NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2937 8.4444 118.7973 56.1909 30.5624 175.7672 2 C 3.9073 8.0325 123.4202 58.1059 44.3944 171.2390 3 E 4.3597 9.0861 112.9793 56.0248 32.6296 175.0271 4 S 5.1691 7.8689 121.9035 58.1601 61.3671 174.8819 5 G 3.9775 7.4684 110.4827 44.5615 0.0000 171.8183 6 P 4.8939 0.0000 0.0000 63.1161 32.7078 175.8037 7 C 3.5798 9.1823 112.8006 56.6719 34.2743 172.2413 8 C 5.3149 8.1388 106.2959 60.8285 42.0810 178.7703 9 R 3.3661 6.8897 113.4926 60.3084 32.3725 176.0235 10 N 4.9439 7.4040 117.3418 51.6966 38.3607 174.1841 11 C 3.7075 9.6092 117.0602 55.9525 41.6192 171.6460 12 K 4.5729 8.3628 129.9585 55.1171 34.0506 171.7595 13 F 4.0144 8.2432 127.2591 57.2828 40.2232 172.4704 14 L 3.8848 7.7598 128.5357 54.5244 41.9844 176.8141 15 K 3.5256 7.9571 113.0735 58.3446 33.7626 174.6486 16 E 4.0005 8.3566 118.4371 60.8271 26.2141 174.9849 17 G 3.3956 8.7042 123.1211 45.4392 0.0000 173.7564 18 T 4.2485 7.6401 112.9058 61.0058 66.1477 172.1718 19 I 4.0174 7.7137 129.0896 63.1432 39.4980 174.5602 20 C 4.8010 9.5046 125.0367 59.2560 43.7159 173.4751 21 K 4.4813 8.5053 115.3394 53.7030 35.4823 178.5209 22 R 4.1690 8.5088 128.0006 55.8388 28.2987 176.0916 23 A 4.1219 8.3462 126.6248 55.0180 18.9162 180.6416 24 R 3.9780 8.1260 112.7526 59.2190 30.4983 177.4661 25 G 4.2558 7.8860 102.4843 47.0078 0.0000 172.0520 26 D 4.5027 12.0000 123.3600 53.4709 47.3800 178.2535 27 D 5.0492 8.8972 124.0089 53.5105 41.9472 172.9478 28 M 4.2736 8.0888 119.8791 56.0370 33.4344 178.0742 29 D 4.6415 7.7510 127.7633 53.6360 47.3800 177.2117 30 D 5.6099 9.1097 127.6183 54.3151 44.9661 173.6133 31 Y 5.3962 9.0552 121.3652 53.7902 41.9933 173.9359 32 C 4.6795 8.7504 115.3784 55.0979 41.8655 172.6333 33 N 4.5451 7.4909 120.3477 51.7245 37.2114 175.9072 34 G 3.8655 8.2056 105.8528 45.7904 0.0000 173.5181 35 K 4.2573 7.3576 115.2727 57.4327 34.0848 175.5780 36 T 5.1436 7.4061 109.5881 61.8783 70.4604 170.9421 37 C 5.1685 8.3800 112.4279 54.2153 41.6547 173.7504 38 D 4.6263 7.3881 117.1762 54.2248 41.3933 173.5680 39 C 4.8170 8.6655 106.5126 56.9446 40.1665 173.0786 40 P 4.4658 0.0000 0.0000 61.4293 29.4526 176.2035 41 R 4.9428 6.9505 117.9114 57.2366 32.7278 173.7674 42 N 5.0124 7.8830 113.0778 51.3896 37.8927 173.8305 43 P 4.6837 0.0000 0.0000 63.8512 32.2804 176.5212 44 H 4.9360 7.4853 119.9373 58.2828 27.8505 176.8832 45 K 4.0881 7.5334 118.0524 59.1242 33.0464 176.6493 46 G 4.2420 7.5688 108.3728 45.4032 0.0000 172.3904 47 P 4.4105 0.0000 0.0000 62.6140 32.0268 175.2280 48 A 4.1084 9.4415 121.2164 52.8098 18.4259 178.1564 49 T 4.2178 8.3171 118.5187 63.8879 69.5714 173.9147 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 E 8.44 4.29 0.00 2.06 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 0.00 2.37 2.36 0.00 2 C 8.03 3.91 0.00 3.04 3.18 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 0.00 3 E 9.09 4.36 0.00 2.04 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 2.14 2.24 0.00 4 S 7.87 5.17 0.00 3.96 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 5 G 7.47 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.89 0.00 1.91 2.15 0.00 3.34 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 7 C 9.18 3.58 0.00 2.80 2.50 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 8 C 8.14 5.31 0.00 3.08 3.21 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 9 R 6.89 3.37 0.00 2.02 2.34 0.00 2.60 0.00 0.00 3.95 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 10 N 7.40 4.94 0.00 2.81 2.89 0.00 0.00 6.03 7.70 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 11 C 9.61 3.71 0.00 3.16 3.22 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 12 K 8.36 4.57 0.00 1.84 1.87 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.22 7.81 13 F 8.24 4.01 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.88 0.00 1.58 1.33 0.80 0.53 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 15 K 7.96 3.53 0.00 1.70 1.49 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.06 1.23 7.81 16 E 8.36 4.00 0.00 2.26 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 2.67 2.78 0.00 17 G 8.70 3.40 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 0.00 18 T 7.64 4.25 4.50 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 1.32 0.00 0.00 19 I 7.71 4.02 1.86 0.00 0.00 0.98 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 1.99 0.97 0.00 0.00 20 C 9.50 4.80 0.00 4.67 2.84 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 0.00 0.00 0.00 21 K 8.51 4.48 0.00 1.63 1.69 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 22 R 8.51 4.17 0.00 1.85 1.86 0.00 3.09 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 23 A 8.35 4.12 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 24 R 8.13 3.98 0.00 1.79 2.03 0.00 3.17 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 25 G 7.89 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 0.00 0.00 0.00 0.00 26 D 12.00 4.50 0.00 2.67 1.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 5.05 0.00 2.85 2.61 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 0.00 0.00 0.00 0.00 28 M 8.09 4.27 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 29 D 7.75 4.64 0.00 2.67 2.24 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 30 D 9.11 5.61 0.00 2.60 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 31 Y 9.06 5.40 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 32 C 8.75 4.68 0.00 2.72 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 33 N 7.49 4.55 0.00 2.82 2.87 0.00 0.00 6.38 7.04 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 34 G 8.21 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 0.00 0.00 0.00 35 K 7.36 4.26 0.00 1.89 1.71 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.45 7.81 36 T 7.41 5.14 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 1.20 0.00 0.00 37 C 8.38 5.17 0.00 3.17 3.13 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 0.00 0.00 0.00 0.00 38 D 7.39 4.63 0.00 2.58 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 39 C 8.67 4.82 0.00 3.34 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.06 2.14 0.00 3.85 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 41 R 6.95 4.94 0.00 2.91 2.26 0.00 2.47 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.00 42 N 7.88 5.01 0.00 2.71 2.76 0.00 0.00 6.34 7.74 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 43 P 0.00 4.68 0.00 2.24 2.20 0.00 3.88 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 2.03 2.03 0.00 44 H 7.49 4.94 0.00 3.19 3.09 0.00 5.73 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.53 4.09 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.68 7.81 46 G 7.57 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 0.00 0.00 0.00 0.00 47 P 0.00 4.41 0.00 2.26 1.91 0.00 3.91 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.80 0.00 48 A 9.44 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.22 4.51 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 1.22 0.00 0.00