NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3113 8.2649 123.5710 52.0193 20.0898 176.4181 2 D 4.4391 8.3319 118.2472 55.4052 42.1610 171.7528 3 V 4.7022 7.7939 117.0031 60.8716 34.9958 174.7077 4 V 4.3724 9.0083 126.9920 61.2945 34.6779 173.9939 5 T 5.0132 8.3127 123.5225 62.0530 71.1858 173.5477 6 Y 4.5564 9.1229 124.9674 56.0385 38.9477 174.1377 7 E 5.2158 8.8937 125.5799 55.6614 30.4649 175.3380 8 N 4.8818 8.6857 122.3334 51.7631 40.1575 174.6655 9 K 4.0867 8.7224 118.1732 59.5596 32.0957 178.9915 10 K 3.9268 8.0022 117.7797 57.4644 32.1411 174.9752 11 G 3.6999 8.0107 105.6488 43.5390 0.0000 172.8709 12 N 4.6442 8.9809 122.6307 54.2654 40.0358 173.7410 13 V 4.8756 8.6693 122.5164 60.8029 33.9665 174.3313 14 T 4.8666 8.6840 124.7778 62.2249 69.9986 174.0674 15 F 4.9093 9.8825 131.9505 56.9281 40.8898 174.3982 16 D 4.7187 8.6068 127.1362 52.9844 40.0904 175.3046 17 H 3.1930 7.7828 125.0139 58.4004 30.0676 176.3088 18 K 3.8310 8.1197 121.1636 59.3733 31.9151 178.5713 19 A 3.9597 8.1400 121.0139 55.5315 18.2355 179.2872 20 H 4.0406 8.2001 114.4400 59.0179 28.7436 177.8792 21 A 3.9663 7.9999 122.5066 55.1941 17.9514 179.3217 22 E 3.8507 8.1542 116.8978 59.0197 29.7458 178.5660 23 K 4.2449 7.7378 117.3635 57.7013 32.5795 178.0386 24 L 4.5497 8.3634 117.8953 53.0703 43.9665 178.0973 25 G 4.1024 7.8603 103.5932 45.6601 0.0000 173.8884 26 C 4.0759 8.8551 118.6362 62.9210 28.1490 175.8599 27 D 5.4589 8.3061 113.6522 53.8796 39.0487 176.8917 28 A 4.1942 7.8675 123.5109 54.8139 18.5137 178.3725 29 C 4.7564 8.0038 109.9865 59.3194 30.9072 173.5731 30 H 4.8906 8.4113 117.6226 53.8368 30.0409 173.1706 31 E 4.7217 8.8407 124.0978 55.6645 31.3363 177.2447 32 G 3.7831 8.6799 112.4356 45.8186 0.0000 173.2518 33 T 3.8864 8.4859 119.8629 62.8005 68.7625 172.3568 34 P 4.0442 0.0000 0.0000 63.1138 31.6478 175.4100 35 A 4.7333 8.1469 124.3098 49.6210 22.5549 175.0486 36 K 3.9994 8.5824 120.2227 56.9194 32.5965 176.0032 37 I 4.3415 8.1394 125.3335 58.9664 38.9518 175.3234 38 A 4.0148 8.7116 129.1758 52.3576 18.4611 176.2582 39 I 4.2751 8.3236 124.4397 59.5901 39.0772 175.2468 40 D 4.7457 8.6959 124.9173 50.2508 43.9673 175.9741 41 K 3.5481 8.5051 119.0820 59.8163 31.6199 178.3489 42 K 3.9076 7.8471 116.4950 59.4897 32.3666 179.0882 43 S 4.1789 9.0938 114.7291 61.3559 62.9197 176.3018 44 A 3.8260 8.1708 124.8799 54.9541 17.9183 178.5620 45 H 4.6239 7.9031 111.5904 56.2711 29.5466 175.7444 46 K 4.6018 8.1845 123.6357 55.8920 32.0180 178.9440 47 D 4.2649 8.9852 114.9345 56.9143 40.6405 177.3484 48 A 4.0624 7.8578 120.8906 54.5905 17.9882 176.7344 49 C 4.4244 7.2720 111.7517 60.2057 31.7807 175.9304 50 K 3.6588 8.6456 119.6429 60.0725 31.8067 179.0424 51 T 3.8416 8.0113 116.0781 67.1202 68.4169 175.9792 52 C 4.1466 7.5871 119.8568 62.7963 31.6537 175.2480 53 H 4.6071 8.0828 117.4677 58.5809 28.0245 177.4002 54 K 4.2217 7.8346 119.1112 57.9841 31.9135 177.9766 55 S 4.7207 7.9631 113.2872 59.7232 64.3366 173.1298 56 N 5.0891 8.0047 119.6947 52.0462 39.2237 173.7989 57 N 4.5967 8.8297 114.9788 53.9485 39.1276 175.5829 58 G 3.6735 8.5708 108.7017 44.7626 0.0000 171.6996 59 P 4.4439 0.0000 0.0000 62.5491 31.9899 176.2423 60 T 4.5243 8.3603 110.8697 61.6489 71.0504 174.6877 61 K 4.2509 7.8154 121.6286 55.8219 33.2993 177.1549 62 C 3.9332 9.0959 120.9385 63.2676 28.0559 176.6614 63 G 3.8409 8.0785 105.2404 47.0954 0.0000 174.7532 64 G 3.7217 8.1880 109.1670 47.9761 0.0000 174.2462 65 C 4.5411 8.1093 116.0999 61.7172 30.3705 173.9148 66 H 4.9497 8.2533 119.2256 54.9039 29.1753 174.4180 67 I 4.5398 8.2960 125.5262 59.8090 38.7462 176.4463 68 K 4.1370 8.8194 125.5551 57.3886 33.8545 174.7739 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 8.26 4.31 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 2 D 8.33 4.44 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 4.70 2.03 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 0.74 0.00 0.00 0.88 0.00 0.00 4 V 9.01 4.37 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 0.33 0.00 0.00 0.92 0.00 0.00 5 T 8.31 5.01 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 1.21 0.00 0.00 6 Y 9.12 4.56 0.00 2.86 2.89 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 7 E 8.89 5.22 0.00 1.98 1.89 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 2.31 2.24 0.00 8 N 8.69 4.88 0.00 2.85 2.81 0.00 0.00 6.22 7.13 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 9 K 8.72 4.09 0.00 1.77 1.92 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.38 7.81 10 K 8.00 3.93 0.00 1.59 1.83 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.00 1.20 7.81 11 G 8.01 3.70 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 0.00 0.00 0.00 12 N 8.98 4.64 0.00 2.78 2.83 0.00 0.00 6.62 7.68 0.00 0.00 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 V 8.67 4.88 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 1.28 0.00 0.00 0.88 0.00 0.00 14 T 8.68 4.87 4.30 0.00 0.00 0.00 0.00 0.00 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 15 F 9.88 4.91 0.00 3.19 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 16 D 8.61 4.72 0.00 2.74 2.55 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 17 H 7.78 3.19 0.00 2.73 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.12 3.83 0.00 1.82 1.73 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 19 A 8.14 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.04 0.00 3.36 3.47 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.00 3.97 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 22 E 8.15 3.85 0.00 2.06 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 2.34 0.00 23 K 7.74 4.24 0.00 1.70 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.65 7.81 24 L 8.36 4.55 0.00 1.69 1.72 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.86 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.86 4.08 0.00 3.03 3.06 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 0.00 0.00 0.00 27 D 8.31 5.46 0.00 2.78 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 28 A 7.87 4.19 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 29 C 8.00 4.76 0.00 2.84 2.87 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 30 H 8.41 4.89 0.00 3.35 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.84 4.72 0.00 1.97 1.90 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 2.25 2.30 0.00 32 G 8.68 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 3.89 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 34 P 0.00 4.04 0.00 1.95 1.78 0.00 3.60 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 2.01 2.08 0.00 35 A 8.15 4.73 1.21 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 0.00 0.00 36 K 8.58 4.00 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 37 I 8.14 4.34 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.87 0.00 0.00 38 A 8.71 4.01 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 39 I 8.32 4.28 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.79 0.21 0.00 0.00 40 D 8.70 4.75 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.51 3.55 0.00 1.75 1.79 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.36 7.81 42 K 7.85 3.91 0.00 1.83 1.82 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 43 S 9.09 4.18 0.00 3.91 4.05 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 0.00 0.00 0.00 44 A 8.17 3.83 1.13 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 0.00 0.00 45 H 7.90 4.62 0.00 3.16 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.18 4.60 0.00 1.92 1.00 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.49 7.81 47 D 8.99 4.26 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.06 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 0.00 0.00 0.00 0.00 0.00 49 C 7.27 4.42 0.00 3.06 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 3.66 0.00 1.89 1.81 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 51 T 8.01 3.84 4.21 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 1.20 0.00 0.00 52 C 7.59 4.15 0.00 2.83 2.91 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 53 H 8.08 4.61 0.00 3.37 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.83 4.22 0.00 1.83 1.88 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 55 S 7.96 4.72 0.00 4.03 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 56 N 8.00 5.09 0.00 2.81 2.84 0.00 0.00 6.94 7.89 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 57 N 8.83 4.60 0.00 2.70 2.88 0.00 0.00 6.69 7.65 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 58 G 8.57 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.44 0.00 2.16 2.07 0.00 3.31 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 60 T 8.36 4.52 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 1.24 0.00 0.00 61 K 7.82 4.25 0.00 1.85 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.46 7.81 62 C 9.10 3.93 0.00 2.99 3.04 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 63 G 8.08 3.84 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 0.00 0.00 0.00 64 G 8.19 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.11 4.54 0.00 2.82 2.87 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 66 H 8.25 4.95 0.00 3.26 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.30 4.54 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.93 0.00 0.00 68 K 8.82 4.14 0.00 1.99 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81