NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4934 8.1593 117.3240 62.6700 70.2814 173.2201 2 P 4.4326 0.0000 0.0000 60.6192 32.8166 173.9113 3 D 4.5559 8.8192 122.0375 54.1460 40.0152 177.1779 4 C 4.8182 9.0450 122.1338 57.9571 46.5517 174.2086 5 V 4.6344 7.1732 115.8118 60.7693 34.2994 173.1278 6 T 4.8981 9.3184 118.7626 60.6256 72.3097 174.1554 7 G 3.9833 7.9301 113.5608 44.6278 0.0000 171.7676 8 K 4.3597 7.8025 118.9656 55.7831 32.6254 177.2484 9 V 3.9376 8.0538 120.9406 62.5311 31.6634 175.8878 10 E 4.2854 8.9991 128.8606 59.2875 30.0199 177.0321 11 Y 4.8299 6.8870 114.0100 56.4822 40.4995 173.0170 12 T 4.9795 8.9012 111.1766 59.9170 71.8643 173.0560 13 K 4.4771 8.7948 124.0961 54.9203 34.6178 174.5514 14 Y 4.5481 8.6663 127.0695 56.1600 39.5427 174.8890 15 N 4.7183 7.9208 124.3418 52.6712 40.7093 173.8844 16 D 4.6930 8.4969 115.8235 56.6111 42.8024 178.8127 17 D 4.4453 8.0049 113.9798 53.2630 38.6172 175.8152 18 D 4.1417 8.8179 116.5017 55.7413 41.1330 173.2871 19 T 4.2278 7.6014 114.6130 63.6659 69.9738 173.4542 20 F 4.6917 8.6968 128.3488 57.6086 41.3036 174.2888 21 T 5.0379 8.0948 121.8870 61.8544 72.3815 173.3671 22 V 4.7425 9.1203 118.6911 59.3250 35.8670 174.5685 23 K 4.6041 8.4636 124.6921 54.7116 33.7096 175.0631 24 V 4.3985 7.8854 127.1972 60.7563 34.5812 174.7379 25 G 3.9239 8.9084 116.8349 47.1707 0.0000 175.0068 26 D 4.6891 8.7820 123.7995 52.7180 40.4549 175.8527 27 K 4.5690 7.5223 119.6174 54.8297 35.5925 175.0795 28 E 4.6803 8.6555 122.6955 54.9027 31.3138 174.5944 29 L 5.4092 8.5181 126.8593 52.9712 45.2328 175.6521 30 F 5.5054 8.6985 115.2076 55.5575 41.2710 173.9028 31 T 4.3164 8.4407 113.7176 60.5991 70.1272 173.3443 32 N 4.5912 8.6261 122.9251 52.9341 39.7182 175.1312 33 R 4.1850 7.5542 119.7120 55.2486 29.9990 176.9737 34 W 4.1483 9.1791 124.4696 60.0834 29.0366 178.2849 35 N 4.3941 8.3117 115.3810 56.0673 38.6167 176.4683 36 L 4.0944 7.7692 121.9107 57.9693 42.0309 178.9480 37 Q 3.5297 7.4976 117.7886 58.6053 28.5526 178.5058 38 S 4.1618 7.7554 115.8135 61.3129 62.8293 176.5525 39 L 3.9462 7.8789 121.2767 57.9747 41.3995 179.5192 40 L 4.3258 8.0494 118.2909 57.6344 41.4415 179.6163 41 L 4.1741 7.8546 118.9404 57.8646 41.5843 179.5921 42 S 4.1513 8.3315 114.9952 61.4471 62.8780 176.5339 43 A 4.1023 8.3431 123.6411 55.1210 17.8632 179.5105 44 Q 3.9356 8.4375 118.1087 59.6315 29.0468 178.6009 45 I 3.7885 8.0852 119.9045 63.7051 37.1979 177.4840 46 T 4.4700 8.0894 108.0347 61.1666 69.3570 175.5282 47 G 3.9410 7.7787 110.0241 45.4556 0.0000 173.6393 48 M 4.3101 7.5482 118.3087 55.9945 33.0281 175.7607 49 T 4.6376 8.2216 116.2839 62.1108 71.0876 174.3353 50 V 5.2126 8.2437 117.9512 58.8096 36.2115 174.6250 51 T 4.8565 7.9235 117.5731 61.9377 72.1162 172.8775 52 I 4.4353 8.3642 127.5046 59.5131 39.2021 174.7113 53 K 4.8842 8.1292 126.7933 55.1090 33.7318 175.5972 54 T 4.2081 8.1234 117.1627 62.2011 70.4844 172.4924 55 N 4.6179 8.9962 121.3079 54.3280 39.8422 175.3246 56 A 4.4662 7.6491 121.8363 52.4718 19.3642 177.3368 57 C 5.0620 7.9035 120.0969 56.4436 40.2207 171.6606 58 H 4.9285 7.4648 116.6100 53.6852 31.1929 173.6961 59 N 4.4518 8.7742 118.0941 55.6389 38.7114 175.2687 60 G 4.1674 9.2038 111.7996 45.2573 0.0000 174.2032 61 G 4.2367 8.1793 107.7514 46.0013 0.0000 173.3822 62 G 3.6899 8.2076 108.6462 45.3907 0.0000 172.2376 63 F 5.0447 7.2673 113.9934 56.2186 40.6040 174.8039 64 S 4.5706 8.7038 109.2070 58.7857 65.1584 173.2776 65 E 4.7822 8.4257 121.4295 54.8650 32.2543 174.9487 66 V 4.6316 8.4148 123.5024 61.0621 35.2454 174.1919 67 I 4.4726 8.2212 127.5181 59.4839 39.9042 174.3593 68 F 5.0298 8.9591 125.1855 55.8924 40.3643 175.9617 69 R 4.3524 8.8718 122.4085 56.2327 30.3992 176.1012 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 T 8.16 4.49 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 1.21 0.00 0.00 2 P 0.00 4.43 0.00 2.17 2.15 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 3 D 8.82 4.56 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.04 4.82 0.00 2.87 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 5 V 7.17 4.63 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.92 0.00 0.00 6 T 9.32 4.90 4.18 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 1.16 0.00 0.00 7 G 7.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.36 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.41 7.81 9 V 8.05 3.94 2.11 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 0.83 0.00 0.00 0.95 0.00 0.00 10 E 9.00 4.29 0.00 1.67 1.89 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 2.25 2.31 0.00 11 Y 6.89 4.83 0.00 2.95 2.99 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 12 T 8.90 4.98 3.91 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 1.34 0.00 0.00 13 K 8.79 4.48 0.00 1.61 1.70 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.37 7.81 14 Y 8.67 4.55 0.00 3.16 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 15 N 7.92 4.72 0.00 2.88 2.85 0.00 0.00 6.79 7.94 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 16 D 8.50 4.69 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.45 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 4.14 0.00 2.56 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.23 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 1.15 0.00 0.00 20 F 8.70 4.69 0.00 2.99 3.06 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 21 T 8.09 5.04 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 1.27 0.00 0.00 22 V 9.12 4.74 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 0.91 0.00 0.00 1.07 0.00 0.00 23 K 8.46 4.60 0.00 0.86 0.74 0.00 1.52 0.00 0.00 1.40 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.54 0.97 7.81 24 V 7.89 4.40 1.91 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 0.77 0.00 0.00 0.81 0.00 0.00 25 G 8.91 3.92 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 0.00 0.00 0.00 26 D 8.78 4.69 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 4.57 0.00 1.66 1.71 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.33 7.81 28 E 8.66 4.68 0.00 2.05 1.88 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 2.33 2.33 0.00 29 L 8.52 5.41 0.00 1.87 1.91 0.69 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.70 5.51 0.00 3.16 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 31 T 8.44 4.32 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 32 N 8.63 4.59 0.00 2.73 2.78 0.00 0.00 7.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.55 4.19 0.00 1.77 1.90 0.00 3.31 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 34 W 9.18 4.15 0.00 3.42 3.35 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 35 N 8.31 4.39 0.00 2.90 2.85 0.00 0.00 6.81 6.66 0.00 0.00 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 L 7.77 4.09 0.00 1.83 1.70 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.50 3.53 0.00 1.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 1.70 2.21 0.00 38 S 7.76 4.16 0.00 3.89 3.92 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 39 L 7.88 3.95 0.00 1.96 1.61 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.05 4.33 0.00 1.93 2.01 1.34 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.85 4.17 0.00 1.98 1.80 1.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.33 4.15 0.00 4.01 3.90 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 43 A 8.34 4.10 1.64 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 0.00 0.00 44 Q 8.44 3.94 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 45 I 8.09 3.79 1.91 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 1.62 0.98 0.93 0.00 0.00 46 T 8.09 4.47 4.26 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 1.23 0.00 0.00 47 G 7.78 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.55 4.31 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 49 T 8.22 4.64 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 1.18 0.00 0.00 50 V 8.24 5.21 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.83 0.00 0.00 51 T 7.92 4.86 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 1.11 0.00 0.00 52 I 8.36 4.44 1.44 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.21 -0.05 0.00 0.00 53 K 8.13 4.88 0.00 1.56 1.67 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.27 7.81 54 T 8.12 4.21 4.26 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 1.18 0.00 0.00 55 N 9.00 4.62 0.00 2.75 2.85 0.00 0.00 6.87 7.35 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 56 A 7.65 4.47 1.24 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 0.00 0.00 57 C 7.90 5.06 0.00 2.91 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.46 4.93 0.00 3.37 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.77 4.45 0.00 2.78 2.90 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 60 G 9.20 4.17 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 0.00 0.00 0.00 61 G 8.18 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 0.00 0.00 0.00 0.00 62 G 8.21 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.27 5.04 0.00 2.86 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 64 S 8.70 4.57 0.00 3.94 3.87 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 0.00 0.00 0.00 65 E 8.43 4.78 0.00 2.08 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 2.30 2.28 0.00 66 V 8.41 4.63 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 0.05 0.00 0.00 0.96 0.00 0.00 67 I 8.22 4.47 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.89 0.00 0.00 68 F 8.96 5.03 0.00 2.88 3.01 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 0.00 0.00 0.00 0.00 69 R 8.87 4.35 0.00 1.75 1.80 0.00 3.13 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00