NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5790 8.1633 120.3361 54.9978 34.5848 177.2383 2 D 4.2495 8.2164 119.5180 56.9407 40.7167 176.9526 3 I 3.6962 7.9936 120.0944 64.1931 37.5854 177.4624 4 F 4.1449 8.3288 121.0143 61.7118 39.0785 177.1789 5 R 3.6681 8.2101 117.3772 59.1309 29.8664 178.7952 6 E 3.8479 8.1680 119.0034 59.2258 29.4583 178.9003 7 I 3.5987 7.6285 118.5503 64.2775 37.5250 177.8539 8 A 3.9540 7.8811 122.1923 55.1705 17.9489 179.7098 9 S 4.1897 7.9265 111.0434 60.5545 63.3291 175.9553 10 S 4.4066 7.5496 116.5298 59.3998 64.6158 173.8388 11 M 4.8032 7.7139 119.8063 53.2652 30.8266 175.3324 12 K 4.0243 7.8172 117.6639 58.8559 33.1478 178.3055 13 G 3.9373 8.8347 109.9795 45.7112 0.0000 172.9743 14 E 4.6957 7.7150 118.6267 54.0759 31.6152 175.8543 15 N 4.5958 8.4788 118.8911 53.5475 39.3081 174.9319 16 V 4.5169 8.1247 119.5892 61.2515 34.6845 174.7284 17 F 4.8745 8.7401 128.5526 56.9818 41.6363 173.0816 18 I 4.3628 7.6022 120.1313 58.4104 40.6950 175.4483 19 S 4.3277 7.9433 114.6744 55.5639 63.1063 172.1131 20 P 4.2195 0.0000 0.0000 65.2723 31.2386 176.6118 21 P 4.2173 0.0000 0.0000 65.4375 30.8339 178.5242 22 S 4.0866 7.6647 110.8721 61.4307 62.2992 176.4135 23 I 3.6935 7.4827 122.4961 64.6032 36.8209 178.7023 24 S 4.1782 8.3712 116.2070 61.5822 62.4629 177.0012 25 S 4.0925 8.1706 118.1483 61.4342 62.5427 176.8640 26 V 3.6022 7.5312 120.5652 65.9065 31.2514 178.0947 27 L 4.0063 8.0011 118.7426 58.1263 41.3685 179.6928 28 T 3.6785 8.1163 115.9430 66.4572 68.0568 176.8619 29 I 3.7175 7.1816 120.8298 64.1630 37.4141 178.0647 30 L 4.1333 7.9463 119.9150 58.0023 41.4890 178.8514 31 Y 4.0997 8.1495 119.4964 61.0741 38.4607 177.9009 32 Y 4.4310 7.7413 116.6725 60.1556 38.0148 177.7296 33 G 3.9808 7.7281 103.7345 43.5516 0.0000 173.5149 34 A 4.4358 6.7943 123.3855 51.4056 19.8158 176.1730 35 N 4.9685 7.9714 116.4548 52.3866 43.5614 175.4235 36 G 3.8854 8.5341 110.1504 46.4333 0.0000 176.7573 37 S 4.1910 8.6315 115.1561 61.5149 62.8368 176.6478 38 T 3.8456 7.9378 118.8030 66.5737 68.3015 176.1534 39 A 4.1012 7.6565 121.2192 55.1846 18.1713 179.2862 40 E 4.0039 7.9764 116.5747 59.6128 29.7797 178.8177 41 Q 4.1969 8.2696 117.4732 58.6338 29.0507 178.0423 42 L 4.4556 8.0900 119.9379 56.9563 41.8938 179.1760 43 S 3.5636 8.2453 115.0549 61.1137 62.4512 176.6136 44 K 3.7138 7.8666 120.9111 59.3620 32.0907 177.4621 45 Y 4.4401 7.5112 115.5453 57.6722 38.2533 175.6867 46 V 4.0942 7.2095 124.6972 62.5064 31.5550 175.4490 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 4.58 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 2 D 8.22 4.25 0.00 2.96 2.79 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 3 I 7.99 3.70 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.88 0.00 0.00 4 F 8.33 4.14 0.00 3.08 3.28 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 0.00 5 R 8.21 3.67 0.00 2.03 1.93 0.00 3.21 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 6 E 8.17 3.85 0.00 2.13 2.04 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 2.28 2.35 0.00 7 I 7.63 3.60 1.77 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 0.78 0.87 0.00 0.00 8 A 7.88 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.93 4.19 0.00 3.98 4.02 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 10 S 7.55 4.41 0.00 4.02 4.16 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 11 M 7.71 4.80 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 12 K 7.82 4.02 0.00 1.75 1.79 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.56 7.81 13 G 8.83 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.71 4.70 0.00 2.11 1.87 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 2.26 2.25 0.00 15 N 8.48 4.60 0.00 2.75 2.81 0.00 0.00 6.64 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 16 V 8.12 4.52 2.23 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 0.90 0.00 0.00 0.91 0.00 0.00 17 F 8.74 4.87 0.00 2.95 2.94 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 0.00 0.00 0.00 18 I 7.60 4.36 1.80 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.94 0.00 0.00 19 S 7.94 4.33 0.00 3.74 3.69 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 20 P 0.00 4.22 0.00 2.15 2.09 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 21 P 0.00 4.22 0.00 2.13 2.08 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 22 S 7.66 4.09 0.00 3.94 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 23 I 7.48 3.69 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.81 0.00 0.00 24 S 8.37 4.18 0.00 3.84 4.03 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 25 S 8.17 4.09 0.00 4.01 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 26 V 7.53 3.60 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 1.01 0.00 0.00 0.96 0.00 0.00 27 L 8.00 4.01 0.00 1.72 1.70 0.55 0.44 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 28 T 8.12 3.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 29 I 7.18 3.72 2.00 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 1.62 0.49 0.96 0.00 0.00 30 L 7.95 4.13 0.00 1.88 1.73 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.15 4.10 0.00 2.98 2.95 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 32 Y 7.74 4.43 0.00 3.16 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 33 G 7.73 3.98 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 0.00 0.00 0.00 34 A 6.79 4.44 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 35 N 7.97 4.97 0.00 2.72 2.58 0.00 0.00 6.83 8.31 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 36 G 8.53 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 0.00 0.00 0.00 37 S 8.63 4.19 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 3.85 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 1.23 0.00 0.00 39 A 7.66 4.10 1.28 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 0.00 0.00 0.00 40 E 7.98 4.00 0.00 2.06 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 2.35 2.39 0.00 41 Q 8.27 4.20 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 42 L 8.09 4.46 0.00 1.97 1.88 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.25 3.56 0.00 3.88 4.36 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 44 K 7.87 3.71 0.00 1.15 1.67 0.00 1.36 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.24 0.81 7.81 45 Y 7.51 4.44 0.00 3.04 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 46 V 7.21 4.09 1.79 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 0.89 0.00 0.00 0.11 0.00 0.00