NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.0942 8.4449 120.3642 56.1668 31.0064 171.8863 3 Y 4.7024 7.1592 117.5529 55.8044 39.5341 172.4902 4 E 4.2561 9.3606 122.3714 56.4464 31.1645 176.0338 5 E 4.6407 8.6252 120.6568 54.8100 33.5461 174.9674 6 G 3.8461 8.7357 105.6741 43.6722 0.0000 171.2915 7 P 4.2662 0.0000 0.0000 64.1523 31.4342 177.4813 8 G 3.8567 8.8621 109.8940 45.7256 0.0000 173.7746 9 K 4.4341 8.0555 117.3144 55.8885 33.8799 176.1237 10 N 4.9159 7.8667 116.1308 52.3105 37.9741 174.6143 11 I 4.5128 7.0788 110.2189 59.4477 40.6069 173.1306 12 P 4.3961 0.0000 0.0000 63.5137 31.7518 175.8207 13 F 4.9556 7.0343 113.3735 54.9119 40.6071 174.3345 14 S 4.5286 8.4893 116.1365 57.6224 63.2106 174.1888 15 V 4.4959 7.9546 119.0344 61.1354 32.3836 176.6665 16 E 3.9679 8.1724 123.6296 58.1767 29.7307 176.9999 17 N 4.9066 7.8574 117.3013 51.0284 41.5258 174.8847 18 K 3.7164 8.3999 128.1196 59.4490 32.5374 178.9741 19 W 4.4669 7.7549 119.8881 59.4086 29.3208 178.3647 20 R 4.0065 8.7642 119.1033 59.1815 29.4121 178.2948 21 L 3.9703 8.2178 120.5573 58.0466 42.1099 178.6696 22 L 3.9627 7.8926 120.0438 58.0858 42.0353 178.8520 23 A 4.0617 8.1493 120.6985 55.3878 18.2979 179.4816 24 M 4.0057 8.1638 117.1323 59.0222 32.0239 179.0098 25 M 4.1309 8.3538 118.9970 58.5863 31.9982 179.0992 26 T 3.9869 8.1526 115.9849 66.6357 68.6021 176.8156 27 L 4.0003 8.0641 120.8814 57.9991 41.4792 178.8705 28 F 4.0617 8.5838 120.9785 61.6894 39.2259 177.2069 29 F 4.2764 8.7479 117.5451 60.2761 38.7697 178.2258 30 G 3.7121 8.5831 106.1255 47.7529 0.0000 175.9629 31 S 4.2324 8.4424 117.2005 61.0082 62.7040 176.8920 32 G 3.4929 7.4928 108.3856 47.6509 0.0000 175.2349 33 F 4.4344 8.1737 122.1240 60.8001 39.8268 176.7562 34 A 4.4681 8.7191 120.5362 54.6052 18.2128 179.0907 35 A 4.0292 8.0464 119.8018 55.3729 18.3149 178.0794 36 P 4.1009 0.0000 0.0000 65.6901 31.3359 178.8257 37 F 3.9522 7.8940 116.0372 60.6397 38.9239 177.5573 38 F 3.9597 8.5096 116.7560 60.0232 38.5947 177.9713 39 I 3.8681 7.8357 120.0582 64.0807 36.9512 178.3908 40 V 3.5208 7.9713 119.3953 65.9880 31.3410 178.0453 41 R 3.8368 8.0702 118.4635 59.5896 28.3123 177.9166 42 H 4.1694 8.2909 118.0085 59.5533 28.4068 177.3532 43 Q 4.2169 8.4273 120.0559 58.8263 28.2453 178.7177 44 L 4.3477 7.8185 119.4678 57.1594 41.7168 178.3483 45 L 4.4308 7.6074 116.5415 54.7860 41.6687 177.3331 46 K 4.2337 7.0193 118.4775 57.0185 33.2415 176.5722 47 K 3.9478 7.2131 122.9024 57.2662 33.5503 173.7921 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 2 H 8.44 4.09 0.00 2.98 3.21 0.00 5.68 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 3 Y 7.16 4.70 0.00 3.01 2.68 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 0.00 0.00 0.00 0.00 4 E 9.36 4.26 0.00 1.96 1.87 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 2.33 2.27 0.00 5 E 8.63 4.64 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 6 G 8.74 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 0.00 0.00 0.00 7 P 0.00 4.27 0.00 2.02 2.00 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 8 G 8.86 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 0.00 0.00 0.00 9 K 8.06 4.43 0.00 1.83 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 10 N 7.87 4.92 0.00 2.77 2.85 0.00 0.00 5.83 7.81 0.00 0.00 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 I 7.08 4.51 0.80 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.27 0.67 0.00 0.00 12 P 0.00 4.40 0.00 2.20 2.16 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 13 F 7.03 4.96 0.00 3.02 2.86 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 14 S 8.49 4.53 0.00 3.83 3.80 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 15 V 7.95 4.50 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 0.86 0.00 0.00 0.86 0.00 0.00 16 E 8.17 3.97 0.00 1.93 1.97 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 2.31 2.29 0.00 17 N 7.86 4.91 0.00 2.77 2.65 0.00 0.00 6.96 7.23 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 18 K 8.40 3.72 0.00 1.50 1.72 0.00 0.87 0.00 0.00 1.08 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.74 0.21 7.81 19 W 7.75 4.47 0.00 3.61 3.28 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 20 R 8.76 4.01 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.22 3.97 0.00 1.86 1.71 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.89 3.96 0.00 2.03 2.05 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.15 4.06 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 24 M 8.16 4.01 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.88 0.00 25 M 8.35 4.13 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 26 T 8.15 3.99 4.58 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 1.26 0.00 0.00 27 L 8.06 4.00 0.00 1.90 1.74 0.94 0.76 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 28 F 8.58 4.06 0.00 2.89 2.74 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 29 F 8.75 4.28 0.00 3.36 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.23 0.00 4.00 4.15 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 0.00 0.00 0.00 0.00 32 G 7.49 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.43 0.00 3.09 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 34 A 8.72 4.47 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.03 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.10 0.00 1.59 1.83 0.00 3.71 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 1.90 2.06 0.00 37 F 7.89 3.95 0.00 3.28 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 38 F 8.51 3.96 0.00 3.25 3.19 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 39 I 7.84 3.87 1.99 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 1.42 0.91 0.91 0.00 0.00 40 V 7.97 3.52 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 8.07 3.84 0.00 1.74 1.97 0.00 2.94 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 42 H 8.29 4.17 0.00 3.40 3.54 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.43 4.22 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 44 L 7.82 4.35 0.00 1.76 1.70 0.89 0.87 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 45 L 7.61 4.43 0.00 1.62 1.68 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.02 4.23 0.00 1.65 1.80 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.31 7.81 47 K 7.21 3.95 0.00 1.76 1.61 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.16 7.81