NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4782 8.3049 120.3335 54.8141 33.7296 175.2137 2 D 4.2632 8.3523 119.4068 54.4139 41.4635 174.5107 3 I 4.5348 9.0640 126.1111 60.9003 39.8238 174.1075 4 Y 4.9390 8.9428 123.3207 56.1467 41.5532 174.8011 5 V 4.9078 8.9137 121.5132 61.0190 35.3339 174.1824 6 C 3.3907 8.9203 128.9747 59.0386 31.6728 174.4730 7 T 3.9273 8.4660 117.3605 63.7685 68.9573 176.1693 8 V 3.7841 7.7202 121.9849 65.2665 31.7367 176.1620 9 C 4.6677 8.0182 109.7780 57.1489 30.9096 174.6798 10 G 3.9172 8.3833 108.9659 44.8890 0.0000 173.0816 11 Y 4.2538 7.8544 121.2045 58.2045 40.0494 174.5149 12 E 5.0200 7.8984 124.9374 54.7591 31.5607 174.8357 13 Y 4.2926 9.3681 127.3778 57.2453 40.1502 173.6753 14 D 4.7744 7.7938 127.8049 51.5780 42.5392 174.7792 15 P 4.1236 0.0000 0.0000 65.5163 31.4521 178.5557 16 A 4.0178 7.9955 121.3070 54.3645 18.4349 178.3951 17 K 4.1569 7.9744 114.6571 56.2190 33.4804 178.8726 18 G 4.0873 7.8527 106.7908 45.8952 0.0000 174.5374 19 D 4.9437 8.5906 111.2209 52.6007 43.0930 174.4555 20 P 4.3487 0.0000 0.0000 65.2774 31.9223 178.5839 21 D 4.3897 8.2376 116.3591 56.6621 40.8513 177.0668 22 S 4.6607 8.2948 113.9660 58.0177 62.9440 174.2608 23 G 3.7910 8.4052 107.9397 46.6216 0.0000 174.2761 24 I 4.3193 7.5876 121.0132 58.7565 38.2324 175.6890 25 K 4.4349 8.2972 125.2021 55.0814 32.7469 175.2918 26 P 4.1819 0.0000 0.0000 64.5932 31.6049 177.1012 27 G 3.9337 9.0408 111.0750 45.3386 0.0000 173.6311 28 T 4.0826 7.3002 117.4027 62.7154 68.8227 174.9654 29 K 4.2613 8.4898 126.2735 56.0244 33.1881 177.6516 30 F 3.4124 9.1361 124.2862 61.2577 39.1117 176.9690 31 E 3.8219 7.9522 115.3474 57.8165 29.7651 176.6799 32 D 4.5159 7.6333 118.7072 54.2338 41.2381 176.6357 33 L 3.7436 6.9237 120.8733 53.3035 42.2019 175.4344 34 P 4.3022 0.0000 0.0000 62.6585 31.7530 176.8710 35 D 4.3386 8.4662 119.1181 56.5487 41.3158 176.4678 36 D 4.6540 7.9167 116.5190 53.3839 40.2153 176.1687 37 W 4.3014 8.1771 131.5006 57.7208 31.7210 174.6136 38 A 4.7466 7.0405 126.3330 49.3778 22.2460 175.2471 39 C 3.5271 8.6370 120.6039 59.1580 31.8848 173.4267 40 P 4.0393 0.0000 0.0000 65.2417 31.4263 178.0681 41 V 3.7588 7.4583 117.2287 65.1461 31.6448 176.2629 42 C 4.5354 8.0022 110.4931 57.2898 30.9913 174.7035 43 G 3.7660 8.1298 108.2998 45.0039 0.0000 173.7455 44 A 4.1316 7.5045 122.4968 51.6517 19.2372 177.2316 45 S 4.4582 8.4611 114.3308 57.8292 63.4852 174.9959 46 K 4.0513 8.7018 126.7160 60.1663 31.8663 177.9394 47 D 4.7815 8.3531 114.8085 55.1494 40.8749 176.6215 48 A 4.4486 8.6188 122.8621 52.7658 19.1391 177.3076 49 F 5.2413 8.5610 115.2849 56.6005 40.5463 175.0569 50 E 4.9182 9.1202 118.6663 54.0103 33.4626 174.7183 51 K 3.1047 8.2030 122.1432 55.8844 32.9245 176.3388 52 Q 4.1177 8.5017 127.9404 56.4327 28.5581 175.7281 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 4.48 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 D 8.35 4.26 0.00 2.98 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 3 I 9.06 4.53 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.93 0.00 0.00 4 Y 8.94 4.94 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.91 4.91 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 1.08 0.00 0.00 0.91 0.00 0.00 6 C 8.92 3.39 0.00 2.31 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 7 T 8.47 3.93 4.22 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 1.24 0.00 0.00 8 V 7.72 3.78 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 0.82 0.00 0.00 0.92 0.00 0.00 9 C 8.02 4.67 0.00 3.08 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 8.38 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 0.00 0.00 0.00 11 Y 7.85 4.25 0.00 3.12 2.96 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 12 E 7.90 5.02 0.00 1.66 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 13 Y 9.37 4.29 0.00 3.38 3.16 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 14 D 7.79 4.77 0.00 2.64 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 4.12 0.00 2.27 2.53 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 16 A 8.00 4.02 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 17 K 7.97 4.16 0.00 1.76 1.86 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.48 7.81 18 G 7.85 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 19 D 8.59 4.94 0.00 3.17 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 20 P 0.00 4.35 0.00 2.26 2.14 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 21 D 8.24 4.39 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.66 0.00 4.23 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 23 G 8.41 3.79 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 0.00 0.00 0.00 24 I 7.59 4.32 2.08 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 1.64 0.90 0.88 0.00 0.00 25 K 8.30 4.43 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.47 7.81 26 P 0.00 4.18 0.00 2.04 2.15 0.00 3.67 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 2.04 2.25 0.00 27 G 9.04 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 7.30 4.08 4.28 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 1.09 0.00 0.00 29 K 8.49 4.26 0.00 1.96 1.94 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.58 1.45 7.81 30 F 9.14 3.41 0.00 2.80 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 31 E 7.95 3.82 0.00 2.05 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 0.00 2.21 2.25 0.00 32 D 7.63 4.52 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.92 3.74 0.00 0.81 0.86 -1.45 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.39 2.13 0.00 3.48 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 35 D 8.47 4.34 0.00 2.61 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 36 D 7.92 4.65 0.00 2.81 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 37 W 8.18 4.30 0.00 3.32 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 A 7.04 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.64 3.53 0.00 3.21 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 40 P 0.00 4.04 0.00 1.74 1.97 0.00 2.45 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.14 0.00 41 V 7.46 3.76 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 0.84 0.00 0.00 1.01 0.00 0.00 42 C 8.00 4.54 0.00 3.06 2.98 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 0.00 0.00 0.00 43 G 8.13 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.13 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 45 S 8.46 4.46 0.00 3.91 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 46 K 8.70 4.05 0.00 2.17 1.88 0.00 1.41 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.08 7.81 47 D 8.35 4.78 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.45 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.56 5.24 0.00 3.44 3.16 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 50 E 9.12 4.92 0.00 1.95 2.02 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 2.32 2.15 0.00 51 K 8.20 3.10 0.00 1.19 1.44 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.58 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.03 0.97 7.81 52 Q 8.50 4.12 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.32 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00