NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2836 8.1233 123.5863 51.6029 18.9929 176.4516 3 E 3.7236 8.1449 120.6226 60.1170 29.1951 177.9953 4 A 4.1118 8.0311 121.4244 55.0777 19.4209 179.0864 5 L 3.8488 7.8916 118.6923 58.3308 42.1727 178.8438 6 F 3.8813 8.0609 120.5914 61.1417 39.0645 177.3168 7 K 4.1203 7.7173 116.4468 59.2519 31.8924 178.6653 8 E 4.0617 8.0228 119.1336 59.2090 29.6193 178.6736 9 I 3.6981 7.1357 119.0001 63.4317 38.8552 177.6161 10 D 4.6411 7.7622 120.5575 53.6887 36.9812 176.4576 11 V 3.5715 7.6079 122.4035 65.1293 32.2004 176.1571 12 N 4.6165 8.0414 113.9584 51.8690 37.4834 175.1627 13 G 3.9658 7.8808 106.0260 46.9752 0.0000 173.9901 14 D 4.6134 8.2411 116.6344 52.8263 39.4249 177.5766 15 G 4.0629 8.7629 108.5688 45.4365 0.0000 173.6227 16 A 4.8313 8.6171 122.4533 50.1419 21.3503 175.8258 17 V 3.9974 8.3566 122.4177 61.5964 32.0833 176.5891 18 S 4.6108 8.6853 123.3052 57.2856 65.6382 174.5981 19 Y 4.0854 8.4171 122.1683 60.8894 38.6290 177.7682 20 E 3.7719 8.2352 117.6483 59.0544 29.5694 178.5482 21 E 4.0228 7.6790 119.2844 58.8269 29.5543 179.0465 22 V 3.5600 7.6500 118.5489 65.6747 31.5984 178.0059 23 K 3.7242 7.8492 119.2747 59.4757 31.9229 178.7234 24 A 3.9901 7.8937 121.0021 54.7879 18.1872 179.5314 25 F 3.9844 8.1762 119.4225 61.4313 39.5567 177.6000 26 V 3.4126 8.0564 118.1763 65.8723 31.2819 177.8430 27 S 3.9694 7.8778 112.7430 61.3459 62.2744 176.0327 28 K 3.8202 8.1209 122.5539 59.3215 31.8621 178.6022 29 K 3.6632 8.0088 120.3345 59.1501 32.0357 178.7426 30 R 3.7353 7.8577 118.7399 59.3438 30.0171 178.1288 31 A 3.9553 7.7920 120.4659 55.3983 18.2908 179.6219 32 I 3.5861 7.5978 118.0852 64.4897 37.0966 178.6622 33 K 3.9157 8.0094 120.3966 59.4376 31.9716 178.7046 34 N 4.3448 8.2392 116.9364 56.1162 38.4902 177.1176 35 E 3.9089 8.2765 120.0125 59.7603 29.6545 179.3452 36 Q 4.0951 8.2288 117.9794 58.9945 28.6559 179.1756 37 L 3.9407 7.7713 120.9509 57.9153 42.1627 178.6382 38 L 3.9461 7.9161 120.2803 58.3463 42.0687 178.8940 39 Q 4.0336 8.5620 118.2464 58.9354 28.7480 178.6678 40 L 3.9857 7.9780 121.2157 58.3023 42.0073 179.0879 41 I 3.7135 8.0392 119.9156 64.2043 36.9319 178.1112 42 F 3.9635 8.5870 121.8477 61.4034 39.1196 177.2734 43 K 3.8618 8.5990 117.3963 59.5004 31.8811 179.0376 44 S 4.2753 7.6810 113.2169 61.0398 63.2000 176.2962 45 I 3.7569 6.9270 122.9988 63.3853 38.3612 177.3035 46 D 4.4400 7.7323 119.8993 52.7410 36.7955 175.9739 47 A 3.9233 7.7129 126.8226 55.5158 18.8493 178.7563 48 D 4.5558 8.2244 111.0990 52.9406 39.4946 176.2694 49 G 4.0627 8.0082 107.8172 46.8347 0.0000 173.8881 50 N 4.5863 8.8421 114.8969 52.3366 37.7310 175.8515 51 G 4.1872 9.6510 108.2510 45.3948 0.0000 173.2437 52 E 4.9551 8.4205 116.2988 54.2686 32.7109 174.6952 53 I 5.0829 8.5749 113.5161 58.5417 39.2996 175.8555 54 D 4.7342 8.6376 125.3277 52.2495 42.2237 177.0843 55 Q 3.9867 8.5963 118.3647 58.9490 28.4810 179.1107 56 N 4.3505 8.2361 117.7276 56.8231 39.1202 176.5308 57 E 3.9997 8.9861 120.4273 59.5230 29.5606 179.2648 58 F 4.1640 8.7212 120.6820 61.1851 39.2287 177.1233 59 A 4.2173 8.1838 119.6034 55.0361 18.2907 179.2993 60 K 4.0010 7.9150 115.9596 59.7129 31.9735 178.5650 61 F 4.1626 7.8852 120.7152 60.8899 39.1350 175.3322 62 Y 3.7892 7.0830 113.4787 56.8950 38.1020 177.6504 63 G 4.2267 7.7734 110.1159 46.1413 0.0000 176.7441 64 S 4.1552 8.2067 121.1036 59.6711 63.1155 174.0206 65 I 3.5358 6.8034 124.5944 62.3040 37.3737 172.8962 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 A 8.12 4.28 1.31 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 0.00 0.00 3 E 8.14 3.72 0.00 2.11 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 2.39 2.44 0.00 4 A 8.03 4.11 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 5 L 7.89 3.85 0.00 1.78 1.69 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.06 3.88 0.00 3.19 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 7 K 7.72 4.12 0.00 2.03 1.89 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.55 7.81 8 E 8.02 4.06 0.00 2.05 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 2.44 2.42 0.00 9 I 7.14 3.70 1.30 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.57 0.00 0.00 10 D 7.76 4.64 0.00 2.23 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 11 V 7.61 3.57 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 0.86 0.00 0.00 1.01 0.00 0.00 12 N 8.04 4.62 0.00 2.88 2.89 0.00 0.00 6.97 6.88 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 13 G 7.88 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 D 8.24 4.61 0.00 2.80 2.79 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 15 G 8.76 4.06 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 0.00 0.00 0.00 16 A 8.62 4.83 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 17 V 8.36 4.00 1.92 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 0.69 0.00 0.00 0.00 0.00 0.00 18 S 8.69 4.61 0.00 4.24 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 19 Y 8.42 4.09 0.00 3.11 3.07 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 0.00 0.00 0.00 20 E 8.24 3.77 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 21 E 7.68 4.02 0.00 2.21 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 2.27 2.26 0.00 22 V 7.65 3.56 2.10 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 1.08 0.00 0.00 0.89 0.00 0.00 23 K 7.85 3.72 0.00 1.35 1.68 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.32 7.81 24 A 7.89 3.99 1.35 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 25 F 8.18 3.98 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.41 2.14 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 0.90 0.00 0.00 0.99 0.00 0.00 27 S 7.88 3.97 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.82 0.00 1.83 1.79 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.38 7.81 29 K 8.01 3.66 0.00 1.12 1.62 0.00 1.62 0.00 0.00 1.28 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.26 7.81 30 R 7.86 3.74 0.00 2.03 2.00 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 31 A 7.79 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 3.59 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.87 0.00 0.00 33 K 8.01 3.92 0.00 2.03 1.77 0.00 1.48 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.50 7.81 34 N 8.24 4.34 0.00 2.96 2.83 0.00 0.00 6.97 6.99 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 35 E 8.28 3.91 0.00 2.16 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 2.44 2.47 0.00 36 Q 8.23 4.10 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 37 L 7.77 3.94 0.00 1.81 1.79 0.93 0.98 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 38 L 7.92 3.95 0.00 2.01 1.64 0.91 0.73 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 39 Q 8.56 4.03 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 40 L 7.98 3.99 0.00 1.87 1.84 0.93 0.92 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 41 I 8.04 3.71 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.85 0.00 0.00 42 F 8.59 3.96 0.00 3.17 3.25 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 43 K 8.60 3.86 0.00 1.88 1.90 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.74 7.81 44 S 7.68 4.28 0.00 4.03 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 45 I 6.93 3.76 1.50 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.27 0.60 0.00 0.00 46 D 7.73 4.44 0.00 2.07 2.30 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 47 A 7.71 3.92 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 48 D 8.22 4.56 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 4.06 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 0.00 0.00 0.00 50 N 8.84 4.59 0.00 2.84 3.04 0.00 0.00 7.02 7.42 0.00 0.00 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 G 9.65 4.19 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 0.00 52 E 8.42 4.96 0.00 2.10 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 2.48 2.25 0.00 53 I 8.57 5.08 1.69 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.07 0.47 0.00 0.00 54 D 8.64 4.73 0.00 2.98 2.85 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 Q 8.60 3.99 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 56 N 8.24 4.35 0.00 2.76 2.96 0.00 0.00 7.24 7.65 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 57 E 8.99 4.00 0.00 2.14 2.19 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 2.32 2.47 0.00 58 F 8.72 4.16 0.00 3.24 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 59 A 8.18 4.22 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 60 K 7.91 4.00 0.00 1.97 1.93 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.61 7.81 61 F 7.89 4.16 0.00 2.87 3.07 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 0.00 0.00 0.00 62 Y 7.08 3.79 0.00 2.89 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 63 G 7.77 4.23 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 0.00 0.00 0.00 64 S 8.21 4.16 0.00 3.81 3.88 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 65 I 6.80 3.54 1.58 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.62 0.19 0.00 0.00