NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9530 8.1976 109.7344 44.7366 0.0000 174.1877 3 P 4.0315 0.0000 0.0000 63.0903 31.6868 175.1378 4 G 3.8893 6.0211 105.2796 44.5974 0.0000 173.0761 5 I 4.2749 7.3065 112.9353 60.0947 39.9296 174.9398 6 Q 4.8892 8.4195 122.3561 55.2392 30.4734 175.2315 7 V 4.9336 8.9720 118.5727 60.1276 36.4199 175.0606 8 K 5.0752 8.8483 125.9741 53.1981 34.5967 176.5554 9 A 4.3865 8.9035 127.6986 51.4557 18.7179 178.3344 10 L 3.9035 8.9861 123.3025 56.4753 42.3595 176.5561 11 Y 5.0178 7.5824 113.9546 56.0028 42.3136 174.7348 12 D 4.8670 8.9383 121.0122 54.9007 41.9208 175.4677 13 Y 4.5801 8.6075 123.1525 55.9241 42.3495 173.2776 14 D 4.8096 7.6288 125.8864 51.9468 42.5828 176.0782 15 A 4.1851 8.3536 126.0477 53.1107 18.2072 177.1703 16 Q 4.3434 9.7018 121.1540 56.1443 30.3367 175.2332 17 T 4.6865 7.6189 106.4734 58.9147 72.1370 172.8992 18 G 3.6952 8.4243 110.1728 47.3015 0.0000 173.2802 19 D 4.6158 8.9429 121.3113 54.7203 38.3272 173.2442 20 E 5.1311 7.6748 117.3538 55.7959 30.6214 176.3195 21 L 4.5931 8.9928 123.2251 54.8547 42.8878 176.4841 22 T 4.7811 8.5567 119.3007 62.5804 70.0812 173.8871 23 F 5.1031 8.6200 119.7491 56.0291 42.1182 172.8655 24 K 5.1859 9.5868 118.2235 53.9786 35.6554 175.8162 25 E 4.1521 9.4339 123.5143 58.5440 29.7678 177.5512 26 G 4.0588 9.0558 115.0425 45.1177 0.0000 173.5684 27 D 4.5514 8.3149 120.5231 54.8745 42.0721 175.5208 28 T 4.8844 8.4253 119.1879 62.4479 69.8924 174.1301 29 I 4.6438 8.7802 127.4863 59.4591 40.6893 174.6614 30 I 4.4354 8.3799 127.2844 60.4304 38.8452 174.9976 31 V 4.3858 8.7489 128.4255 61.9472 31.8503 176.0751 32 H 4.5545 8.9236 126.9550 58.6275 29.4105 176.4896 33 Q 4.3513 7.8096 115.3989 54.0677 33.1946 175.2090 34 K 3.3769 7.9698 123.8218 54.5812 29.8879 175.9180 35 D 4.8167 8.2002 121.8076 53.2650 42.0732 175.2717 36 P 4.3836 0.0000 0.0000 64.0699 31.9407 176.0699 37 A 3.9749 8.9422 121.9794 52.0755 16.4908 179.2534 38 G 3.7740 8.8320 105.7678 44.9554 0.0000 173.0752 39 W 5.0268 7.7600 118.7203 54.6139 31.8537 174.8994 40 W 5.6026 9.5621 124.8731 55.2042 31.9539 175.4292 41 E 4.3328 9.3344 122.8679 56.1325 29.8700 176.1555 42 G 4.6793 9.3317 112.0612 44.3122 0.0000 170.3465 43 E 5.2747 8.9756 119.5216 54.6558 33.5705 173.7864 44 L 4.7369 9.3424 127.7026 54.5848 46.2480 174.9633 45 N 4.3315 9.9337 123.2187 54.5610 36.1194 175.2435 46 G 3.9465 8.5700 103.3397 45.2733 0.0000 173.5128 47 K 4.5728 8.0380 120.9739 54.2855 34.5562 174.6615 48 R 4.9450 8.2105 124.6289 54.8869 32.1013 175.6467 49 G 3.9323 8.3899 109.0661 45.5794 0.0000 172.2090 50 W 5.4214 8.9633 120.3176 56.6232 30.6136 176.2132 51 V 5.0514 9.3865 123.5038 60.2700 34.5174 173.0208 52 P 3.1577 0.0000 0.0000 61.7860 31.5835 177.2239 53 A 2.7575 7.9492 127.4229 54.2624 18.1431 178.2656 54 N 4.6068 7.5307 110.5751 53.9670 37.9350 175.0658 55 Y 4.7185 8.0660 116.8820 58.4515 38.6985 175.1518 56 V 4.9570 7.2211 111.1898 59.4089 35.8576 174.7523 57 Q 4.6327 8.7795 123.5523 54.0402 32.0331 174.3936 58 D 4.8815 9.0134 126.5650 54.4491 41.6652 176.5118 59 I 4.1050 8.2158 115.9370 61.0251 37.6552 175.1643 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 G 8.20 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.03 0.00 2.33 2.21 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 4 G 6.02 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.31 4.27 1.83 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 1.10 0.95 0.84 0.00 0.00 6 Q 8.42 4.89 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 7 V 8.97 4.93 2.21 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 0.81 0.00 0.00 1.00 0.00 0.00 8 K 8.85 5.08 0.00 1.39 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.23 7.81 9 A 8.90 4.39 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 10 L 8.99 3.90 0.00 0.34 0.61 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.58 5.02 0.00 2.72 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 12 D 8.94 4.87 0.00 2.65 2.63 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 13 Y 8.61 4.58 0.00 2.59 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 14 D 7.63 4.81 0.00 2.27 2.36 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 15 A 8.35 4.19 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 16 Q 9.70 4.34 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 17 T 7.62 4.69 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 18 G 8.42 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 0.00 0.00 0.00 19 D 8.94 4.62 0.00 3.13 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 20 E 7.67 5.13 0.00 2.07 2.26 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 2.32 2.29 0.00 21 L 8.99 4.59 0.00 1.95 1.91 1.03 1.21 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 22 T 8.56 4.78 4.28 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 1.23 0.00 0.00 23 F 8.62 5.10 0.00 3.29 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 24 K 9.59 5.19 0.00 1.78 1.79 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 25 E 9.43 4.15 0.00 1.95 1.96 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 2.33 2.32 0.00 26 G 9.06 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 27 D 8.31 4.55 0.00 2.93 2.64 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 28 T 8.43 4.88 4.24 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 1.25 0.00 0.00 29 I 8.78 4.64 1.75 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 0.90 0.00 0.00 30 I 8.38 4.44 1.74 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 1.07 0.58 0.75 0.00 0.00 31 V 8.75 4.39 2.01 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 0.79 0.00 0.00 1.11 0.00 0.00 32 H 8.92 4.55 0.00 3.16 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.81 4.35 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 34 K 7.97 3.38 0.00 1.15 0.99 0.00 1.27 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.61 7.81 35 D 8.20 4.82 0.00 3.18 2.89 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 0.00 0.00 0.00 36 P 0.00 4.38 0.00 2.24 2.13 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 37 A 8.94 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.76 5.03 0.00 2.67 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.56 5.60 0.00 3.34 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.33 4.33 0.00 1.96 1.79 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 1.65 2.55 0.00 42 G 9.33 4.68 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 0.00 0.00 0.00 43 E 8.98 5.27 0.00 2.09 1.72 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 2.23 2.44 0.00 44 L 9.34 4.74 0.00 1.79 1.52 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.93 4.33 0.00 2.93 2.89 0.00 0.00 7.14 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 46 G 8.57 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.57 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 48 R 8.21 4.95 0.00 1.68 1.76 0.00 3.25 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 49 G 8.39 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 0.00 0.00 0.00 50 W 8.96 5.42 0.00 3.42 3.42 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 0.00 0.00 0.00 0.00 51 V 9.39 5.05 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 0.83 0.00 0.00 1.06 0.00 0.00 52 P 0.00 3.16 0.00 1.45 0.49 0.00 3.75 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 0.94 0.44 0.00 53 A 7.95 2.76 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.53 4.61 0.00 2.78 2.79 0.00 0.00 5.98 7.55 0.00 0.00 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 Y 8.07 4.72 0.00 3.27 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 56 V 7.22 4.96 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 0.48 0.00 0.00 1.00 0.00 0.00 57 Q 8.78 4.63 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 58 D 9.01 4.88 0.00 2.61 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 59 I 8.22 4.11 1.86 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 1.22 0.66 0.89 0.00 0.00