NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3912 8.3049 120.3481 55.0847 34.4439 175.3544 2 K 4.6662 7.8785 117.3945 53.9232 32.6527 173.1671 3 V 3.1601 7.8675 119.2663 63.5198 32.5384 170.6800 4 R 4.4477 8.3968 113.6367 57.7144 34.0359 175.6810 5 A 3.9312 8.1250 118.8305 52.3719 17.6126 177.8091 6 S 4.4863 8.1297 104.3946 56.8140 66.4475 176.4038 7 V 4.5130 8.1026 121.8120 60.5514 32.8346 176.3016 8 K 3.9526 8.7994 120.8892 56.8888 29.7900 176.9754 9 K 4.4548 8.8245 118.9372 57.2521 38.2965 176.1986 10 L 3.3899 8.8537 117.1593 56.8967 41.3714 169.3712 11 C 3.8312 8.6433 123.3044 60.1052 27.3459 173.9228 12 R 3.9609 8.9246 124.2708 58.8722 29.7327 178.0415 13 N 4.9078 7.7738 112.9578 52.5386 37.9195 174.6899 14 C 4.5209 7.5156 120.1378 59.5739 33.0056 172.8257 15 K 4.1731 8.3066 118.3220 56.4026 32.1560 177.8345 16 I 3.8719 8.2638 120.1631 61.4617 37.7762 178.5681 17 V 3.6727 7.7179 117.4290 62.7213 32.0100 172.3444 18 K 4.3470 7.8466 121.8162 55.8339 33.5032 175.9283 19 R 4.8358 7.4526 123.6489 56.6864 30.9176 176.3933 20 D 4.7282 8.3164 123.5108 54.7960 40.6217 176.5108 21 G 3.6330 7.8947 107.6528 45.8616 0.0000 172.2464 22 V 4.2305 7.8513 119.2208 61.2083 33.5295 175.2618 23 I 3.7012 8.3680 123.0769 59.3006 37.0118 177.3150 24 R 3.3658 8.7912 120.6590 56.1398 27.8011 176.5207 25 V 4.3238 8.0189 121.8703 61.6825 31.4186 173.5953 26 I 3.7923 7.3151 125.7848 58.0823 44.4350 172.5829 27 C 4.1360 8.5985 125.2962 58.7544 30.3709 172.9426 28 S 4.0710 8.1441 119.2850 58.3435 62.8724 172.8653 29 A 3.7232 8.4750 121.4828 53.5283 15.4744 179.1877 30 E 4.5931 7.4161 119.9466 54.5151 30.8702 176.0726 31 P 4.0641 0.0000 0.0000 64.2872 32.3846 176.5593 32 K 4.3592 7.7224 116.6709 57.9713 33.7212 176.3700 33 H 4.4532 8.0601 115.1454 55.9709 29.1167 175.9717 34 K 4.4900 8.0019 117.8604 56.9284 34.0471 174.6683 35 Q 4.5055 8.1036 126.3985 54.8781 28.8750 176.7812 36 R 4.5912 7.4887 123.9754 56.1167 29.9442 177.8029 37 Q 4.5869 8.6626 117.4477 54.3055 30.1539 176.0840 38 G 3.7380 8.3358 105.8404 46.6222 0.0000 172.5627 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 M 8.30 4.39 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 K 7.88 4.67 0.00 1.84 1.85 0.00 1.89 0.00 0.00 2.33 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.62 7.81 3 V 7.87 3.16 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 4 R 8.40 4.45 0.00 1.74 1.83 0.00 3.28 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 5 A 8.13 3.93 1.20 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 0.00 0.00 6 S 8.13 4.49 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.51 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 8 K 8.80 3.95 0.00 1.92 1.74 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.41 7.81 9 K 8.82 4.45 0.00 1.84 1.97 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 10 L 8.85 3.39 0.00 1.71 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.64 3.83 0.00 3.15 2.96 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 0.00 0.00 0.00 0.00 12 R 8.92 3.96 0.00 1.80 2.01 0.00 3.34 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 13 N 7.77 4.91 0.00 2.79 2.88 0.00 0.00 5.96 7.68 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 14 C 7.52 4.52 0.00 3.31 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 15 K 8.31 4.17 0.00 1.91 1.72 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.43 7.81 16 I 8.26 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.95 0.00 0.00 17 V 7.72 3.67 2.08 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 0.86 0.00 0.00 0.99 0.00 0.00 18 K 7.85 4.35 0.00 1.73 1.75 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.55 7.81 19 R 7.45 4.84 0.00 1.94 1.46 0.00 3.24 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 20 D 8.32 4.73 0.00 2.63 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 21 G 7.89 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 22 V 7.85 4.23 2.08 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 1.01 0.00 0.00 0.93 0.00 0.00 23 I 8.37 3.70 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.96 0.00 0.00 24 R 8.79 3.37 0.00 1.97 2.00 0.00 3.26 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 25 V 8.02 4.32 2.03 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 0.81 0.00 0.00 0.95 0.00 0.00 26 I 7.32 3.79 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 1.01 0.00 0.00 27 C 8.60 4.14 0.00 3.06 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 28 S 8.14 4.07 0.00 3.87 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 29 A 8.48 3.72 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 30 E 7.42 4.59 0.00 2.22 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 2.34 2.34 0.00 31 P 0.00 4.06 0.00 2.03 2.05 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 K 7.72 4.36 0.00 1.69 1.73 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.51 7.81 33 H 8.06 4.45 0.00 3.17 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.00 4.49 0.00 1.79 1.77 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.32 7.81 35 Q 8.10 4.51 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 36 R 7.49 4.59 0.00 1.99 1.61 0.00 3.00 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 37 Q 8.66 4.59 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.21 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 38 G 8.34 3.74 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 0.00 0.00 0.00