NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2471 8.3049 120.3510 53.7086 34.0581 174.2422 2 K 3.4876 8.0816 115.6419 56.5554 28.1359 173.0314 3 R 4.1980 7.6827 123.2226 55.2763 31.6683 177.4070 4 T 5.1469 7.3741 124.6272 63.1187 69.5538 172.8421 5 Y 4.1849 8.0847 120.3812 60.9135 38.9992 175.9151 6 Q 3.6998 7.3899 119.4366 54.5527 26.3701 175.2740 7 P 4.6466 0.0000 0.0000 62.5052 32.5666 176.6660 8 N 4.9596 8.1834 116.0540 51.7456 40.9664 176.8078 9 N 3.2354 9.0752 112.7399 53.3875 39.4054 178.4180 10 R 2.9895 7.7258 120.6141 57.3604 33.7568 180.2126 11 K 4.1837 8.5827 118.0672 57.1001 31.7085 181.8838 12 R 3.2983 8.8011 108.4161 57.8430 34.1293 178.1673 13 A 3.8235 9.8763 118.7526 56.0785 18.9242 179.8257 14 K 4.4808 6.0306 109.7943 54.6680 33.5054 182.1902 15 T 2.7617 7.6600 117.1599 61.8963 72.6877 170.9876 16 H 4.8658 8.0425 123.0043 52.5692 30.9567 175.2510 17 G 4.0366 9.0765 111.9401 47.0618 0.0000 175.5094 18 F 2.9789 8.6135 120.9090 56.9497 42.1045 179.5121 19 R 3.7307 8.4435 114.3013 55.5555 34.1147 182.0602 20 A 3.0794 9.9948 126.5333 53.1226 19.6490 180.9178 21 R 3.2980 7.8175 118.8943 56.7757 32.7536 178.4500 22 M 3.5666 9.9421 112.7479 58.9339 32.3843 181.0130 23 K 4.6907 7.8599 121.8253 59.7645 33.6511 176.6336 24 T 4.1706 8.0408 112.8256 61.0854 68.6204 174.4362 25 K 4.1769 9.0429 126.0784 57.3829 31.8704 180.9299 26 S 3.1932 8.5656 111.5854 58.9874 65.5746 177.6872 27 G 3.1205 6.5155 103.7093 47.6025 0.0000 177.1200 28 R 3.2791 7.1712 114.2099 56.8757 32.7093 178.9556 29 N 4.5674 9.4215 111.3401 53.4129 40.8872 179.6301 30 I 3.0230 8.3153 120.8420 65.1881 38.2361 176.5022 31 L 3.3249 7.8537 114.3330 57.7918 41.8473 178.8188 32 A 4.2990 6.9763 130.6564 55.3584 20.7981 180.3863 33 R 3.8610 9.4518 111.1026 58.7233 28.3344 180.2217 34 R 3.2032 8.6937 120.4115 58.1136 35.0900 178.0564 35 R 3.6703 8.9396 105.6505 55.0584 33.1646 179.6362 36 A 3.4370 10.2783 126.6444 56.4219 17.1125 184.0464 37 K 3.8134 8.2880 114.8256 57.0487 34.6324 175.2085 38 G 4.0618 9.3343 111.7982 47.5932 0.0000 173.3876 39 R 4.3523 8.8652 113.9727 53.6238 28.3578 179.8926 40 H 3.9024 9.0248 124.8807 57.8518 27.5609 172.5660 41 Q 4.4257 9.9960 121.1179 55.9917 30.1574 176.4144 42 L 4.9303 5.6200 125.1916 54.4370 47.1551 175.7560 43 T 4.7149 8.0061 105.6248 62.1497 67.5480 177.6359 44 V 3.0388 7.8782 117.1147 65.4899 33.0793 177.0611 45 S 4.0741 6.2044 110.4486 59.7584 63.3343 174.1165 46 D 4.3193 10.2954 126.6845 53.7874 39.3312 175.0612 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 4.25 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 2 K 8.08 3.49 0.00 2.00 1.83 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.54 7.81 3 R 7.68 4.20 0.00 2.14 2.29 0.00 3.43 0.00 0.00 3.35 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 4 T 7.37 5.15 3.97 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 1.15 0.00 0.00 5 Y 8.08 4.18 0.00 2.96 3.07 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 6 Q 7.39 3.70 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 7 P 0.00 4.65 0.00 2.20 2.08 0.00 3.75 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 2.01 2.01 0.00 8 N 8.18 4.96 0.00 2.74 2.73 0.00 0.00 6.92 6.92 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 9 N 9.08 3.24 0.00 2.75 2.59 0.00 0.00 7.30 7.66 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 10 R 7.73 2.99 0.00 1.92 1.87 0.00 3.15 0.00 0.00 3.27 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 11 K 8.58 4.18 0.00 1.82 1.58 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 R 8.80 3.30 0.00 1.97 2.25 0.00 3.32 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 13 A 9.88 3.82 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.03 4.48 0.00 1.81 0.92 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.82 7.81 15 T 7.66 2.76 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 1.20 0.00 0.00 16 H 8.04 4.87 0.00 3.23 3.20 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.08 4.04 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 0.00 0.00 0.00 18 F 8.61 2.98 0.00 3.14 3.10 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 19 R 8.44 3.73 0.00 2.06 0.89 0.00 3.19 0.00 0.00 3.38 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 20 A 9.99 3.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.30 0.00 2.30 1.96 0.00 3.16 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 22 M 9.94 3.57 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 23 K 7.86 4.69 0.00 1.95 1.88 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 24 T 8.04 4.17 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 1.37 0.00 0.00 25 K 9.04 4.18 0.00 1.86 1.61 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.43 7.81 26 S 8.57 3.19 0.00 4.00 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 27 G 6.52 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.17 3.28 0.00 2.14 1.81 0.00 3.17 0.00 0.00 3.18 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.22 0.00 29 N 9.42 4.57 0.00 3.10 2.52 0.00 0.00 7.33 6.79 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 30 I 8.32 3.02 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.90 0.00 0.00 31 L 7.85 3.32 0.00 1.84 1.54 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 32 A 6.98 4.30 1.29 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 0.00 0.00 33 R 9.45 3.86 0.00 2.82 1.46 0.00 3.26 0.00 0.00 3.14 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 34 R 8.69 3.20 0.00 1.76 2.05 0.00 3.23 0.00 0.00 3.36 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 35 R 8.94 3.67 0.00 2.05 1.07 0.00 3.29 0.00 0.00 3.19 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 36 A 10.28 3.44 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 37 K 8.29 3.81 0.00 2.09 2.20 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 38 G 9.33 4.06 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 0.00 0.00 0.00 39 R 8.87 4.35 0.00 1.79 1.33 0.00 3.28 0.00 0.00 3.18 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 40 H 9.02 3.90 0.00 3.25 3.18 0.00 5.84 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 41 Q 10.00 4.43 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.23 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 42 L 5.62 4.93 0.00 1.62 1.47 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.01 4.71 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 1.09 0.00 0.00 44 V 7.88 3.04 1.17 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 1.08 0.00 0.00 0.89 0.00 0.00 45 S 6.20 4.07 0.00 4.05 3.97 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 46 D 10.30 4.32 0.00 2.74 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