NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4208 8.3049 118.1938 54.7792 32.8590 174.9146 2 K 4.1980 7.9673 119.5484 55.8757 33.1627 172.7931 3 V 3.9765 8.0494 111.8440 63.5440 34.8772 178.1736 4 R 3.1709 7.6986 109.7807 56.2458 30.2809 175.8633 5 A 4.0886 8.5125 126.5790 54.5413 18.7324 178.2017 6 S 4.8003 7.7470 108.5668 57.1765 64.9579 172.8809 7 V 4.3136 7.5892 110.9793 61.0351 33.8213 173.9818 8 K 3.9662 7.8926 123.4534 55.4656 31.7974 175.9680 9 K 4.4168 8.3008 120.1809 56.1860 33.2063 176.6032 10 L 4.5442 8.3920 118.4429 56.0567 44.6059 176.2250 11 C 4.7715 7.5762 111.9556 53.2885 43.6113 174.4585 12 R 3.8555 8.3681 116.1767 58.1425 27.8550 176.9108 13 N 4.6945 7.8588 115.3720 53.3612 39.4538 174.7389 14 C 4.8555 7.3772 115.5004 59.7234 28.5967 173.8458 15 K 4.3701 8.2595 117.8919 54.8535 34.2891 176.3928 16 I 3.2755 7.9912 114.9890 62.2153 34.5742 173.4687 17 V 4.2997 8.7149 124.5058 60.6224 34.2007 174.2564 18 K 4.5502 8.7362 128.7903 56.1042 32.6327 175.9622 19 R 4.7488 8.4984 125.0587 55.4968 34.7514 176.5614 20 D 4.5712 8.8975 121.4212 55.6195 40.3100 175.0668 21 G 4.2621 8.9335 111.8657 45.8596 0.0000 172.3505 22 V 4.4558 8.3414 119.1494 60.7349 35.5142 174.1366 23 I 4.5689 8.4428 128.5237 61.1531 38.4555 175.3669 24 R 5.1607 9.2494 126.0562 54.3109 34.0148 174.8186 25 V 4.7695 8.2229 118.8648 61.3873 35.3791 174.2741 26 I 4.6974 8.2919 126.8584 59.8157 40.3793 174.6251 27 C 5.2220 8.8934 127.6988 55.3918 44.5674 173.4649 28 S 4.2304 8.1816 118.6835 59.6392 63.3493 175.3507 29 A 4.1988 8.1108 122.8078 53.6694 19.3375 176.9511 30 E 4.5326 7.7590 118.6858 53.7301 31.6068 173.7725 31 P 4.2298 0.0000 0.0000 65.7733 31.4936 178.5098 32 K 4.1907 8.0218 114.8951 58.3303 31.9465 176.7460 33 H 4.7537 8.1567 115.4685 55.4120 29.6579 175.4673 34 K 4.4481 7.7147 121.0982 56.5833 33.0367 175.5671 35 Q 4.7683 8.4705 123.6535 55.2352 34.0345 173.0355 36 R 4.5683 8.3220 118.9644 56.0411 33.2387 173.4651 37 Q 3.2347 8.5201 115.8817 57.2343 27.1994 174.1889 38 G 3.7532 7.9659 109.8132 45.9867 0.0000 172.4831 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 4.42 0.00 2.14 2.14 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 2.46 2.57 0.00 2 K 7.97 4.20 0.00 1.84 1.76 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 V 8.05 3.98 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 0.77 0.00 0.00 0.93 0.00 0.00 4 R 7.70 3.17 0.00 2.00 2.27 0.00 3.03 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.95 0.00 5 A 8.51 4.09 1.30 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 0.00 0.00 0.00 6 S 7.75 4.80 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.59 4.31 2.09 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 0.93 0.00 0.00 0.93 0.00 0.00 8 K 7.89 3.97 0.00 1.92 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.45 7.81 9 K 8.30 4.42 0.00 1.72 1.72 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 10 L 8.39 4.54 0.00 1.54 1.68 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.58 4.77 0.00 3.01 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 12 R 8.37 3.86 0.00 1.93 2.09 0.00 3.01 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 13 N 7.86 4.69 0.00 2.75 2.86 0.00 0.00 7.13 7.66 0.00 0.00 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 C 7.38 4.86 0.00 3.18 2.87 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 15 K 8.26 4.37 0.00 1.84 1.76 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.43 7.81 16 I 7.99 3.28 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 0.64 0.91 0.00 0.00 17 V 8.71 4.30 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 0.96 0.00 0.00 0.97 0.00 0.00 18 K 8.74 4.55 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.46 7.81 19 R 8.50 4.75 0.00 1.88 1.75 0.00 3.33 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 20 D 8.90 4.57 0.00 2.77 1.91 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 21 G 8.93 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 0.00 0.00 0.00 0.00 22 V 8.34 4.46 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 0.97 0.00 0.00 0.93 0.00 0.00 23 I 8.44 4.57 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 1.34 0.93 0.91 0.00 0.00 24 R 9.25 5.16 0.00 1.80 1.88 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 25 V 8.22 4.77 2.09 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 1.10 0.00 0.00 0.99 0.00 0.00 26 I 8.29 4.70 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 1.23 1.28 0.91 0.00 0.00 27 C 8.89 5.22 0.00 3.00 3.12 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 28 S 8.18 4.23 0.00 4.00 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 29 A 8.11 4.20 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 30 E 7.76 4.53 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 2.38 2.50 0.00 31 P 0.00 4.23 0.00 2.21 2.12 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 32 K 8.02 4.19 0.00 1.60 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.66 7.81 33 H 8.16 4.75 0.00 3.11 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.71 4.45 0.00 1.82 1.78 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.28 7.81 35 Q 8.47 4.77 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.34 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 36 R 8.32 4.57 0.00 1.80 1.78 0.00 3.41 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 37 Q 8.52 3.23 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 38 G 7.97 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00