NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0073 8.3393 109.7354 45.7071 0.0000 173.1887 2 S 4.6318 8.3306 113.9516 55.5348 63.4019 172.8227 3 S 4.4715 8.0965 114.5105 59.0484 66.6004 175.1100 4 G 3.9893 8.7389 114.2454 46.4779 0.0000 174.5091 5 S 4.3666 7.8574 114.0825 55.4499 61.0904 171.1786 6 S 4.0569 8.2776 116.2299 58.1074 63.8736 175.6237 7 G 4.2321 8.2419 122.5430 45.0046 0.0000 173.7294 8 K 4.6693 8.1976 123.7460 53.6999 36.2965 174.5597 9 P 3.9737 0.0000 0.0000 65.1519 31.6405 176.5116 10 F 4.8818 7.4854 119.7494 55.0551 41.3922 174.6702 11 K 4.5946 8.6841 125.6288 54.2405 32.8212 175.0173 12 C 3.9591 9.2284 128.9298 60.3280 31.7780 174.8765 13 S 4.2340 8.9557 120.4831 60.6359 62.5641 175.2354 14 L 4.0745 7.4130 119.8490 57.3420 41.6149 176.3197 15 C 5.0338 7.6788 111.2618 56.3174 32.4277 173.1179 16 E 4.5339 8.6382 119.0018 56.9160 29.3177 175.0063 17 Y 4.3982 7.8685 119.5279 56.3808 39.7789 174.0383 18 A 5.2741 7.8462 126.9920 50.9524 22.4171 174.6908 19 T 4.6096 8.5976 113.0427 60.8816 70.8394 175.1978 20 R 3.8235 8.8896 125.4269 57.9231 30.6973 176.5612 21 S 4.8932 8.0861 114.0135 55.9605 64.0787 174.9660 22 K 3.2354 8.5195 127.7906 59.5441 32.0140 179.3594 23 S 4.0818 7.8490 114.5845 61.0954 63.1803 175.7481 24 N 4.4306 7.9321 120.7921 56.4853 38.8872 176.4134 25 L 4.0514 8.0281 121.2611 58.3603 41.8604 178.4222 26 K 3.8049 7.7969 117.8706 59.8554 32.3204 178.0697 27 A 4.1051 8.0523 120.7290 54.9904 18.2526 179.1988 28 H 3.8686 7.8516 116.3360 59.6946 29.9083 176.9468 29 M 3.8702 8.3041 120.8093 58.8171 31.5284 178.3986 30 N 4.2233 7.3909 114.6020 56.5743 38.8123 177.2262 31 R 3.9488 7.8101 118.4705 58.8326 30.6603 176.6040 32 H 4.7006 7.9070 116.6309 56.1885 28.8154 175.5987 33 S 4.3810 7.9003 112.8279 59.8020 64.4442 173.5134 34 T 4.3078 7.6794 113.8931 61.7637 68.2777 173.3575 35 E 3.6733 8.8460 125.1567 56.3306 28.4120 174.8481 36 K 4.1591 7.6696 120.4681 56.4561 33.4240 176.0290 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 G 8.34 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 0.00 0.00 0.00 2 S 8.33 4.63 0.00 4.01 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 3 S 8.10 4.47 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 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 5 S 7.86 4.37 0.00 3.83 3.79 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 0.00 0.00 0.00 0.00 6 S 8.28 4.06 0.00 3.99 3.90 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 7 G 8.24 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 0.00 0.00 0.00 0.00 8 K 8.20 4.67 0.00 1.66 1.63 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.37 7.81 9 P 0.00 3.97 0.00 0.77 1.76 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 10 F 7.49 4.88 0.00 2.85 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 11 K 8.68 4.59 0.00 1.72 1.72 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.50 7.81 12 C 9.23 3.96 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.96 4.23 0.00 3.90 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 14 L 7.41 4.07 0.00 1.55 1.51 0.63 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.68 5.03 0.00 3.16 3.16 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 0.00 0.00 0.00 0.00 16 E 8.64 4.53 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 2.27 2.30 0.00 17 Y 7.87 4.40 0.00 2.96 2.62 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 0.00 0.00 0.00 18 A 7.85 5.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 4.61 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 20 R 8.89 3.82 0.00 1.88 2.02 0.00 3.37 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 21 S 8.09 4.89 0.00 3.90 3.74 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 22 K 8.52 3.24 0.00 1.28 0.74 0.00 1.48 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.31 7.81 23 S 7.85 4.08 0.00 4.02 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 24 N 7.93 4.43 0.00 2.81 3.04 0.00 0.00 6.79 6.70 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 25 L 8.03 4.05 0.00 1.96 1.62 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.80 3.80 0.00 1.77 2.02 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.58 7.81 27 A 8.05 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.85 3.87 0.00 2.46 2.84 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 8.30 3.87 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.96 0.00 30 N 7.39 4.22 0.00 3.00 2.83 0.00 0.00 7.01 7.51 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 31 R 7.81 3.95 0.00 1.53 1.83 0.00 3.07 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 32 H 7.91 4.70 0.00 3.28 3.23 0.00 5.60 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.90 4.38 0.00 3.85 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 34 T 7.68 4.31 4.22 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 1.18 0.00 0.00 35 E 8.85 3.67 0.00 2.03 1.91 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 2.21 2.25 0.00 36 K 7.67 4.16 0.00 1.82 1.65 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.55 7.81