NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3970 8.1733 120.1427 56.8266 34.7090 174.0706 2 E 4.6240 8.7163 118.8667 56.0808 30.8974 176.2289 3 G 3.7883 9.1165 111.4845 45.2918 0.0000 170.5919 4 Y 4.3725 8.0322 123.8694 57.0215 37.3481 175.0078 5 L 3.9730 8.3019 123.4370 55.2292 43.1825 177.0860 6 V 4.7781 8.2450 121.1700 60.6183 34.1405 175.6924 7 K 3.5918 8.3209 122.5627 54.3057 30.4188 176.7957 8 K 3.8532 8.1608 126.2031 59.0802 31.7641 177.2500 9 S 3.8041 7.1180 109.7303 59.7509 63.4524 174.2552 10 D 5.8500 6.5712 135.0000 53.5994 43.2792 176.6089 11 G 3.9376 8.0172 107.7278 46.5780 0.0000 174.4757 12 C 5.0620 8.8509 124.9556 55.1665 45.1205 173.4919 13 K 3.8794 8.5028 118.3523 58.0840 32.8357 175.5725 14 Y 4.6707 8.7157 123.3066 57.4414 39.6886 174.5697 15 D 5.8500 9.2960 126.5885 53.0142 43.1231 173.8697 16 C 4.7457 8.4964 115.6833 56.0519 44.3608 171.5597 17 F 5.2619 9.4055 117.8426 59.1945 40.6198 176.2441 18 W 4.0909 8.9851 126.1947 57.2179 31.9394 175.1060 19 L 3.9642 6.8515 125.1991 55.1485 42.2978 176.3166 20 G 3.7635 8.4873 105.4018 43.6015 0.0000 173.0465 21 K 3.9534 8.6037 119.6486 57.4810 32.7852 176.5140 22 N 4.7515 8.5787 120.6383 52.3733 39.4962 173.3713 23 E 4.2522 7.9511 119.9100 58.5725 30.5827 177.7645 24 H 4.4875 8.0836 116.8869 58.3160 29.5033 178.0300 25 C 4.4150 8.1783 119.8901 58.9748 43.0362 174.8167 26 N 4.4039 7.8283 117.9994 56.9362 38.2951 176.9869 27 T 4.0433 7.8382 116.5194 66.0859 68.4835 176.1636 28 E 4.1445 8.1085 120.2626 58.2463 29.7016 177.0167 29 C 4.5868 7.5483 116.0593 58.4619 44.4692 174.5257 30 K 4.2560 7.8789 117.5906 55.8079 32.2470 176.5915 31 A 4.1484 7.0411 120.7651 52.9723 18.7756 178.8283 32 K 4.2148 8.5192 118.5834 58.5008 33.0537 177.2892 33 N 4.8509 8.0152 116.6634 52.9876 37.6390 174.9125 34 Q 4.2457 7.9310 116.7568 57.7313 31.4387 176.5464 35 G 3.7197 8.4271 102.2223 46.6436 0.0000 173.3138 36 G 4.2879 7.8483 105.6021 43.5870 0.0000 172.8304 37 S 4.7123 8.4829 115.9150 57.3390 63.2574 173.1773 38 Y 4.5582 6.8458 116.0532 57.2568 41.5005 173.5515 39 G 4.9017 8.0860 120.5611 45.8461 0.0000 171.5714 40 Y 4.7075 6.8554 122.9734 56.0384 40.4959 172.0143 41 C 5.6602 9.1029 119.4054 55.7313 44.0717 174.7608 42 Y 4.4163 9.1827 129.8342 56.2122 36.9949 174.4168 43 A 3.4730 9.5671 130.7954 50.6361 17.2544 180.2815 44 F 5.0287 7.2894 108.8124 57.8386 42.9180 172.5568 45 A 4.8935 7.8268 122.0371 50.2767 21.5309 176.3634 46 C 5.2413 8.8554 121.0563 56.9862 35.2371 172.5926 47 W 4.4673 9.3670 134.1926 57.0811 32.0925 173.9524 48 C 5.1575 8.4903 122.3227 55.1087 43.8990 172.4256 49 E 5.2206 8.9073 123.6017 54.6573 30.8331 174.8394 50 G 3.6398 8.8893 115.6392 45.2888 0.0000 173.6859 51 L 3.8718 7.9920 120.5034 54.5001 41.4692 175.3790 52 P 4.4868 0.0000 0.0000 62.5655 31.7279 176.6535 53 E 4.1863 8.5619 116.9592 58.4630 29.6035 177.6356 54 S 4.4354 7.9714 111.7869 58.1986 62.4806 173.5260 55 T 4.3944 7.2212 115.6092 61.2491 67.9914 172.7523 56 P 4.3413 0.0000 0.0000 63.3856 31.7828 175.7900 57 T 4.3697 8.2989 115.7909 62.7664 72.2905 172.0178 58 Y 4.0821 8.6065 122.7765 57.0501 39.4416 175.8541 59 P 3.3673 0.0000 0.0000 61.8603 32.3988 175.0341 60 L 4.8338 7.8370 116.2274 52.5708 44.7190 175.5892 61 P 4.4353 0.0000 0.0000 64.5963 30.8064 175.6615 62 N 4.8164 6.9576 112.8146 54.0935 41.6758 174.4541 63 K 4.0667 7.9424 120.3573 57.2150 33.0199 177.4464 64 S 4.6999 8.2706 117.1585 57.4272 63.6470 174.5689 65 C 4.2289 8.6063 126.1422 58.4361 44.2227 173.0947 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 8.17 4.40 0.00 1.87 2.08 0.00 1.46 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.49 7.81 2 E 8.72 4.62 0.00 1.94 2.18 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 2.43 2.65 0.00 3 G 9.12 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 4.37 0.00 2.65 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 5 L 8.30 3.97 0.00 1.92 1.91 1.02 0.77 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 6 V 8.25 4.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.19 0.00 0.00 7 K 8.32 3.59 0.00 1.91 1.57 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 0.91 7.81 8 K 8.16 3.85 0.00 1.65 1.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.50 7.81 9 S 7.12 3.80 0.00 3.96 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 10 D 6.57 5.85 0.00 2.92 2.80 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 0.00 0.00 0.00 0.00 11 G 8.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.85 5.06 0.00 2.80 2.90 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 13 K 8.50 3.88 0.00 1.28 1.24 0.00 1.43 0.00 0.00 1.38 0.00 0.00 2.62 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.20 7.81 14 Y 8.72 4.67 0.00 3.10 2.84 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 15 D 9.30 5.85 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.75 0.00 3.17 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 17 F 9.41 5.26 0.00 2.96 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 18 W 8.99 4.09 0.00 3.05 2.93 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 19 L 6.85 3.96 0.00 0.96 1.17 0.43 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.49 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 21 K 8.60 3.95 0.00 1.92 1.90 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 22 N 8.58 4.75 0.00 2.80 2.88 0.00 0.00 7.35 7.74 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 23 E 7.95 4.25 0.00 2.06 1.89 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 2.43 2.34 0.00 24 H 8.08 4.49 0.00 3.29 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.18 4.41 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 26 N 7.83 4.40 0.00 2.99 3.00 0.00 0.00 7.09 7.10 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 27 T 7.84 4.04 4.22 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 1.20 0.00 0.00 28 E 8.11 4.14 0.00 2.29 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 0.00 2.38 2.38 0.00 29 C 7.55 4.59 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.26 0.00 1.80 1.79 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.42 7.81 31 A 7.04 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 4.21 0.00 1.88 1.95 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.37 7.81 33 N 8.02 4.85 0.00 2.84 2.95 0.00 0.00 5.87 7.40 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 34 Q 7.93 4.25 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.38 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 35 G 8.43 3.72 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 0.00 0.00 0.00 36 G 7.85 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 4.71 0.00 3.86 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 38 Y 6.85 4.56 0.00 3.08 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 39 G 8.09 4.90 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 0.00 0.00 0.00 40 Y 6.86 4.71 0.00 3.12 3.18 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 41 C 9.10 5.66 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 42 Y 9.18 4.42 0.00 3.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.57 3.47 0.83 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 0.00 0.00 0.00 0.00 0.00 44 F 7.29 5.03 0.00 2.99 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 45 A 7.83 4.89 1.25 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 0.00 0.00 46 C 8.86 5.24 0.00 2.86 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 47 W 9.37 4.47 0.00 3.48 2.25 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 48 C 8.49 5.16 0.00 3.05 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.91 5.22 0.00 2.02 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 2.40 2.40 0.00 50 G 8.89 3.64 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 0.00 0.00 0.00 51 L 7.99 3.87 0.00 1.65 1.68 0.94 1.05 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 52 P 0.00 4.49 0.00 2.18 2.03 0.00 3.60 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 53 E 8.56 4.19 0.00 1.94 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 0.00 2.30 2.35 0.00 54 S 7.97 4.44 0.00 3.82 3.85 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 55 T 7.22 4.39 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 1.22 0.00 0.00 56 P 0.00 4.34 0.00 2.18 2.05 0.00 3.81 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 1.99 1.99 0.00 57 T 8.30 4.37 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 1.28 0.00 0.00 58 Y 8.61 4.08 0.00 2.99 2.97 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 59 P 0.00 3.37 0.00 1.93 1.52 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 60 L 7.84 4.83 0.00 1.84 1.55 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.44 0.00 2.16 2.16 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 62 N 6.96 4.82 0.00 2.69 2.70 0.00 0.00 6.95 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.94 4.07 0.00 1.73 1.79 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 64 S 8.27 4.70 0.00 3.92 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 65 C 8.61 4.23 0.00 3.19 3.36 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