NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3919 8.2893 118.1938 54.6889 31.3491 173.0299 2 P 4.4220 0.0000 0.0000 60.7217 32.5147 174.4677 3 K 4.3156 8.2595 125.1371 54.8552 34.1836 177.1194 4 I 3.9618 8.1189 119.0639 60.6571 38.3583 175.5893 5 I 4.2195 8.1469 125.3344 60.4613 38.5471 174.5834 6 E 4.8160 8.5696 122.4555 54.8271 31.4712 174.8854 7 A 5.1190 8.5968 124.6765 50.3676 23.0279 175.3220 8 V 4.3361 9.0488 113.8342 59.5223 34.5705 174.8116 9 Y 4.2976 8.7374 127.4353 57.4484 39.0481 173.4296 10 E 4.4978 8.8571 128.1240 55.0239 31.9174 175.5473 11 N 4.1336 9.5712 122.6028 54.5063 37.3655 174.4449 12 G 4.0693 7.6425 102.0699 43.3385 0.0000 173.6341 13 V 4.4571 6.9081 119.1532 60.6857 34.9150 174.5856 14 F 4.9515 9.0692 125.7279 56.7262 39.8013 175.2398 15 K 4.7208 8.9614 124.8818 53.5239 34.5374 174.6278 16 P 4.8494 0.0000 0.0000 63.3017 31.6298 176.2270 17 L 4.4692 9.0678 119.2393 55.0422 42.4421 176.9840 18 Q 4.7455 7.6477 116.1784 53.5400 32.0589 174.8893 19 K 4.2594 8.4654 119.7472 55.9117 32.9927 176.8374 20 V 4.3855 8.1431 122.6480 61.3646 33.7378 174.3435 21 D 4.6998 8.4728 123.5069 54.0981 41.0006 176.2515 22 L 4.4054 7.5797 118.3479 53.7922 42.8495 175.4191 23 K 4.6651 8.3240 117.6692 54.3914 35.3055 175.3869 24 E 4.0268 8.5648 118.0655 58.6593 29.4516 176.7272 25 G 4.1175 9.0170 112.6212 45.1139 0.0000 172.3154 26 E 4.1530 7.8119 120.7492 55.3710 30.2037 176.0143 27 R 4.5816 8.4212 124.9007 54.6658 31.7794 175.9462 28 V 4.5557 8.0300 114.5773 59.4892 35.7860 174.6619 29 K 4.6041 8.3545 119.9569 54.6273 34.5028 176.0013 30 I 4.4575 7.8570 122.6564 59.4155 39.9350 174.8764 31 K 4.4089 8.0371 121.6552 55.8593 35.0114 174.9557 32 L 4.3116 8.2234 119.8787 53.3246 41.7390 176.8798 33 E 3.9198 8.7071 124.9403 57.2091 30.3056 178.1066 34 L 3.5250 8.4075 124.3754 54.8193 41.3067 173.4015 35 K 4.6133 8.2654 116.9184 54.9652 35.0683 175.8767 36 V 4.0475 7.8919 119.5618 60.5261 32.5504 175.6240 37 E 4.1206 8.3856 120.3384 55.3840 29.7992 174.9942 38 P 4.4596 0.0000 0.0000 62.3346 31.9347 175.4888 39 I 4.1075 7.8466 112.4372 59.9332 38.5576 175.1401 40 D 4.5582 8.2478 120.3171 53.8850 41.1895 176.5696 41 L 4.3853 8.2570 121.9387 55.5096 42.2063 177.1319 42 G 4.0756 8.0500 110.3955 44.4416 0.0000 172.9177 43 E 3.8785 9.0282 124.2532 56.0567 29.7107 174.9451 44 P 4.3587 0.0000 0.0000 62.4164 32.0196 176.2698 45 V 4.0190 8.1867 123.1200 61.8178 32.6020 175.2612 46 S 4.5132 8.2335 119.4024 57.1695 64.5766 174.6010 47 V 3.9694 7.9713 122.0046 61.8379 30.2442 175.8554 48 E 4.2824 8.4324 123.8932 56.2962 30.1538 178.4328 49 E 3.9245 7.5632 119.9468 59.6643 29.5973 177.9900 50 I 4.1093 7.6472 109.5166 60.7707 37.5899 175.7739 51 K 4.1327 7.9515 123.0169 56.6332 32.5170 176.2485 52 K 4.6616 8.1280 123.2753 54.8150 35.6631 175.4756 53 I 3.9639 8.1641 121.1433 60.5010 38.5950 176.6995 54 R 4.1706 8.3660 128.2525 55.9396 28.1036 174.2663 55 D 4.8351 8.1105 121.5973 52.0298 43.0794 176.0335 56 G 4.0854 8.4343 112.6541 44.1240 0.0000 171.7389 57 T 4.7203 8.2643 118.6445 59.4923 70.7161 173.0456 58 W 4.5520 8.5977 134.9873 56.7457 31.5699 175.8157 59 M 3.9144 7.0408 121.9155 54.8476 31.8863 176.3913 60 S 4.3246 7.9703 115.2449 58.2844 63.8595 174.8527 61 S 4.5013 8.5014 113.9263 58.1792 62.4483 171.2957 62 L 3.4496 7.4661 127.3109 53.5046 41.9327 174.0597 63 E 4.0705 8.4265 122.2890 56.7047 29.4150 177.1022 64 H 4.1770 8.8511 124.1284 56.4663 29.3407 171.5022 65 H 4.5518 8.9885 127.1621 55.9259 31.4573 173.8281 66 H 4.4164 8.5077 123.2858 56.2523 29.6818 170.4961 67 H 4.2792 8.9433 130.1547 55.5394 30.4862 174.1135 68 H 4.1861 8.7974 126.5435 56.5670 30.3695 174.4574 69 H 4.4982 8.1017 120.3791 55.7233 28.5082 173.2253 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 8.29 4.39 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 2 P 0.00 4.42 0.00 2.27 2.09 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 3 K 8.26 4.32 0.00 1.73 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.36 7.81 4 I 8.12 3.96 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 1.42 0.98 0.96 0.00 0.00 5 I 8.15 4.22 1.88 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 0.84 0.92 0.00 0.00 6 E 8.57 4.82 0.00 1.93 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 2.30 0.00 7 A 8.60 5.12 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 8 V 9.05 4.34 2.09 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 0.84 0.00 0.00 0.98 0.00 0.00 9 Y 8.74 4.30 0.00 1.55 2.47 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 10 E 8.86 4.50 0.00 1.88 1.61 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 2.11 2.12 0.00 11 N 9.57 4.13 0.00 2.75 2.70 0.00 0.00 7.28 7.92 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 12 G 7.64 4.07 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 0.00 0.00 0.00 13 V 6.91 4.46 2.04 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 0.94 0.00 0.00 0.88 0.00 0.00 14 F 9.07 4.95 0.00 3.07 3.05 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 0.00 0.00 0.00 0.00 15 K 8.96 4.72 0.00 1.80 1.71 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.33 7.81 16 P 0.00 4.85 0.00 2.42 2.11 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 17 L 9.07 4.47 0.00 1.62 1.77 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.65 4.75 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 19 K 8.47 4.26 0.00 1.73 1.75 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.49 7.81 20 V 8.14 4.39 2.09 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 0.78 0.00 0.00 0.98 0.00 0.00 21 D 8.47 4.70 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.41 0.00 1.68 1.72 0.92 0.91 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 K 8.32 4.67 0.00 1.87 1.87 0.00 1.31 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.33 7.81 24 E 8.56 4.03 0.00 2.10 2.04 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 2.28 2.31 0.00 25 G 9.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 4.15 0.00 2.14 1.85 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 2.31 2.31 0.00 27 R 8.42 4.58 0.00 1.79 1.82 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 28 V 8.03 4.56 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 0.71 0.00 0.00 0.85 0.00 0.00 29 K 8.35 4.60 0.00 1.64 1.63 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.43 7.81 30 I 7.86 4.46 1.62 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.31 0.65 0.00 0.00 31 K 8.04 4.41 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.43 7.81 32 L 8.22 4.31 0.00 1.66 1.67 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.71 3.92 0.00 1.90 1.86 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 2.29 2.40 0.00 34 L 8.41 3.52 0.00 1.78 1.68 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.27 4.61 0.00 1.70 1.71 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 36 V 7.89 4.05 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 0.72 0.00 0.00 0.93 0.00 0.00 37 E 8.39 4.12 0.00 1.96 1.94 0.00 0.00 0.00 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 2.36 0.00 38 P 0.00 4.46 0.00 2.17 2.10 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 39 I 7.85 4.11 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 1.41 0.59 0.91 0.00 0.00 40 D 8.25 4.56 0.00 2.69 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 41 L 8.26 4.39 0.00 1.73 1.66 0.92 0.30 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 42 G 8.05 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.03 3.88 0.00 1.95 1.95 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 2.32 2.38 0.00 44 P 0.00 4.36 0.00 2.17 2.07 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 45 V 8.19 4.02 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 0.93 0.00 0.00 0.93 0.00 0.00 46 S 8.23 4.51 0.00 4.01 3.84 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 0.00 0.00 0.00 47 V 7.97 3.97 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 48 E 8.43 4.28 0.00 2.19 2.16 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 2.34 2.32 0.00 49 E 7.56 3.92 0.00 2.10 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 0.00 2.35 2.27 0.00 50 I 7.65 4.11 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 1.49 0.53 0.91 0.00 0.00 51 K 7.95 4.13 0.00 2.09 1.75 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.38 7.81 52 K 8.13 4.66 0.00 1.84 1.70 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 53 I 8.16 3.96 1.88 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 0.83 0.92 0.00 0.00 54 R 8.37 4.17 0.00 1.82 1.86 0.00 3.28 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 55 D 8.11 4.84 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 4.09 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 0.00 0.00 0.00 57 T 8.26 4.72 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 58 W 8.60 4.55 0.00 3.23 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 59 M 7.04 3.91 0.00 1.55 0.98 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 60 S 7.97 4.32 0.00 3.95 3.96 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 61 S 8.50 4.50 0.00 3.95 4.04 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 62 L 7.47 3.45 0.00 1.70 1.60 0.82 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.43 4.07 0.00 1.97 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 2.41 2.30 0.00 64 H 8.85 4.18 0.00 3.12 3.36 0.00 6.04 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.99 4.55 0.00 3.24 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.51 4.42 0.00 3.13 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.94 4.28 0.00 3.30 3.41 0.00 5.76 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 68 H 8.80 4.19 0.00 3.12 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.10 4.50 0.00 3.18 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00