NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4934 8.3649 120.5227 54.2939 42.2647 175.0708 3 C 4.8480 8.0341 117.9499 55.0572 39.3655 171.5733 4 Y 4.8578 9.6073 120.0378 56.5346 42.9154 173.1970 5 C 5.5324 8.8850 118.6209 55.9359 41.6823 173.5709 6 R 5.3364 9.4610 122.2189 54.6714 34.4027 174.4174 7 I 4.9078 8.3749 121.4054 59.1950 40.3606 173.8102 8 P 4.3167 0.0000 0.0000 63.8378 31.9836 174.9555 9 A 4.4634 7.2058 119.8957 51.4478 21.8135 176.1810 10 C 4.5107 8.5916 117.1381 57.0749 35.8247 173.8905 11 I 4.2019 8.1459 115.9717 58.5644 39.4922 174.6673 12 A 3.9185 8.2792 123.0527 54.2150 18.2223 177.9244 13 G 3.9722 9.2011 110.3629 45.3117 0.0000 172.6611 14 E 4.9822 7.8395 120.0208 54.9107 33.1402 175.9149 15 R 4.6828 8.7620 120.2617 54.8794 34.0375 175.4466 16 R 4.5094 8.3031 121.4650 56.4099 30.4873 175.6015 17 Y 4.5606 9.4276 123.5812 57.6629 39.9219 176.1727 18 G 4.2960 7.3415 104.4345 46.8894 0.0000 172.1327 19 T 5.4897 8.8816 116.4640 62.1124 72.4634 174.2725 20 C 5.1843 9.5192 121.6274 55.2652 44.1704 172.8756 21 I 5.1788 8.0000 121.6077 60.0119 39.3063 174.7281 22 Y 4.6835 9.5953 125.1405 58.1695 42.2369 174.0140 23 Q 3.0485 9.4861 125.4306 57.1325 26.3415 174.2088 24 G 3.9856 8.5213 100.8633 46.3237 0.0000 173.7698 25 R 4.7448 8.0333 117.4305 53.9290 34.0346 173.9415 26 L 5.3083 8.2182 118.9103 53.6838 43.0946 176.3939 27 W 5.0376 9.3341 121.9735 54.6261 33.6454 174.4566 28 A 4.6693 9.1381 124.7990 51.7852 19.5034 176.2712 29 F 5.2637 9.4909 125.1443 57.3182 41.0413 173.9317 30 C 5.3735 9.2874 123.7078 55.3522 41.6534 173.6721 31 C 4.5792 9.1830 119.1015 57.2715 42.1782 173.9529 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 D 8.36 4.49 0.00 2.55 2.23 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 0.00 0.00 0.00 0.00 3 C 8.03 4.85 0.00 2.78 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 9.61 4.86 0.00 2.87 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 5 C 8.89 5.53 0.00 2.61 2.91 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 6 R 9.46 5.34 0.00 1.85 1.97 0.00 3.20 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 7 I 8.37 4.91 1.30 0.00 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.06 0.66 0.00 0.00 8 P 0.00 4.32 0.00 2.13 2.10 0.00 3.79 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 1.94 1.92 0.00 9 A 7.21 4.46 1.22 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 0.00 0.00 10 C 8.59 4.51 0.00 2.96 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 11 I 8.15 4.20 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.88 0.00 0.00 12 A 8.28 3.92 1.26 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 13 G 9.20 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 0.00 0.00 0.00 14 E 7.84 4.98 0.00 2.00 1.84 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 2.28 2.22 0.00 15 R 8.76 4.68 0.00 1.40 1.72 0.00 3.26 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 16 R 8.30 4.51 0.00 1.78 1.76 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 17 Y 9.43 4.56 0.00 2.86 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 18 G 7.34 4.30 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 0.00 19 T 8.88 5.49 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 C 9.52 5.18 0.00 2.89 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 21 I 8.00 5.18 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 1.00 0.00 0.00 22 Y 9.60 4.68 0.00 2.72 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.49 3.05 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 24 G 8.52 3.99 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 0.00 0.00 0.00 25 R 8.03 4.74 0.00 1.70 1.62 0.00 3.06 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 26 L 8.22 5.31 0.00 1.52 1.65 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 W 9.33 5.04 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.14 4.67 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 29 F 9.49 5.26 0.00 3.16 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.29 5.37 0.00 2.98 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 31 C 9.18 4.58 0.00 2.95 2.81 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 0.00 0.00 0.00 0.00