NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7075 8.2833 119.2048 53.2383 40.4655 175.2350 2 Q 3.8189 8.5657 122.9381 58.7236 28.7680 177.7506 3 K 4.0185 8.7966 120.2282 59.3710 32.3836 179.0772 4 Q 4.0176 7.9957 118.1613 58.7434 28.7588 178.2680 5 I 3.7480 7.8989 120.6343 64.4215 37.1469 178.1114 6 A 4.0319 8.1732 121.5011 55.3572 18.2167 179.0909 7 N 4.2692 8.4130 115.4359 57.0800 38.9378 177.1429 8 Q 4.0342 7.9385 119.4994 58.7413 28.7355 178.4057 9 F 4.0919 8.4196 121.6621 61.4445 39.5409 176.8284 10 N 4.1861 8.5940 116.2216 56.1155 38.4636 177.0512 11 K 3.7911 8.0735 120.6242 59.7154 32.2251 178.5111 12 A 3.9466 8.1142 120.9803 55.3130 18.2434 179.7167 13 I 3.4364 7.7666 118.6880 64.2562 37.1543 178.4994 14 S 4.3552 7.9368 115.4310 60.9808 62.1965 176.3647 15 Q 3.9920 7.9851 120.4757 58.7077 28.4310 178.5463 16 I 3.6339 7.8848 120.9911 64.4839 36.8346 178.0544 17 Q 3.9275 8.3558 119.1999 59.4143 28.6371 179.3417 18 E 4.0362 8.3474 121.0522 58.5931 29.4712 178.9732 19 S 4.1631 8.0929 114.4729 61.0376 63.1564 176.6083 20 L 3.9667 7.9492 123.0225 57.8024 41.5640 179.4360 21 T 3.9063 7.7915 109.4997 65.0055 68.6788 176.5649 22 T 3.9406 8.0261 118.6602 66.6545 68.4841 176.4519 23 T 3.8232 8.0463 117.5292 66.8580 68.5636 176.2289 24 S 4.0751 8.5135 115.1569 62.1135 62.2314 176.6196 25 T 3.8738 8.0620 117.7715 66.5194 68.2109 176.6944 26 A 3.9824 8.0461 122.7232 55.1207 18.3347 179.5823 27 L 4.0503 8.2087 117.7939 57.8508 41.6836 180.0501 28 G 3.5966 8.2152 105.5643 47.8607 0.0000 175.9619 29 K 4.0449 8.2249 121.3557 58.9799 31.9314 179.5717 30 L 3.9718 8.0757 119.3658 57.7894 41.6104 179.2146 31 Q 3.9458 8.3991 119.8627 59.2141 28.8508 178.1693 32 D 4.3062 8.1554 119.8219 57.4723 40.8668 179.0274 33 V 3.5658 7.7454 118.7093 65.8137 31.4680 177.9919 34 V 3.5823 8.0175 118.3221 66.3766 31.3280 177.8496 35 N 4.3509 8.1527 115.9071 55.9747 38.3711 177.1526 36 Q 3.9615 8.3587 121.4247 59.5599 29.1890 178.4829 37 N 4.3752 8.6226 117.4065 55.9459 38.4114 177.3809 38 A 4.0040 8.1810 122.6634 55.1287 18.3739 179.5935 39 Q 3.9085 8.2263 116.3224 59.1679 28.8394 178.9930 40 A 3.9727 8.1106 121.6971 55.1295 18.4072 179.4930 41 L 3.9387 8.0111 118.8427 58.3400 42.1964 178.9586 42 N 4.4008 8.5325 116.8704 56.5580 38.4203 177.6044 43 T 3.9399 8.2951 117.6625 66.2377 68.5041 176.6837 44 L 3.9179 7.8767 122.4514 58.0654 42.1627 178.9402 45 V 3.5582 7.7704 118.2433 65.9923 31.1631 177.8259 46 K 3.8949 7.7409 117.7602 59.6430 32.4313 178.4638 47 Q 4.1308 8.1894 118.1977 59.1071 28.4698 178.6760 48 L 4.0245 8.2282 118.8549 57.9349 41.7206 179.2843 49 S 4.4153 7.8934 113.3098 59.5484 63.0266 174.3951 50 S 4.3100 7.7162 121.1641 58.2678 62.8609 173.7300 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 N 8.28 4.71 0.00 2.82 2.75 0.00 0.00 7.09 6.19 0.00 0.00 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 Q 8.57 3.82 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 3 K 8.80 4.02 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 4 Q 8.00 4.02 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 5 I 7.90 3.75 2.00 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 1.46 0.93 0.88 0.00 0.00 6 A 8.17 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.41 4.27 0.00 3.20 2.86 0.00 0.00 7.26 6.58 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 8 Q 7.94 4.03 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 9 F 8.42 4.09 0.00 3.22 3.25 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 0.00 10 N 8.59 4.19 0.00 2.82 2.88 0.00 0.00 6.72 8.06 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 11 K 8.07 3.79 0.00 1.92 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 A 8.11 3.95 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 13 I 7.77 3.44 1.65 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.11 0.77 0.00 0.00 14 S 7.94 4.36 0.00 3.85 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 15 Q 7.99 3.99 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 16 I 7.88 3.63 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.87 0.00 0.00 17 Q 8.36 3.93 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 18 E 8.35 4.04 0.00 2.05 1.93 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 2.29 2.17 0.00 19 S 8.09 4.16 0.00 4.09 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 20 L 7.95 3.97 0.00 1.87 1.74 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.79 3.91 4.23 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 1.24 0.00 0.00 22 T 8.03 3.94 4.47 0.00 0.00 0.00 0.00 0.00 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 23 T 8.05 3.82 4.40 0.00 0.00 0.00 0.00 0.00 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 24 S 8.51 4.08 0.00 3.90 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 T 8.06 3.87 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 1.21 0.00 0.00 26 A 8.05 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.05 0.00 1.82 1.73 0.92 0.72 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 28 G 8.22 3.60 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 0.00 0.00 0.00 29 K 8.22 4.04 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 30 L 8.08 3.97 0.00 1.85 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.40 3.95 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 8.16 4.31 0.00 2.95 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 33 V 7.75 3.57 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 1.06 0.00 0.00 0.99 0.00 0.00 34 V 8.02 3.58 2.17 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 1.05 0.00 0.00 0.96 0.00 0.00 35 N 8.15 4.35 0.00 2.88 2.84 0.00 0.00 6.69 7.75 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 36 Q 8.36 3.96 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 37 N 8.62 4.38 0.00 2.74 2.85 0.00 0.00 6.98 6.97 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 38 A 8.18 4.00 1.38 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 0.00 0.00 0.00 39 Q 8.23 3.91 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 40 A 8.11 3.97 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 41 L 8.01 3.94 0.00 1.88 1.83 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.53 4.40 0.00 2.93 2.85 0.00 0.00 7.03 7.39 0.00 0.00 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 T 8.30 3.94 4.40 0.00 0.00 0.00 0.00 0.00 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 44 L 7.88 3.92 0.00 1.88 1.86 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.77 3.56 2.21 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 0.94 0.00 0.00 1.00 0.00 0.00 46 K 7.74 3.89 0.00 1.78 1.99 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.53 7.81 47 Q 8.19 4.13 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 48 L 8.23 4.02 0.00 1.76 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.89 4.42 0.00 3.97 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 50 S 7.72 4.31 0.00 3.96 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