NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4083 8.3049 120.3490 54.9788 33.4089 174.9126 2 K 4.0349 8.5857 125.8396 55.6958 32.7756 174.9445 3 K 4.7243 9.2261 123.1075 54.6032 36.6192 175.0965 4 R 4.7566 7.9483 118.7504 54.7425 32.8580 175.4868 5 L 4.4290 7.8484 117.2347 55.4418 42.6201 174.0507 6 T 4.5574 8.4327 117.1631 61.7767 70.4208 173.7440 7 I 4.7188 8.0860 117.9678 59.2165 40.9391 174.2939 8 T 4.6784 8.2138 115.6492 61.7332 71.4644 173.7246 9 L 4.8780 8.1285 123.9768 52.1346 45.7935 177.0077 10 S 4.3203 8.4859 117.2244 58.0614 64.5080 174.8789 11 E 3.9354 8.7591 127.6464 59.7151 29.4526 179.0759 12 S 4.4013 8.2270 113.3730 61.9718 62.6353 176.4365 13 V 3.5200 7.6892 121.7340 64.9785 31.3622 177.3627 14 L 3.9200 8.5785 120.5538 58.6284 41.8250 178.3205 15 E 3.8789 9.0350 119.2150 59.6279 29.4638 178.6514 16 N 4.1660 8.6343 116.8865 57.3260 38.9153 175.9972 17 L 3.8383 8.6124 121.2605 58.4329 42.0109 178.5114 18 E 3.9129 8.8144 118.2028 59.7661 29.6046 179.8521 19 K 3.9471 8.3525 118.3795 59.8823 32.1847 179.1529 20 M 4.2492 8.8980 120.1672 57.7399 31.8942 178.6645 21 A 3.9604 8.3619 121.0289 55.3844 18.7439 179.3733 22 R 3.8138 8.0596 115.9862 59.9962 29.9937 178.8649 23 E 4.0100 8.4064 117.5932 59.6196 29.3720 178.6379 24 M 4.4875 8.0639 115.3469 54.3281 32.2935 176.3735 25 G 3.9539 7.7736 106.5972 46.6487 0.0000 173.7322 26 L 4.7979 7.6360 117.9643 51.9992 44.8317 177.3284 27 S 4.4758 8.1740 115.2687 57.8089 65.2819 175.4462 28 K 3.9180 8.4509 121.8599 59.7314 31.8432 179.6926 29 S 4.1012 8.0820 114.6715 61.5078 62.7194 176.5221 30 A 3.9383 9.2630 123.7773 55.3301 18.1092 178.9466 31 M 3.8917 8.5948 117.1847 59.1180 32.1200 178.3581 32 I 3.6656 8.0531 119.8142 64.6091 37.1964 178.4080 33 S 4.1067 8.0400 115.7558 61.7179 62.5198 176.6959 34 V 3.8831 8.0231 120.5993 66.2499 30.8556 177.3636 35 A 4.3603 8.2203 120.1725 55.6542 18.1196 179.1203 36 L 3.9810 8.7523 117.0376 58.2985 41.8216 179.4882 37 E 3.9630 9.1666 119.0086 59.7773 29.3345 178.9632 38 N 4.2526 8.9089 116.5773 56.9860 39.3031 175.5640 39 Y 4.3647 9.1185 121.5981 60.9386 38.7426 177.8885 40 K 3.6932 8.5288 120.4697 59.6690 32.0787 178.2816 41 K 3.9007 8.2783 119.1280 59.9256 31.9736 178.5403 42 G 3.8690 7.5528 104.6225 47.1273 0.0000 173.9198 43 Q 4.1664 7.1077 120.6072 55.1159 29.9423 176.3327 44 E 4.0931 8.6021 118.3584 57.1308 29.5905 174.6762 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 4.41 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.59 4.03 0.00 1.87 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.47 7.81 3 K 9.23 4.72 0.00 1.69 1.67 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.57 7.81 4 R 7.95 4.76 0.00 1.76 1.81 0.00 3.40 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 5 L 7.85 4.43 0.00 1.69 1.58 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.43 4.56 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 1.21 0.00 0.00 7 I 8.09 4.72 1.86 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 1.40 0.65 0.90 0.00 0.00 8 T 8.21 4.68 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 1.20 0.00 0.00 9 L 8.13 4.88 0.00 1.56 1.50 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.49 4.32 0.00 3.85 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 11 E 8.76 3.94 0.00 2.07 1.96 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 2.38 2.61 0.00 12 S 8.23 4.40 0.00 4.07 4.12 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 13 V 7.69 3.52 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 1.00 0.00 0.00 0.91 0.00 0.00 14 L 8.58 3.92 0.00 1.74 1.92 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.04 3.88 0.00 2.17 1.98 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 2.33 2.57 0.00 16 N 8.63 4.17 0.00 2.78 3.07 0.00 0.00 6.96 6.40 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 17 L 8.61 3.84 0.00 1.79 1.90 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.81 3.91 0.00 2.20 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 0.00 2.34 2.60 0.00 19 K 8.35 3.95 0.00 1.95 1.98 0.00 1.56 0.00 0.00 2.04 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 20 M 8.90 4.25 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.43 0.00 21 A 8.36 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.81 0.00 2.11 2.02 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 23 E 8.41 4.01 0.00 2.02 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 2.33 2.61 0.00 24 M 8.06 4.49 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 25 G 7.77 3.95 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 0.00 0.00 0.00 26 L 7.64 4.80 0.00 1.63 1.56 0.92 0.83 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 27 S 8.17 4.48 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 3.92 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 29 S 8.08 4.10 0.00 3.86 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 30 A 9.26 3.94 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 31 M 8.59 3.89 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 32 I 8.05 3.67 2.03 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 1.50 0.84 0.90 0.00 0.00 33 S 8.04 4.11 0.00 4.04 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 34 V 8.02 3.88 2.31 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 1.02 0.00 0.00 0.98 0.00 0.00 35 A 8.22 4.36 1.41 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 36 L 8.75 3.98 0.00 1.91 1.79 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.17 3.96 0.00 2.15 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 2.36 2.50 0.00 38 N 8.91 4.25 0.00 2.66 3.07 0.00 0.00 7.27 7.42 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 39 Y 9.12 4.36 0.00 2.97 3.22 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 0.00 40 K 8.53 3.69 0.00 1.86 2.03 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 41 K 8.28 3.90 0.00 1.78 1.93 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 42 G 7.55 3.87 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 0.00 0.00 0.00 43 Q 7.11 4.17 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.09 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 44 E 8.60 4.09 0.00 2.09 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 0.00 2.18 2.20 0.00