NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8888 8.3549 109.7364 45.1248 0.0000 174.5358 2 S 4.1291 8.5651 119.4068 58.6563 61.2726 173.0353 3 M 4.6823 8.6913 130.5726 53.4059 32.7523 176.2979 4 D 4.3811 7.8195 117.7573 55.0008 42.0676 176.6453 5 E 4.6337 8.3125 123.6166 54.9095 31.4492 175.1661 6 S 4.5772 8.1149 115.2643 57.7266 65.4466 175.3314 7 G 3.7437 8.7812 112.6007 47.4730 0.0000 174.3613 8 L 3.8860 7.7424 121.9588 53.7794 42.3721 173.6159 9 P 4.1854 0.0000 0.0000 63.0742 31.0639 175.7879 10 Q 4.5004 8.3191 121.0629 54.8802 30.2785 175.0600 11 L 4.8779 7.9714 117.5405 52.8283 45.6753 177.1305 12 T 4.4329 8.1440 117.4150 62.5975 71.2045 176.2619 13 S 4.1818 8.7759 118.9241 61.8326 62.4995 176.3980 14 Y 4.2368 7.9319 122.4782 60.4760 38.6906 176.5128 15 D 4.2067 8.2395 118.3250 57.0399 41.0183 177.6153 16 C 4.1532 7.8871 118.7506 61.8595 31.6721 174.9812 17 E 3.8157 7.6931 119.0735 59.2260 29.2634 178.7187 18 V 3.4938 7.7979 117.4444 66.0440 31.6680 177.3497 19 N 4.6284 7.5132 113.7047 55.5390 39.4084 174.6429 20 A 4.3152 8.2133 120.7521 51.0691 20.5655 173.8772 21 P 4.6437 0.0000 0.0000 62.5719 32.8611 176.9019 22 I 4.0091 8.0981 118.0346 61.1891 37.9169 175.2909 23 Q 3.4230 8.1340 119.5163 56.8412 26.0912 172.0760 24 G 3.7714 8.5183 108.5402 45.1929 0.0000 171.1267 25 S 3.6080 8.3674 118.9429 57.3773 61.0572 171.3464 26 R 3.8458 8.3737 124.0843 55.9972 30.6563 176.2349 27 N 4.6408 8.3604 118.9015 53.1933 39.9829 175.4482 28 L 4.1372 8.4318 121.0121 57.4939 41.9519 178.1300 29 L 4.2110 7.8193 118.1595 55.5906 40.4520 175.1733 30 Q 4.4219 7.9241 122.5542 56.0441 34.2858 176.3527 31 G 3.5809 8.2823 106.1914 46.9002 0.0000 175.0275 32 E 4.0049 9.1993 125.0354 59.0846 30.5412 178.5500 33 E 4.0629 8.1398 119.1146 58.9346 29.5608 178.8943 34 L 3.9087 7.5671 119.4579 57.6230 41.2271 179.3691 35 L 4.1443 7.7889 118.4810 57.6609 41.5954 179.4284 36 R 4.0317 7.8293 116.8143 58.6518 30.1562 178.7249 37 A 4.1584 8.6244 121.2108 55.1478 18.5893 179.4557 38 L 3.9543 7.9925 116.3178 57.4276 42.1552 177.8204 39 D 4.8343 7.5553 116.6217 54.2947 42.1362 175.7051 40 Q 4.5377 7.6249 114.4311 54.8791 29.6683 175.8562 41 V 3.4598 7.8779 117.2579 63.9016 31.9782 175.0443 42 N 4.5527 8.7894 123.8670 53.9139 38.4764 174.2546 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 G 8.35 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 2 S 8.57 4.13 0.00 3.95 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 3 M 8.69 4.68 0.00 1.97 2.00 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 2.66 2.52 0.00 4 D 7.82 4.38 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.63 0.00 1.92 1.83 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 2.21 2.22 0.00 6 S 8.11 4.58 0.00 3.96 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 7 G 8.78 3.74 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 0.00 0.00 0.00 8 L 7.74 3.89 0.00 1.62 1.60 0.92 0.92 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 9 P 0.00 4.19 0.00 2.07 2.05 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 10 Q 8.32 4.50 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 11 L 7.97 4.88 0.00 1.60 1.56 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.14 4.43 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 13 S 8.78 4.18 0.00 4.08 4.19 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 14 Y 7.93 4.24 0.00 3.03 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 15 D 8.24 4.21 0.00 2.84 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 16 C 7.89 4.15 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 3.82 0.00 2.32 1.95 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 2.33 2.34 0.00 18 V 7.80 3.49 1.68 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 0.63 0.00 0.00 -0.55 0.00 0.00 19 N 7.51 4.63 0.00 2.99 2.78 0.00 0.00 7.00 7.80 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 20 A 8.21 4.32 1.18 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 0.00 0.00 21 P 0.00 4.64 0.00 2.18 2.19 0.00 3.73 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 1.95 1.95 0.00 22 I 8.10 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.97 0.00 0.00 23 Q 8.13 3.42 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 24 G 8.52 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 25 S 8.37 3.61 0.00 4.16 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 26 R 8.37 3.85 0.00 1.82 1.95 0.00 3.21 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 1.65 1.67 0.00 27 N 8.36 4.64 0.00 2.68 2.73 0.00 0.00 7.07 7.78 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 28 L 8.43 4.14 0.00 1.68 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.82 4.21 0.00 1.76 1.83 0.92 0.64 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 30 Q 7.92 4.42 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 31 G 8.28 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.20 4.00 0.00 2.25 2.22 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 2.36 2.46 0.00 33 E 8.14 4.06 0.00 2.03 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 2.40 2.40 0.00 34 L 7.57 3.91 0.00 1.99 1.72 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.79 4.14 0.00 1.69 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.83 4.03 0.00 1.97 1.99 0.00 3.32 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 37 A 8.62 4.16 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 38 L 7.99 3.95 0.00 1.70 1.78 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.56 4.83 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.62 4.54 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 41 V 7.88 3.46 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 42 N 8.79 4.55 0.00 2.89 2.78 0.00 0.00 7.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00