NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4720 8.3049 120.3288 54.5854 33.4736 174.4267 2 K 3.8768 8.5242 119.4751 56.5001 32.5380 175.7581 3 K 4.6992 9.1971 124.2610 56.2009 34.9783 175.0408 4 Y 4.8755 8.8560 119.4534 56.1954 41.9298 174.6006 5 V 4.7895 9.1585 123.3804 61.1384 34.5841 174.1232 6 C 3.3583 8.9396 128.7324 58.8464 31.5419 174.1714 7 T 3.7860 8.2688 124.4896 66.9397 68.2081 176.5683 8 V 3.6865 7.9101 120.3762 65.4966 31.6990 176.2880 9 C 4.6326 8.1394 109.9620 57.4207 30.7821 174.5429 10 G 3.9136 8.5136 109.5088 45.0043 0.0000 173.0648 11 Y 4.2435 7.8204 121.6950 57.6600 40.0846 173.9811 12 E 4.9744 7.8940 127.0278 54.4807 31.3142 174.2232 13 Y 4.3029 9.4333 129.6537 57.0853 40.2045 173.3564 14 D 4.7285 7.7756 127.0274 51.8251 42.5924 175.0385 15 P 4.0845 0.0000 0.0000 65.4623 31.7560 178.6619 16 A 3.6962 8.0906 119.9646 54.7465 18.5259 178.0167 17 E 4.1731 7.9571 113.9350 56.4725 30.8971 177.9934 18 G 3.8685 8.5548 107.3326 45.3647 0.0000 173.5171 19 D 4.9668 8.9563 112.4138 52.1705 42.2443 174.8064 20 P 4.2678 0.0000 0.0000 65.9642 32.0161 178.7705 21 D 4.5258 8.2520 115.2870 56.3239 41.2622 175.9139 22 N 4.9645 8.2754 116.7033 53.1116 39.1823 175.5255 23 G 3.8068 8.1965 105.0408 45.8057 0.0000 174.6677 24 V 4.1560 7.4342 120.5094 61.0695 32.2104 175.2700 25 K 4.6097 8.5030 128.0924 55.1990 33.3260 175.1739 26 P 4.4122 0.0000 0.0000 64.4821 31.3825 176.7581 27 G 3.9327 9.8515 110.8285 45.7840 0.0000 173.9718 28 T 3.9620 7.4104 116.7571 62.8761 68.6787 174.5288 29 A 4.3051 8.4665 129.6947 51.9736 19.4182 177.8413 30 F 3.7014 8.7477 121.4930 60.9373 39.1245 177.3648 31 E 3.8025 7.9646 115.7245 58.4686 29.6188 177.6900 32 D 4.4659 7.2777 117.6432 53.7179 41.6278 176.7226 33 V 3.3859 6.4727 120.4652 61.3494 32.1907 173.6302 34 P 3.9951 0.0000 0.0000 62.5368 31.8258 176.8010 35 A 3.9194 8.6755 125.5830 55.3184 18.3493 178.5522 36 D 4.4877 7.9417 113.3622 54.8784 40.0581 176.6864 37 W 4.2004 7.8901 130.5905 57.6610 31.0629 175.1779 38 V 4.4145 7.0814 116.9945 58.7492 34.8619 174.9305 39 C 3.6660 8.8521 122.6477 58.8641 31.5547 173.0284 40 P 4.0637 0.0000 0.0000 64.6777 31.1758 177.0243 41 I 4.1195 7.2561 118.8139 62.2744 37.9566 175.8029 42 C 4.6333 7.7230 110.4464 56.8732 30.8169 174.7962 43 G 3.8098 8.3958 109.2053 45.0448 0.0000 173.9915 44 A 4.0553 7.7182 123.4375 51.6366 19.0018 175.5959 45 P 4.8709 0.0000 0.0000 61.8885 32.6623 177.4175 46 K 4.1876 8.8841 118.3077 59.6892 32.0220 179.6895 47 S 4.2990 8.2119 112.1876 60.9914 63.2496 174.6522 48 E 4.4113 8.8882 119.9617 56.6979 29.3495 175.7455 49 F 5.2281 8.3049 118.2571 56.5775 41.3533 174.8208 50 E 5.0005 9.2498 118.2193 54.3352 34.3290 173.3106 51 P 3.6152 0.0000 0.0000 62.5699 32.1075 176.3013 52 A 4.1380 8.0702 124.6444 52.1990 17.9238 177.2856 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 4.47 0.00 2.07 2.17 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 2.52 2.67 0.00 2 K 8.52 3.88 0.00 2.00 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.54 7.81 3 K 9.20 4.70 0.00 1.63 1.66 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 Y 8.86 4.88 0.00 2.18 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.16 4.79 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.89 0.00 0.00 6 C 8.94 3.36 0.00 2.10 2.79 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 7 T 8.27 3.79 4.41 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 1.20 0.00 0.00 8 V 7.91 3.69 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 0.80 0.00 0.00 0.91 0.00 0.00 9 C 8.14 4.63 0.00 3.09 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 10 G 8.51 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 11 Y 7.82 4.24 0.00 3.18 2.94 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 0.00 0.00 0.00 12 E 7.89 4.97 0.00 1.86 1.58 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 2.07 2.34 0.00 13 Y 9.43 4.30 0.00 3.31 2.70 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 0.00 0.00 0.00 0.00 14 D 7.78 4.73 0.00 2.63 2.29 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 15 P 0.00 4.08 0.00 2.24 2.33 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 16 A 8.09 3.70 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 17 E 7.96 4.17 0.00 1.98 1.98 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 2.24 2.32 0.00 18 G 8.55 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 19 D 8.96 4.97 0.00 3.21 2.94 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 0.00 0.00 0.00 20 P 0.00 4.27 0.00 2.26 2.16 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 21 D 8.25 4.53 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.96 0.00 3.02 2.87 0.00 0.00 7.00 8.50 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 23 G 8.20 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.43 4.16 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 25 K 8.50 4.61 0.00 1.77 1.73 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.46 7.81 26 P 0.00 4.41 0.00 2.08 2.11 0.00 3.81 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 2.00 2.00 0.00 27 G 9.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.41 3.96 4.34 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 1.13 0.00 0.00 29 A 8.47 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 3.70 0.00 2.64 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 31 E 7.96 3.80 0.00 2.06 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 2.24 2.31 0.00 32 D 7.28 4.47 0.00 2.76 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 33 V 6.47 3.39 1.03 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 -0.46 0.00 0.00 0.10 0.00 0.00 34 P 0.00 4.00 0.00 2.23 2.08 0.00 3.47 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 35 A 8.68 3.92 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 36 D 7.94 4.49 0.00 2.80 2.81 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 0.00 0.00 0.00 37 W 7.89 4.20 0.00 3.12 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 38 V 7.08 4.41 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.65 0.00 0.00 39 C 8.85 3.67 0.00 3.31 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 40 P 0.00 4.06 0.00 1.99 1.94 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.66 0.00 41 I 7.26 4.12 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.01 0.92 0.00 0.00 42 C 7.72 4.63 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.40 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.72 4.06 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 45 P 0.00 4.87 0.00 2.31 2.25 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 46 K 8.88 4.19 0.00 1.80 1.75 0.00 1.24 0.00 0.00 1.58 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.71 7.81 47 S 8.21 4.30 0.00 4.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.89 4.41 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 49 F 8.30 5.23 0.00 3.37 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.25 5.00 0.00 1.87 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 2.31 2.47 0.00 51 P 0.00 3.62 0.00 1.78 1.66 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 52 A 8.07 4.14 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00