NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3530 8.1585 120.3487 55.4348 34.6693 177.1026 2 A 3.7969 8.2500 120.8826 54.6130 18.0992 177.5576 3 S 4.0280 8.3461 111.4343 61.6663 62.6943 174.8831 4 V 3.5548 7.6138 120.0512 65.9609 31.3946 177.5910 5 L 3.9674 8.0412 118.8166 57.9432 41.5111 179.2800 6 E 3.9349 8.5714 118.5873 59.5503 29.4127 179.2163 7 E 3.9313 8.4694 118.6564 59.5732 29.5523 179.4328 8 L 3.9777 8.2268 119.1598 57.8728 41.6915 179.4294 9 Q 3.9354 8.5097 119.7711 59.0310 28.9959 178.2005 10 K 3.8865 8.4833 121.0130 59.4645 32.1809 177.9666 11 D 4.2848 8.4169 118.6761 57.3716 41.0826 177.7237 12 L 3.8933 8.1843 121.0052 58.4080 42.0005 178.3391 13 E 3.8996 8.5678 119.2632 59.3737 29.4252 178.4424 14 E 3.8974 8.6069 119.6280 59.2841 29.7898 179.0696 15 V 3.5960 7.9136 119.2379 64.6661 31.2710 177.8816 16 K 3.7796 8.3805 120.9337 59.2082 31.9257 178.5036 17 V 3.5682 8.1140 118.5358 66.2396 31.4703 177.8799 18 L 3.9575 8.2618 118.8339 57.6066 41.2421 179.3383 19 L 3.8810 8.1785 119.4811 58.1201 42.1623 178.1555 20 E 4.0737 8.1817 118.0616 59.3860 29.6111 178.8046 21 K 4.1160 8.0160 116.9512 59.1585 33.7945 179.1261 22 S 4.5975 8.4873 116.7540 57.7206 59.3986 175.6874 23 T 4.2386 7.3689 105.9647 62.9005 69.2111 176.5534 24 R 4.2038 7.8561 123.6384 55.2945 28.8220 175.7533 25 K 4.3271 8.0915 127.7167 57.5770 32.7848 177.6747 26 R 4.1886 7.8352 114.4413 58.2770 28.9351 178.1534 27 L 3.8682 7.9787 120.3110 58.1594 41.5561 179.1368 28 R 3.8234 7.7784 117.6662 59.5482 30.0334 178.0500 29 D 4.3630 8.0724 118.0480 57.7899 40.8902 178.8363 30 T 3.8298 8.3560 116.2106 66.6335 68.4992 176.0801 31 L 3.9106 8.3430 122.6466 58.4335 42.0071 178.8949 32 T 3.8254 8.2386 109.6773 65.1002 68.5163 176.1211 33 S 4.0870 8.2216 118.7440 61.0858 62.9549 176.4928 34 E 3.8900 8.6088 122.1305 58.9891 29.3548 178.3843 35 K 3.7914 8.4406 120.1708 59.8172 32.1992 178.5311 36 S 4.1050 8.2884 115.3129 61.6594 62.8173 176.6829 37 K 3.8427 8.2396 121.1143 59.7356 31.8100 179.0541 38 I 3.6572 8.1682 119.9298 64.6988 37.0888 178.2660 39 E 3.9635 8.5297 119.3543 59.7086 29.3133 179.5142 40 T 3.8327 8.3389 115.9764 66.7812 68.5635 176.1182 41 E 3.9014 8.5444 120.5612 59.4862 29.4745 178.9165 42 L 3.8878 8.2146 120.3397 58.5130 42.0409 179.1704 43 K 3.9339 8.5093 119.6073 59.2291 32.0521 178.2067 44 N 4.2617 8.6091 117.8682 56.8664 38.6958 177.0830 45 K 3.9862 8.2826 118.6787 59.4242 32.1098 179.0985 46 M 4.2772 8.1224 119.0150 57.3021 33.0768 177.6853 47 Q 4.6899 8.4370 114.4247 54.8119 30.1428 174.0989 48 Q 3.9394 8.7457 124.6319 59.9446 29.9909 178.4882 49 K 4.3866 7.7113 116.2280 56.6361 30.7608 178.3903 50 S 4.5892 7.5562 120.7722 58.7769 61.5657 175.0838 51 Q 3.8253 7.9596 118.7471 57.4735 27.1779 175.4853 52 K 4.3672 7.3744 116.3054 56.5341 31.6518 178.6084 53 K 4.5649 7.2807 119.0353 54.9311 33.1603 176.1778 54 P 4.6169 0.0000 0.0000 62.0480 30.5588 177.3425 55 E 4.1266 7.8030 121.2603 57.4226 29.3396 177.5976 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 8.16 4.35 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 A 8.25 3.80 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 3 S 8.35 4.03 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 4 V 7.61 3.55 2.20 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 1.08 0.00 0.00 0.93 0.00 0.00 5 L 8.04 3.97 0.00 1.87 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.57 3.93 0.00 2.13 2.01 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 2.33 2.50 0.00 7 E 8.47 3.93 0.00 2.10 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 2.49 2.51 0.00 8 L 8.23 3.98 0.00 1.80 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.51 3.94 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 10 K 8.48 3.89 0.00 1.86 1.94 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 11 D 8.42 4.28 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.18 3.89 0.00 1.85 1.85 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.57 3.90 0.00 2.08 2.13 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 2.31 2.48 0.00 14 E 8.61 3.90 0.00 2.18 2.08 0.00 0.00 0.00 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 2.36 0.00 15 V 7.91 3.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 16 K 8.38 3.78 0.00 1.87 2.03 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 V 8.11 3.57 2.27 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 1.01 0.00 0.00 1.01 0.00 0.00 18 L 8.26 3.96 0.00 1.76 1.70 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.18 3.88 0.00 1.65 1.90 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.18 4.07 0.00 2.08 2.14 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 2.33 2.36 0.00 21 K 8.02 4.12 0.00 1.83 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.57 7.81 22 S 8.49 4.60 0.00 3.85 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 23 T 7.37 4.24 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 1.31 0.00 0.00 24 R 7.86 4.20 0.00 1.79 1.94 0.00 3.31 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 25 K 8.09 4.33 0.00 2.01 1.91 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.47 7.81 26 R 7.84 4.19 0.00 2.07 2.19 0.00 3.06 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 27 L 7.98 3.87 0.00 1.75 1.80 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.78 3.82 0.00 1.89 1.92 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 29 D 8.07 4.36 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 3.83 4.40 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 1.21 0.00 0.00 31 L 8.34 3.91 0.00 1.78 1.84 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.24 3.83 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 1.24 0.00 0.00 33 S 8.22 4.09 0.00 3.90 3.96 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 0.00 0.00 0.00 34 E 8.61 3.89 0.00 2.14 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 2.30 2.37 0.00 35 K 8.44 3.79 0.00 1.85 2.02 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.50 7.81 36 S 8.29 4.11 0.00 4.05 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 37 K 8.24 3.84 0.00 1.92 2.03 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.64 7.81 38 I 8.17 3.66 2.07 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 1.56 0.85 0.91 0.00 0.00 39 E 8.53 3.96 0.00 2.05 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 2.33 2.48 0.00 40 T 8.34 3.83 4.42 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 1.21 0.00 0.00 41 E 8.54 3.90 0.00 2.18 2.01 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 2.33 2.43 0.00 42 L 8.21 3.89 0.00 1.77 1.89 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.51 3.93 0.00 1.93 1.82 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.49 7.81 44 N 8.61 4.26 0.00 2.85 3.06 0.00 0.00 7.20 6.97 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 45 K 8.28 3.99 0.00 1.86 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.62 7.81 46 M 8.12 4.28 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 47 Q 8.44 4.69 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 48 Q 8.75 3.94 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.52 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 49 K 7.71 4.39 0.00 1.90 1.84 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 50 S 7.56 4.59 0.00 4.06 4.19 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 51 Q 7.96 3.83 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 8.11 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 52 K 7.37 4.37 0.00 1.93 1.86 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.40 7.81 53 K 7.28 4.56 0.00 1.71 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.32 7.81 54 P 0.00 4.62 0.00 2.17 2.10 0.00 3.83 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 1.98 1.98 0.00 55 E 7.80 4.13 0.00 1.98 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 2.31 2.46 0.00