NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3791 8.1749 115.2471 62.1593 67.6997 173.5081 2 I 4.6749 7.5651 134.4531 58.4501 38.1976 176.1351 3 D 4.5096 9.0707 123.0110 56.2577 41.0093 178.0714 4 Q 3.9838 8.0069 119.0849 58.4337 28.7805 178.3049 5 W 3.9930 8.1000 127.0378 60.8615 30.8754 177.2216 6 L 4.2762 8.0445 119.2344 56.6592 43.1782 178.6625 7 L 3.5889 7.9276 118.9909 54.7058 41.5061 174.6815 8 K 3.9875 9.0780 109.3525 57.5654 28.8847 175.6345 9 N 4.7459 8.1421 114.0486 54.0379 39.4015 176.0100 10 A 4.2577 7.6539 119.3608 53.1045 18.6919 179.4549 11 K 3.9767 8.0244 117.5231 59.6210 32.6240 178.7366 12 E 4.1120 7.9518 118.7141 58.6882 29.9366 178.1106 13 D 4.4301 7.6889 115.5736 56.2567 41.0721 177.7803 14 A 4.4555 7.9683 121.1272 54.2023 19.9081 179.2725 15 I 3.8168 7.6472 117.4801 64.2615 36.8737 178.2637 16 A 4.1157 8.0018 120.4360 53.7362 18.2600 177.9164 17 E 4.5221 8.0313 115.3035 56.0344 31.5222 177.0092 18 L 4.3957 7.7658 118.3137 57.0182 42.0704 178.5080 19 K 4.2293 8.0628 118.0317 59.4925 32.0453 177.8720 20 K 4.1298 8.0644 120.5893 58.3625 32.6684 178.0993 21 A 4.0082 7.8468 121.3168 53.5338 18.4876 177.2410 22 G 4.1245 7.9337 105.0657 46.3698 0.0000 173.9036 23 I 3.6659 7.8128 120.9324 62.2408 36.7365 175.3750 24 T 4.8592 8.3414 114.0673 61.0687 68.2750 174.5327 25 S 4.3059 7.9178 117.4400 59.0259 63.0763 173.9779 26 D 4.6601 8.5026 123.5815 54.0944 39.7929 178.1687 27 F 4.2738 7.9997 121.4741 60.7265 39.4126 175.6954 28 Y 4.1538 7.2387 115.5327 59.9525 38.4313 177.6453 29 F 4.4159 7.3061 118.7045 60.8448 39.0294 177.5451 30 N 4.4105 8.3221 115.9076 56.1932 38.1964 177.0073 31 A 4.1743 7.5107 120.6341 53.7960 18.2296 179.1452 32 I 3.7665 7.4212 116.8041 63.6734 38.2321 177.2216 33 N 4.5523 8.0549 117.3090 55.8460 38.3275 177.3972 34 K 4.1208 7.6539 117.1913 58.6693 32.4222 177.2152 35 A 3.9744 7.0424 119.8535 52.5675 18.8816 177.5786 36 K 2.7819 8.1513 118.7397 58.0261 32.9160 176.8088 37 T 4.5488 6.8948 110.6866 59.3493 70.7148 174.0176 38 V 3.5809 8.1353 119.7744 65.9253 31.1798 177.4646 39 E 3.9977 8.0616 118.3564 58.5368 29.5564 178.0320 40 E 4.0525 8.0230 118.6080 58.4748 29.6059 178.9262 41 V 3.5100 7.4042 117.9789 66.2014 31.6469 177.8290 42 N 4.3488 8.0352 114.6166 55.8963 38.6499 177.1697 43 A 4.0800 7.6332 122.5685 55.1918 18.5379 179.6045 44 L 3.8891 7.9117 117.5030 57.7453 41.4803 179.7081 45 K 3.7433 7.7757 119.4135 59.5354 31.7814 178.6182 46 N 4.3309 7.8861 115.8193 55.8064 38.3006 177.2203 47 E 4.0199 7.9570 120.6110 59.1891 29.4343 179.0522 48 I 3.0520 7.0935 119.9113 63.8913 36.6640 178.2178 49 L 3.9539 7.1730 118.0903 57.1340 41.4567 177.4280 50 K 4.3262 7.6026 113.9896 57.7128 34.1863 177.0784 51 A 4.1127 7.9526 121.3918 54.8073 18.4899 177.3513 52 H 4.8513 7.8815 114.3399 55.2917 31.9516 173.6609 53 A 3.9110 8.6439 128.1536 52.5635 18.1258 177.3809 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 T 8.17 4.38 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 1.23 0.00 0.00 2 I 7.57 4.67 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 1.08 0.00 0.00 3 D 9.07 4.51 0.00 2.94 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 4 Q 8.01 3.98 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 5 W 8.10 3.99 0.00 3.50 3.24 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 6 L 8.04 4.28 0.00 1.79 1.79 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.93 3.59 0.00 1.95 0.81 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 K 9.08 3.99 0.00 1.99 1.93 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 9 N 8.14 4.75 0.00 2.87 2.98 0.00 0.00 6.01 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 10 A 7.65 4.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 3.98 0.00 2.03 2.16 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 12 E 7.95 4.11 0.00 1.98 2.00 0.00 0.00 0.00 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 2.31 0.00 13 D 7.69 4.43 0.00 2.68 2.73 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 14 A 7.97 4.46 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.82 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 0.36 0.00 0.00 16 A 8.00 4.12 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 17 E 8.03 4.52 0.00 1.95 1.94 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 2.22 2.31 0.00 18 L 7.77 4.40 0.00 2.08 1.82 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.06 4.23 0.00 1.88 1.97 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 20 K 8.06 4.13 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.44 7.81 21 A 7.85 4.01 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 22 G 7.93 4.12 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 0.00 23 I 7.81 3.67 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 0.68 0.00 0.00 24 T 8.34 4.86 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 25 S 7.92 4.31 0.00 3.95 3.77 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 26 D 8.50 4.66 0.00 2.99 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 27 F 8.00 4.27 0.00 2.79 2.73 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 28 Y 7.24 4.15 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.31 4.42 0.00 3.28 3.01 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 30 N 8.32 4.41 0.00 3.09 2.89 0.00 0.00 7.04 7.85 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 31 A 7.51 4.17 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 32 I 7.42 3.77 2.19 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.97 0.00 0.00 33 N 8.05 4.55 0.00 2.81 2.88 0.00 0.00 6.88 8.79 0.00 0.00 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 7.65 4.12 0.00 1.94 1.96 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.57 7.81 35 A 7.04 3.97 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 36 K 8.15 2.78 0.00 1.32 0.91 0.00 0.83 0.00 0.00 1.48 0.00 0.00 3.03 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.15 1.16 7.81 37 T 6.89 4.55 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 38 V 8.14 3.58 2.04 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 1.03 0.00 0.00 0.92 0.00 0.00 39 E 8.06 4.00 0.00 2.02 1.87 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 2.34 2.36 0.00 40 E 8.02 4.05 0.00 2.12 1.84 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 2.18 2.29 0.00 41 V 7.40 3.51 2.04 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 1.04 0.00 0.00 0.97 0.00 0.00 42 N 8.04 4.35 0.00 2.82 2.84 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.63 4.08 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 44 L 7.91 3.89 0.00 1.87 1.65 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.78 3.74 0.00 1.79 1.72 0.00 1.38 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.40 7.81 46 N 7.89 4.33 0.00 2.90 2.80 0.00 0.00 7.01 7.64 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 47 E 7.96 4.02 0.00 2.06 1.90 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 2.29 2.46 0.00 48 I 7.09 3.05 1.52 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.33 0.00 0.00 49 L 7.17 3.95 0.00 1.88 1.70 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.60 4.33 0.00 1.71 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.32 7.81 51 A 7.95 4.11 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.85 0.00 3.56 3.24 0.00 6.00 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 53 A 8.64 3.91 1.23 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 0.00 0.00 0.00