NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5524 8.3049 120.3754 55.2836 33.7220 173.1231 2 I 3.0382 7.1666 120.3472 58.9524 37.6188 169.0033 3 V 2.8950 8.4361 123.8474 61.8442 32.8823 174.2978 4 P 4.3271 0.0000 0.0000 61.0570 30.3577 176.3286 5 V 3.4749 8.2316 122.9170 64.2686 31.8896 175.3897 6 R 3.4277 8.4506 122.5518 56.9855 29.3505 175.4191 7 C 4.0835 7.9783 119.8108 58.4161 31.7060 173.5724 8 F 4.4508 7.6350 124.8944 60.5962 39.0097 176.7380 9 S 4.2408 8.1765 119.0635 62.2835 63.3503 176.0988 10 C 4.1626 7.9556 113.2526 61.4731 30.0501 174.7472 11 G 4.4097 8.2655 105.5084 44.1676 0.0000 173.1735 12 K 4.0350 8.1547 122.3328 55.7431 32.6331 175.8779 13 V 3.5848 8.0854 125.0972 63.6071 31.9020 176.2552 14 V 4.4296 8.1624 122.7116 63.7183 33.0516 175.1855 15 G 3.7551 8.1281 109.0426 47.6716 0.0000 175.4480 16 D 4.5236 8.2612 119.7246 56.4128 40.2133 178.9792 17 K 4.0373 8.0660 120.2213 58.5510 31.9984 177.4920 18 W 4.4785 8.5989 129.3592 60.5548 30.4804 177.2922 19 E 3.7857 8.3434 117.2400 59.7197 28.9884 179.4800 20 S 4.0897 8.1014 113.2428 61.8685 63.1942 175.9691 21 Y 3.9998 8.3162 122.2204 60.6153 38.4582 177.3123 22 L 3.5591 8.0531 121.2408 57.4129 41.8292 178.1261 23 N 4.2454 7.6219 116.4139 55.9873 38.6592 176.6271 24 L 4.2377 7.4616 116.5091 55.9842 41.1297 177.2983 25 L 4.4639 7.9854 117.4149 55.4570 44.9253 178.3616 26 Q 3.8611 7.6937 122.6111 59.6111 29.1927 178.4358 27 E 3.9601 7.8576 117.5998 58.3300 29.0576 179.1262 28 D 4.5723 8.9594 122.6951 58.7490 40.8849 179.4696 29 E 3.9158 8.4761 116.5106 59.3306 24.7196 175.5987 30 L 4.7618 7.8684 121.4966 52.4366 45.4988 175.2681 31 D 4.9443 7.9108 118.0439 52.4025 42.0588 176.4083 32 E 3.1990 8.7022 114.2438 56.1926 30.8286 180.5778 33 G 4.0333 8.5902 110.6837 48.4424 0.0000 175.4934 34 T 3.9360 8.0222 118.5953 65.9267 68.3928 176.6211 35 A 3.9746 8.3320 123.2010 55.2526 18.2209 179.5605 36 L 4.0265 8.0410 116.6437 58.3720 41.6139 179.6377 37 S 4.1513 7.7406 113.1366 61.8971 62.7813 176.7116 38 R 4.0923 8.0669 121.1805 59.1946 29.6868 177.8766 39 L 4.3328 7.8161 115.6045 55.5374 41.6118 177.8490 40 G 3.9674 7.8420 108.5752 45.2197 0.0000 174.5361 41 L 4.1546 7.1050 118.9397 55.0707 39.5335 177.0391 42 K 4.1373 8.1859 124.0764 58.4543 33.1768 177.6534 43 R 4.5377 7.6586 116.3142 55.4258 31.4664 176.4259 44 Y 4.2960 9.5454 120.4265 60.8480 37.0712 178.3137 45 C 3.8076 7.7962 115.6422 61.7200 27.9880 175.7003 46 C 4.2350 7.9081 116.5882 59.6254 29.6254 175.2057 47 R 3.7560 7.8987 122.5648 59.2107 29.8282 178.0877 48 R 3.9436 9.5259 116.2651 59.6824 29.0191 177.9271 49 M 3.7492 7.5953 117.6127 58.8108 31.8708 178.4768 50 I 3.7762 6.8847 117.6957 64.2177 37.5908 177.9866 51 L 4.0891 7.5099 118.4998 57.3840 41.8686 177.3678 52 T 4.4557 7.5637 113.1090 64.8676 70.9364 174.4322 53 H 3.9273 7.6729 120.3893 56.5546 30.0629 174.4586 54 V 4.0182 7.9308 125.8154 60.9129 32.6075 176.2221 55 D 4.6210 8.0336 130.9334 54.4544 37.1230 176.3396 56 L 3.8391 7.8201 123.1935 57.6817 42.1315 178.9083 57 I 4.2892 8.3272 118.1811 64.6397 37.8370 177.0362 58 E 4.1076 8.1301 118.6562 59.5389 29.1591 179.2321 59 K 3.8017 7.9223 116.5260 59.6496 32.1727 178.7175 60 F 4.7952 7.5663 116.4025 61.0325 39.2521 177.4234 61 L 4.2938 8.9880 118.9506 57.7559 41.0573 178.9189 62 R 4.0465 7.5337 115.6387 56.2663 30.0908 176.1355 63 Y 4.0199 8.1112 115.5652 57.5118 38.7036 175.5267 64 N 4.4978 9.1453 128.9539 53.9410 45.7800 171.9017 65 P 4.4638 0.0000 0.0000 62.9907 31.6394 176.8961 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 4.55 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 2 I 7.17 3.04 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.13 0.80 0.00 0.00 3 V 8.44 2.90 1.90 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 0.69 0.00 0.00 0.13 0.00 0.00 4 P 0.00 4.33 0.00 1.73 1.71 0.00 3.43 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 5 V 8.23 3.47 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.45 3.43 0.00 1.91 2.01 0.00 3.25 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 7 C 7.98 4.08 0.00 2.83 2.72 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 8 F 7.64 4.45 0.00 3.04 2.85 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 9 S 8.18 4.24 0.00 3.81 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 10 C 7.96 4.16 0.00 3.06 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 11 G 8.27 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.04 0.00 1.80 1.69 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.42 7.81 13 V 8.09 3.58 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 0.81 0.00 0.00 0.93 0.00 0.00 14 V 8.16 4.43 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 0.78 0.00 0.00 0.95 0.00 0.00 15 G 8.13 3.76 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 0.00 0.00 0.00 16 D 8.26 4.52 0.00 2.96 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 17 K 8.07 4.04 0.00 1.94 2.02 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.66 7.81 18 W 8.60 4.48 0.00 3.40 3.06 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 19 E 8.34 3.79 0.00 2.08 2.01 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 2.56 2.59 0.00 20 S 8.10 4.09 0.00 4.05 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 21 Y 8.32 4.00 0.00 3.01 3.01 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 22 L 8.05 3.56 0.00 0.80 1.35 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.62 4.25 0.00 3.13 2.68 0.00 0.00 7.04 6.68 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 24 L 7.46 4.24 0.00 1.47 1.51 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.99 4.46 0.00 1.59 1.33 0.68 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.69 3.86 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 27 E 7.86 3.96 0.00 2.16 1.70 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 2.36 2.28 0.00 28 D 8.96 4.57 0.00 2.57 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 3.92 0.00 1.98 2.06 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 2.27 2.39 0.00 30 L 7.87 4.76 0.00 1.77 1.51 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.91 4.94 0.00 2.79 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 32 E 8.70 3.20 0.00 2.15 1.85 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 2.48 2.65 0.00 33 G 8.59 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 0.00 0.00 0.00 34 T 8.02 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 35 A 8.33 3.97 1.24 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 0.00 0.00 36 L 8.04 4.03 0.00 1.91 1.80 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.74 4.15 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 38 R 8.07 4.09 0.00 1.98 2.13 0.00 3.07 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 1.63 1.67 0.00 39 L 7.82 4.33 0.00 1.85 1.76 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.84 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 0.00 0.00 0.00 41 L 7.10 4.15 0.00 1.74 1.70 0.93 0.86 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 42 K 8.19 4.14 0.00 1.74 1.82 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.45 7.81 43 R 7.66 4.54 0.00 2.23 2.13 0.00 3.06 0.00 0.00 3.42 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 44 Y 9.55 4.30 0.00 3.26 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 45 C 7.80 3.81 0.00 3.05 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 46 C 7.91 4.23 0.00 3.15 3.19 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 0.00 0.00 0.00 0.00 47 R 7.90 3.76 0.00 2.18 2.04 0.00 3.29 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 48 R 9.53 3.94 0.00 2.16 2.28 0.00 2.90 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.03 0.00 49 M 7.60 3.75 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 I 6.88 3.78 1.71 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 0.32 0.00 0.00 51 L 7.51 4.09 0.00 1.66 1.83 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.56 4.46 4.30 0.00 0.00 0.00 0.00 0.00 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 53 H 7.67 3.93 0.00 2.88 3.01 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.93 4.02 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 0.83 0.00 0.00 0.99 0.00 0.00 55 D 8.03 4.62 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.82 3.84 0.00 1.99 1.20 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.33 4.29 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.49 1.05 0.00 0.00 58 E 8.13 4.11 0.00 2.14 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 2.63 2.60 0.00 59 K 7.92 3.80 0.00 1.37 1.75 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.27 7.81 60 F 7.57 4.80 0.00 3.31 3.09 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 61 L 8.99 4.29 0.00 1.94 1.81 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.53 4.05 0.00 1.90 1.75 0.00 3.19 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 63 Y 8.11 4.02 0.00 3.25 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.15 4.50 0.00 2.69 2.54 0.00 0.00 6.94 7.69 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 65 P 0.00 4.46 0.00 2.23 2.03 0.00 3.91 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 1.98 0.00