NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4579 8.2493 123.5817 52.1065 22.0943 179.4305 2 K 4.2933 8.5569 120.0661 54.2140 32.1618 176.4822 3 T 4.6016 9.6047 102.0789 60.9406 75.0544 172.1262 4 I 3.0397 7.8225 130.4869 60.3505 36.5027 172.5407 5 K 4.7385 8.5267 126.3339 55.2278 33.4445 176.5111 6 I 4.1922 8.7375 127.3043 62.0274 38.7380 175.4738 7 T 4.8137 8.0711 118.7804 62.2907 72.5045 174.9486 8 Q 3.9548 8.8666 125.0957 57.1419 31.3460 179.1136 9 T 3.3010 8.2768 113.6072 64.7161 66.2954 174.5246 10 R 4.4690 8.8867 123.4207 55.2899 32.2295 176.1494 11 S 4.2881 8.3569 113.8749 58.3709 63.7411 174.4161 12 A 4.6286 8.2281 125.4318 50.4283 18.3357 175.4336 13 I 4.3433 8.2635 119.9182 62.4797 39.4939 178.0617 14 G 4.1726 7.9372 106.8552 45.3263 0.0000 173.4821 15 R 4.6254 7.7879 117.6269 53.9095 32.1585 176.6634 16 L 4.1418 8.3044 119.4104 54.4825 41.8664 177.0245 17 P 4.4352 0.0000 0.0000 65.2770 31.4029 177.8274 18 K 4.2404 7.9098 116.5770 57.2289 32.6344 177.1758 19 H 4.7754 8.5161 116.0123 58.9797 29.3149 177.1965 20 K 4.0518 8.2202 119.4351 59.5748 31.5408 179.0414 21 A 4.0053 7.6047 120.8641 55.4902 18.2631 179.8632 22 T 3.9394 7.8140 107.7981 64.7656 68.7665 176.2256 23 L 3.9011 8.4049 123.6362 57.6420 41.9091 178.7229 24 L 3.9816 8.0014 120.5696 58.2173 41.9166 179.0099 25 G 3.5542 7.4490 102.9037 47.8267 0.0000 174.4817 26 L 4.4161 7.6024 118.1960 53.6450 41.7147 176.7767 27 G 3.9874 8.4312 107.2489 46.0760 0.0000 174.0132 28 L 4.1283 7.4194 119.8188 53.5737 41.3313 176.6986 29 R 3.9046 8.5918 125.6225 57.7650 29.0061 179.0349 30 R 4.2659 8.4292 121.6850 56.1057 31.7588 177.5758 31 I 3.9080 8.2673 111.8779 62.8948 37.8781 176.9077 32 G 4.0422 7.7790 109.1570 45.5217 0.0000 174.3031 33 H 3.9830 7.2430 119.6030 54.5734 30.2619 173.3205 34 T 3.8431 7.9709 131.0180 63.0045 65.7795 171.6249 35 V 4.3795 7.6597 125.8654 59.4793 34.1837 173.9736 36 E 4.9599 8.4196 119.4844 54.6615 31.3625 174.4392 37 R 4.8305 8.4276 129.3820 55.1992 33.8251 172.7778 38 E 4.8294 8.7117 117.7289 55.4645 30.5370 177.4179 39 D 4.4827 8.6868 125.8731 55.1629 42.9968 175.3816 40 T 3.9330 7.9460 114.7639 63.4532 69.9518 172.8405 41 P 4.2483 0.0000 0.0000 65.6338 31.4936 178.5454 42 A 4.1840 7.8404 118.9785 54.9424 17.9916 179.1715 43 I 3.5947 7.7889 116.3815 63.8795 37.9861 177.4529 44 R 4.4125 8.0530 119.4489 58.6423 30.0409 178.4852 45 G 3.6192 8.3371 106.2543 47.8297 0.0000 175.5328 46 M 4.0869 8.0573 120.5522 58.3037 31.7466 178.6174 47 I 3.6405 7.0316 119.0897 64.4772 37.5332 177.3449 48 N 4.2991 8.0041 117.0302 57.5663 38.4369 175.7959 49 A 4.1685 7.7456 120.1890 54.9453 18.6956 179.0943 50 V 3.5893 7.8067 107.4882 60.9981 32.9949 178.9782 51 S 3.5813 7.7206 116.4600 61.0696 62.8455 175.0104 52 F 4.6474 8.1898 113.6150 57.7406 38.0832 175.2559 53 M 4.7260 8.0728 122.0558 54.6068 33.0580 175.5432 54 V 5.0139 7.5424 109.8234 60.4044 35.6599 174.7861 55 K 4.4043 8.2288 122.0201 56.8549 32.8966 175.9807 56 V 3.4808 6.3030 117.7247 58.6356 32.4641 174.8303 57 E 4.6900 9.4371 127.3240 54.5564 33.0234 176.0173 58 E 4.2606 8.1267 118.2754 56.7538 29.2981 176.9052 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 A 8.25 4.46 1.24 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 0.00 0.00 2 K 8.56 4.29 0.00 1.95 1.26 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 T 9.60 4.60 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 4 I 7.82 3.04 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.93 0.00 0.00 5 K 8.53 4.74 0.00 1.80 1.97 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.40 7.81 6 I 8.74 4.19 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.86 0.00 0.00 7 T 8.07 4.81 4.39 0.00 0.00 0.00 0.00 0.00 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 8 Q 8.87 3.95 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.11 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 9 T 8.28 3.30 4.18 0.00 0.00 0.00 0.00 0.00 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 10 R 8.89 4.47 0.00 1.80 1.87 0.00 3.27 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 11 S 8.36 4.29 0.00 3.98 3.87 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 12 A 8.23 4.63 1.24 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 0.00 0.00 13 I 8.26 4.34 1.89 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 1.36 0.72 0.92 0.00 0.00 14 G 7.94 4.17 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 0.00 15 R 7.79 4.63 0.00 1.90 2.10 0.00 3.38 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 16 L 8.30 4.14 0.00 1.45 1.52 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.44 0.00 2.17 2.11 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 18 K 7.91 4.24 0.00 1.70 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 19 H 8.52 4.78 0.00 3.46 3.34 0.00 5.70 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 20 K 8.22 4.05 0.00 1.81 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.77 7.81 21 A 7.60 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 3.94 4.25 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 1.36 0.00 0.00 23 L 8.40 3.90 0.00 1.80 1.75 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.00 3.98 0.00 1.81 1.89 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.45 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 4.42 0.00 1.65 1.65 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.43 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 28 L 7.42 4.13 0.00 1.56 1.82 0.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.59 3.90 0.00 1.86 1.76 0.00 3.22 0.00 0.00 3.24 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 30 R 8.43 4.27 0.00 1.91 1.87 0.00 3.14 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 31 I 8.27 3.91 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.91 0.00 0.00 32 G 7.78 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 33 H 7.24 3.98 0.00 3.33 3.17 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.97 3.84 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 1.33 0.00 0.00 35 V 7.66 4.38 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 0.86 0.00 0.00 0.91 0.00 0.00 36 E 8.42 4.96 0.00 1.93 1.81 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 2.17 2.40 0.00 37 R 8.43 4.83 0.00 1.87 1.62 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 38 E 8.71 4.83 0.00 1.86 1.16 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 2.24 2.34 0.00 39 D 8.69 4.48 0.00 2.58 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 40 T 7.95 3.93 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 1.21 0.00 0.00 41 P 0.00 4.25 0.00 2.01 2.15 0.00 3.67 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 2.04 2.18 0.00 42 A 7.84 4.18 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 43 I 7.79 3.59 1.86 0.00 0.00 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 1.51 1.18 1.03 0.00 0.00 44 R 8.05 4.41 0.00 1.98 2.07 0.00 3.19 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 45 G 8.34 3.62 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 0.00 0.00 0.00 46 M 8.06 4.09 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.64 0.00 47 I 7.03 3.64 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.88 0.00 0.00 48 N 8.00 4.30 0.00 2.82 3.02 0.00 0.00 7.20 7.76 0.00 0.00 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 A 7.75 4.17 1.41 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 0.00 0.00 0.00 50 V 7.81 3.59 1.56 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 0.71 0.00 0.00 0.84 0.00 0.00 51 S 7.72 3.58 0.00 3.97 4.11 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 52 F 8.19 4.65 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.07 4.73 0.00 1.60 1.44 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.28 0.00 54 V 7.54 5.01 2.02 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 0.93 0.00 0.00 0.95 0.00 0.00 55 K 8.23 4.40 0.00 1.69 1.79 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.37 7.81 56 V 6.30 3.48 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 57 E 9.44 4.69 0.00 1.85 1.82 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 2.23 2.40 0.00 58 E 8.13 4.26 0.00 1.87 1.85 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 2.31 2.30 0.00