19 R 8.58 4.01 0.00 1.90 2.11 0.00 3.32 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 20 A 7.89 4.14 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 21 R 7.93 3.86 0.00 1.72 2.02 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 22 M 7.98 3.92 0.00 1.94 2.18 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 2.48 1.99 0.00 23 R 7.34 4.32 0.00 1.72 1.96 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 24 T 6.91 4.08 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 1.26 0.00 0.00 25 P 0.00 4.69 0.00 2.25 2.12 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 26 G 7.79 4.04 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 0.00 0.00 0.00 27 G 7.93 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.22 3.88 0.00 1.94 1.95 0.00 3.10 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 1.58 1.61 0.00 29 K 7.80 4.04 0.00 1.97 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 30 V 8.15 3.59 2.25 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 1.02 0.00 0.00 0.99 0.00 0.00 31 L 7.61 4.02 0.00 1.84 1.63 0.53 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.94 3.90 0.00 1.83 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 R 7.85 4.17 0.00 2.09 1.95 0.00 3.17 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 34 R 7.56 4.08 0.00 2.08 1.99 0.00 3.13 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 35 R 8.12 3.93 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 36 Q 7.40 3.96 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 37 K 8.00 4.15 0.00 1.89 1.84 0.00 1.99 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 7.98 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 0.00 0.00 0.00 39 R 8.46 4.67 0.00 1.95 2.05 0.00 3.32 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 40 W 8.82 4.54 0.00 3.21 3.25 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 41 R 7.94 4.83 0.00 1.79 1.86 0.00 3.33 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 1.57 1.77 0.00 42 L 8.71 4.50 0.00 1.74 1.78 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.48 4.69 4.36 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 1.35 0.00 0.00 44 P 0.00 4.04 0.00 2.09 2.06 0.00 3.73 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 2.04 2.12 0.00 45 A 8.42 4.28 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.63 4.45 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 47 R 7.79 4.57 0.00 1.91 1.84 0.00 3.05 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 48 K 8.48 4.18 0.00 1.83 1.77 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.40 7.81