NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.0440 8.3144 120.1147 56.5650 32.4380 174.8280 2 Y 3.9586 7.6275 123.9010 56.7779 40.0157 172.2411 3 Y 4.6884 6.1958 118.1564 56.6642 42.6418 173.9702 4 G 3.8383 8.4368 108.6308 45.7951 0.0000 171.6697 5 N 4.2059 8.8779 115.8556 55.2535 38.9833 175.1964 6 G 4.0799 8.7773 112.0737 46.6431 0.0000 172.3599 7 V 4.4489 7.0000 117.0944 60.9561 34.2939 175.0758 8 H 4.6226 8.7173 124.6422 55.0849 32.0343 172.4165 9 C 4.8435 8.7295 121.2899 55.4385 41.3116 175.3271 10 T 4.4798 7.5084 117.9594 61.4132 70.4414 172.8538 11 K 4.3834 8.1512 115.8402 56.4281 34.4166 175.7909 12 S 3.6718 8.7562 109.9875 58.5510 61.1058 171.7079 13 G 4.3450 7.7781 115.1688 45.9231 0.0000 172.9764 14 C 4.6278 8.2169 123.1390 57.5507 41.2611 173.7342 15 S 4.4618 8.0234 114.0503 56.2056 62.0917 174.9252 16 V 3.4243 7.7429 119.3591 63.4208 31.4677 175.6168 17 N 4.6195 8.5121 124.7520 52.5266 36.7034 175.7733 18 W 4.4635 8.5725 123.7608 58.4986 29.2889 178.1059 19 G 3.6335 8.0732 106.1138 47.8907 0.0000 175.8304 20 E 4.1027 8.2944 120.8998 58.4635 29.4216 178.9105 21 A 4.2141 7.8583 120.5457 54.3515 19.0127 179.3372 22 F 4.1720 8.3276 119.6040 61.4642 39.4111 177.5916 23 S 4.3588 8.4320 113.3389 61.1676 62.9628 176.3482 24 A 4.0333 8.0262 124.4907 54.9561 18.0256 179.8690 25 G 3.5131 8.3430 104.4153 47.5516 0.0000 176.2607 26 V 3.4789 7.6314 120.3278 66.3159 31.7710 177.5329 27 H 4.0030 8.5505 116.2797 59.2757 28.3553 177.6397 28 R 3.8705 7.9583 119.1530 59.2849 30.0243 177.8446 29 L 4.0230 7.9493 119.2103 57.1105 43.0676 176.8987 30 A 4.6407 7.8284 119.9450 50.4253 19.0866 175.4750 31 N 4.8323 7.6476 121.7797 54.3828 39.0070 175.6564 32 G 3.8384 8.4583 110.2141 43.5782 0.0000 173.8486 33 G 3.6348 9.4410 105.2706 44.8819 0.0000 173.6789 34 N 4.1658 8.1669 115.2833 53.2894 37.3934 172.5922 35 G 4.1614 7.1476 106.7955 45.7339 0.0000 172.3063 36 F 4.8879 8.8202 125.7266 57.0968 40.4661 175.6647 37 W 4.2389 8.2933 121.4647 56.8040 27.2510 173.8411 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 K 8.31 4.04 0.00 1.64 1.48 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.36 7.81 2 Y 7.63 3.96 0.00 2.81 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 3 Y 6.20 4.69 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.44 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.88 4.21 0.00 2.66 2.81 0.00 0.00 6.92 7.67 0.00 0.00 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 G 8.78 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.00 4.45 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 0.71 0.00 0.00 0.73 0.00 0.00 8 H 8.72 4.62 0.00 3.13 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.73 4.84 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.48 4.25 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 1.19 0.00 0.00 11 K 8.15 4.38 0.00 1.81 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.28 7.81 12 S 8.76 3.67 0.00 4.17 4.05 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 0.00 0.00 0.00 0.00 13 G 7.78 4.35 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 0.00 14 C 8.22 4.63 0.00 2.96 3.03 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 15 S 8.02 4.46 0.00 3.77 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 16 V 7.74 3.42 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.64 0.00 0.00 17 N 8.51 4.62 0.00 2.83 2.80 0.00 0.00 6.58 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.57 4.46 0.00 3.42 3.24 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 19 G 8.07 3.63 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 0.00 0.00 0.00 20 E 8.29 4.10 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 21 A 7.86 4.21 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 22 F 8.33 4.17 0.00 3.32 3.24 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 23 S 8.43 4.36 0.00 4.09 4.25 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 24 A 8.03 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.48 2.24 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 1.02 0.00 0.00 0.72 0.00 0.00 27 H 8.55 4.00 0.00 3.50 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.96 3.87 0.00 2.07 1.93 0.00 3.26 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 29 L 7.95 4.02 0.00 1.59 1.90 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.83 4.64 1.19 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 0.00 0.00 31 N 7.65 4.83 0.00 2.79 3.06 0.00 0.00 6.11 6.96 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 32 G 8.46 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.44 3.63 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 0.00 0.00 0.00 34 N 8.17 4.17 0.00 2.79 2.81 0.00 0.00 6.91 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.15 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.89 0.00 2.96 3.04 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 0.00 0.00 0.00 37 W 8.29 4.24 0.00 3.59 2.99 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