NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8984 8.3549 109.7368 45.7286 0.0000 174.6525 2 S 3.0839 9.6107 114.4207 61.0713 61.3428 171.5158 3 S 4.4420 8.5048 119.9677 60.4861 62.6197 167.6112 4 G 4.1789 8.1287 108.1518 44.6918 0.0000 174.7528 5 S 4.5767 7.9197 112.7780 57.7911 64.8151 174.8699 6 S 4.7976 8.6653 118.4987 56.1698 66.1289 173.2294 7 G 4.0947 10.0571 105.9401 44.0783 0.0000 173.7403 8 R 3.6185 9.1217 118.1420 58.1947 29.1455 178.0255 9 G 3.5829 8.7656 113.1331 44.9140 0.0000 172.0117 10 R 3.1617 9.5556 132.5399 56.2860 27.8864 172.5061 11 Y 3.8814 7.9897 125.6005 57.6687 37.8277 171.0802 12 R 4.8313 7.9521 119.3433 54.0951 31.7946 174.4072 13 Q 4.6844 7.6828 115.9048 55.0390 31.5454 174.1603 14 Y 4.8991 7.6085 116.8854 54.8070 40.9969 175.8415 15 N 4.6025 8.5613 119.1329 52.9586 40.7727 176.7635 16 S 4.4178 8.6171 118.6321 61.3749 63.2796 176.8973 17 E 4.1412 8.1473 121.3639 59.6123 29.5458 178.8495 18 I 3.8527 7.9467 119.2972 64.4607 37.1092 177.9972 19 L 3.7709 8.1007 120.9769 58.2149 41.8291 178.9698 20 E 3.9449 8.1583 118.1633 59.3587 29.3239 178.7442 21 E 3.9157 8.2670 117.8816 59.7508 28.9651 179.2017 22 A 2.5800 7.4403 119.7295 53.7643 18.1704 179.6844 23 I 3.5444 7.0795 118.4825 64.2874 37.4082 178.2024 24 S 4.0763 8.1364 116.2585 61.8219 62.6898 176.9993 25 V 3.5982 7.7495 114.8042 64.6387 31.3785 178.5875 26 V 3.9204 7.0191 119.0999 65.7097 31.1327 177.8877 27 M 4.0040 8.0285 117.0406 58.6496 32.0404 178.8002 28 S 4.3256 7.9815 112.7828 59.4328 62.9032 175.3360 29 G 3.9266 7.7869 109.7945 45.8120 0.0000 175.0685 30 K 4.1708 8.4746 122.0196 59.1122 32.4575 176.5717 31 M 4.5756 7.4969 114.0104 53.5607 33.1646 172.7051 32 S 4.8920 8.2632 112.9842 56.3252 67.2037 174.4201 33 V 3.4182 8.1704 119.9083 66.4538 30.7674 177.4532 34 S 4.4096 7.9491 111.9899 61.2539 62.5669 175.3311 35 K 3.9818 8.1700 121.6888 59.2142 31.8637 178.0768 36 A 4.2245 8.4736 120.8025 55.2322 18.0404 179.0534 37 Q 3.8677 8.3313 118.4139 59.9163 28.8085 179.4231 38 S 4.2180 7.7795 111.8141 61.2615 62.5177 175.7980 39 I 3.8263 7.7231 121.2040 64.4782 37.0897 177.2410 40 Y 4.4009 8.5595 115.4200 57.7867 38.1623 176.5034 41 G 3.9503 8.2337 107.5089 46.0684 0.0000 173.2930 42 I 4.1397 7.5374 119.0967 59.0126 38.4792 174.8490 43 P 4.4244 0.0000 0.0000 62.5841 33.0310 177.1466 44 H 4.0555 8.8233 121.4869 59.7844 29.4508 177.8796 45 S 4.2697 8.1590 116.2930 62.0310 62.5423 176.5003 46 T 3.9315 7.8805 118.1563 66.2694 68.2957 175.9875 47 L 3.8136 8.2234 122.2296 58.6987 42.1364 178.3115 48 E 3.8116 8.5164 119.0512 59.6670 29.4153 177.8284 49 Y 4.1435 7.9751 118.0010 61.0942 38.9067 179.0394 50 K 3.8269 8.6071 119.3943 59.1665 32.1102 179.4691 51 V 3.4862 8.0586 118.9423 66.0664 31.3402 178.0779 52 K 4.0894 7.7777 115.2315 57.9343 32.0520 178.1114 53 E 4.1692 7.5256 121.5520 57.7363 29.8184 178.0752 54 R 3.8782 8.0789 117.6063 58.7492 30.1847 178.6029 55 L 4.1101 7.6904 118.4230 55.9962 41.5210 177.3533 56 G 4.0764 7.7172 108.4150 45.7665 0.0000 175.4118 57 T 4.0151 8.1138 112.4680 63.6532 69.1187 176.4700 58 L 4.1754 7.8373 121.5283 56.8273 41.8918 177.0478 59 K 4.2341 7.2920 117.8596 56.4497 33.6066 176.0055 60 N 4.1093 8.7193 121.6679 53.7664 35.9352 172.0335 61 P 4.4832 0.0000 0.0000 61.6350 32.6725 175.4221 62 P 4.3493 0.0000 0.0000 62.2482 30.2805 176.2062 63 K 4.3842 8.1764 125.2557 55.1264 33.3861 174.5620 64 K 4.5945 8.5364 124.4839 57.0257 36.5911 176.1092 65 K 4.6693 7.6864 116.6437 55.2495 35.2074 174.4317 66 M 4.8209 8.1749 122.5182 54.8034 36.0201 175.5660 67 K 4.4980 8.0796 119.8341 55.8060 33.1393 174.0391 68 L 4.7169 7.6769 122.6382 53.5788 46.5072 174.6816 69 M 4.7647 8.1228 118.6162 54.5892 34.5434 176.0854 70 R 4.2155 8.5381 119.8320 57.4349 31.0462 175.1633 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 G 8.35 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 9.61 3.08 0.00 4.08 3.75 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 3 S 8.50 4.44 0.00 3.91 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 4 G 8.13 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 0.00 0.00 0.00 0.00 5 S 7.92 4.58 0.00 3.88 3.83 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 6 S 8.67 4.80 0.00 3.96 3.85 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 0.00 0.00 0.00 7 G 10.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.12 3.62 0.00 1.84 1.87 0.00 3.43 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 9 G 8.77 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 0.00 0.00 0.00 10 R 9.56 3.16 0.00 1.91 1.79 0.00 3.23 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.09 0.00 11 Y 7.99 3.88 0.00 3.27 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 12 R 7.95 4.83 0.00 1.64 1.87 0.00 3.22 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 13 Q 7.68 4.68 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 14 Y 7.61 4.90 0.00 3.12 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 15 N 8.56 4.60 0.00 2.83 2.80 0.00 0.00 7.11 7.34 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 16 S 8.62 4.42 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.14 0.00 2.07 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 0.00 2.43 2.43 0.00 18 I 7.95 3.85 2.33 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 1.63 1.44 1.14 0.00 0.00 19 L 8.10 3.77 0.00 1.82 1.95 0.59 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.16 3.94 0.00 2.21 1.97 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 2.50 2.51 0.00 21 E 8.27 3.92 0.00 2.23 2.25 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 2.67 2.49 0.00 22 A 7.44 2.58 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.08 3.54 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.83 0.00 0.00 24 S 8.14 4.08 0.00 4.00 3.90 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 0.00 0.00 0.00 25 V 7.75 3.60 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 0.85 0.00 0.00 0.79 0.00 0.00 26 V 7.02 3.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.89 0.00 0.00 27 M 8.03 4.00 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 28 S 7.98 4.33 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 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 30 K 8.47 4.17 0.00 1.74 1.92 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.55 7.81 31 M 7.50 4.58 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 32 S 8.26 4.89 0.00 4.02 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 33 V 8.17 3.42 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 0.76 0.00 0.00 0.87 0.00 0.00 34 S 7.95 4.41 0.00 3.98 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 35 K 8.17 3.98 0.00 1.88 1.86 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.54 7.81 36 A 8.47 4.22 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.33 3.87 0.00 2.07 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 38 S 7.78 4.22 0.00 3.95 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 39 I 7.72 3.83 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.94 0.64 0.00 0.00 40 Y 8.56 4.40 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.54 4.14 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 0.35 0.00 0.00 43 P 0.00 4.42 0.00 2.20 2.03 0.00 3.55 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 44 H 8.82 4.06 0.00 3.38 3.28 0.00 5.87 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 45 S 8.16 4.27 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 3.93 4.38 0.00 0.00 0.00 0.00 0.00 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 47 L 8.22 3.81 0.00 1.60 1.67 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.52 3.81 0.00 2.17 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 2.35 2.36 0.00 49 Y 7.98 4.14 0.00 3.06 3.24 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 50 K 8.61 3.83 0.00 1.98 1.82 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.21 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.92 1.66 7.81 51 V 8.06 3.49 2.16 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 0.97 0.00 0.00 0.89 0.00 0.00 52 K 7.78 4.09 0.00 1.90 1.78 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.39 7.81 53 E 7.53 4.17 0.00 1.37 1.71 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 1.99 2.05 0.00 54 R 8.08 3.88 0.00 1.77 1.93 0.00 3.37 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 55 L 7.69 4.11 0.00 1.62 1.71 0.91 0.80 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 56 G 7.72 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.11 4.02 4.20 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 0.00 0.00 0.00 1.16 0.00 0.00 58 L 7.84 4.18 0.00 1.63 1.76 0.90 0.86 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 59 K 7.29 4.23 0.00 1.67 1.67 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.43 7.81 60 N 8.72 4.11 0.00 2.82 2.78 0.00 0.00 7.01 8.01 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 61 P 0.00 4.48 0.00 2.18 2.05 0.00 3.76 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 1.99 1.95 0.00 62 P 0.00 4.35 0.00 2.21 2.15 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 63 K 8.18 4.38 0.00 1.68 1.72 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.42 7.81 64 K 8.54 4.59 0.00 1.69 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.42 7.81 65 K 7.69 4.67 0.00 1.69 1.59 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 66 M 8.17 4.82 0.00 2.00 1.91 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 2.51 2.53 0.00 67 K 8.08 4.50 0.00 1.67 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.45 7.81 68 L 7.68 4.72 0.00 1.63 1.52 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.12 4.76 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 70 R 8.54 4.22 0.00 1.73 1.76 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00