NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4863 8.3344 115.3025 58.2016 63.8268 172.0936 8 D 5.1085 8.4561 121.9658 50.5652 44.2041 173.5112 9 F 5.3954 9.2378 120.1778 55.1944 42.1866 173.5343 10 V 4.5606 8.9510 111.7422 59.5232 35.7537 174.8862 11 V 4.8806 8.6254 123.4858 61.3915 33.8689 174.6140 12 I 4.9462 8.8015 127.8411 59.5569 41.0204 174.0263 13 K 4.9527 9.3817 129.4289 54.2375 34.3441 175.0918 14 A 4.4206 8.6709 130.2617 52.1234 19.2437 177.3761 15 L 4.8094 8.8478 122.1013 54.5406 42.5561 175.6779 16 E 4.7419 7.6717 115.9585 55.0306 32.6296 174.4026 17 D 4.4432 8.6132 119.9379 54.8006 41.7797 176.5892 18 G 3.7958 8.4752 109.0408 46.5367 0.0000 174.1132 19 V 4.0000 7.8645 119.6130 62.5744 33.1769 174.3260 20 N 5.4128 8.8754 124.2104 51.4356 41.7383 173.5079 21 V 4.5039 8.7307 124.1461 61.3875 33.6412 174.2993 22 I 4.6914 8.7491 130.1327 59.3261 39.6929 175.1785 23 G 4.0237 8.7892 115.7754 45.6858 0.0000 172.1757 24 L 5.4279 9.0173 127.0915 53.3851 43.6836 176.4269 25 T 4.6703 8.9121 115.3466 61.5994 69.3900 174.3851 26 R 4.6576 8.0917 126.7628 56.6148 30.8873 175.5780 27 G 3.7655 8.8280 110.4714 43.9169 0.0000 172.7660 28 A 4.0905 8.6537 121.9730 54.8047 18.5361 178.0010 29 D 4.7987 7.8017 113.5999 53.2464 42.5196 176.4393 30 T 4.6705 8.2935 119.0995 61.8477 70.3215 173.0625 31 R 4.4234 9.0754 122.8311 54.1373 33.9473 174.5134 32 F 5.7699 8.3524 118.0966 55.8157 38.5617 175.9692 33 H 4.5058 8.8849 120.8796 58.1493 29.3075 175.1153 34 H 4.9091 7.5502 118.0260 54.8060 33.5930 172.5883 35 S 4.8096 7.9480 117.9897 56.8200 64.6949 172.5276 36 E 4.3638 9.0029 129.6110 55.3120 30.9235 175.0105 37 K 4.8151 8.5537 127.8301 55.5600 33.7673 175.4686 38 L 5.0053 9.1047 126.5919 53.1890 45.2279 175.9227 39 D 5.1470 9.4738 123.3884 51.9779 43.9445 175.4863 40 K 3.9869 8.8978 121.5521 59.8013 32.0013 175.9185 41 G 4.1075 8.8400 115.6935 45.4541 0.0000 173.4446 42 E 4.2194 8.1708 118.9749 56.5819 30.7904 176.3723 43 V 4.9190 8.2086 121.0764 61.1037 34.6518 174.1837 44 L 4.7899 8.9345 129.4405 53.2631 44.9163 174.9655 45 I 5.0234 8.4477 125.6483 59.6206 39.6265 174.5941 46 A 4.7355 8.7848 129.0720 50.0799 21.8357 175.2410 47 Q 4.7435 8.6246 120.8520 54.9503 30.4142 175.8154 48 F 4.7081 8.4315 120.9237 57.8924 39.8731 174.9974 49 T 4.7648 8.9891 111.6799 59.6523 71.9269 174.1398 50 E 4.0704 8.8957 121.3317 58.7293 29.6342 176.4980 51 H 4.9109 8.2765 113.0018 55.7281 32.3209 173.0240 52 T 5.2338 8.7083 116.2876 61.8807 70.7430 174.6909 53 S 4.9580 8.9854 120.0439 57.9231 64.8188 173.3998 54 A 5.2156 7.8541 121.1202 51.2750 22.5145 175.3161 55 I 5.0032 8.5870 121.2195 59.3661 40.7029 174.6563 56 K 4.5612 8.9470 128.4015 54.4783 34.5770 174.7045 57 V 5.0242 8.3823 126.7947 61.0141 34.0573 174.6900 58 R 4.5498 8.8222 123.1105 55.6609 32.6647 175.3884 59 G 4.4748 9.0389 108.3347 44.2286 0.0000 172.8369 60 K 4.3883 9.4780 121.6314 56.4637 33.0319 175.6771 61 A 5.1586 8.8997 128.2532 50.8607 23.4619 173.8432 62 Y 4.7218 9.3383 122.5674 56.4222 40.6675 174.4401 63 I 4.9847 7.9381 127.0509 59.5015 40.9665 174.3282 64 Q 4.9293 9.0735 125.8824 54.2721 31.4517 174.9079 65 T 4.8075 8.1571 113.0896 59.1901 72.2785 174.8958 66 R 3.8808 8.5343 121.1865 59.5544 29.9015 176.6713 67 H 4.4882 7.4991 112.4196 55.6370 29.1437 173.9061 68 G 3.7029 8.1039 106.0293 43.8585 0.0000 173.0521 69 V 4.1509 7.8721 111.5939 61.0423 32.6128 176.2081 70 I 4.5043 8.2671 123.2522 59.3938 41.9184 173.1072 71 E 4.9234 8.6302 129.8586 54.3321 30.9731 175.5152 72 S 4.5019 9.0311 122.9093 58.4213 64.2471 174.7402 73 E 4.5975 8.2116 118.8519 56.6842 31.8994 176.4314 74 G 3.7488 7.0141 107.0433 43.0329 0.0000 174.2585 75 K 4.2891 8.1245 126.3372 52.6513 30.7787 176.6843 76 K 4.1703 8.1954 121.5548 56.2334 31.5041 176.2542 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 7 S 8.33 4.49 0.00 3.91 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 8 D 8.46 5.11 0.00 2.91 2.68 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 9 F 9.24 5.40 0.00 3.05 2.91 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 0.00 10 V 8.95 4.56 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 0.55 0.00 0.00 0.81 0.00 0.00 11 V 8.63 4.88 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 1.14 0.00 0.00 1.12 0.00 0.00 12 I 8.80 4.95 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.91 0.00 0.00 13 K 9.38 4.95 0.00 1.84 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.38 7.81 14 A 8.67 4.42 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.85 4.81 0.00 1.61 1.71 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.74 0.00 1.92 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 2.36 2.34 0.00 17 D 8.61 4.44 0.00 2.58 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 18 G 8.48 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 0.00 0.00 0.00 19 V 7.86 4.00 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 0.84 0.00 0.00 1.00 0.00 0.00 20 N 8.88 5.41 0.00 2.60 2.60 0.00 0.00 6.40 7.49 0.00 0.00 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 V 8.73 4.50 2.06 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 0.93 0.00 0.00 0.90 0.00 0.00 22 I 8.75 4.69 1.51 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.38 0.27 0.00 0.00 23 G 8.79 4.02 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 0.00 0.00 0.00 24 L 9.02 5.43 0.00 1.87 1.74 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.91 4.67 4.31 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 1.39 0.00 0.00 26 R 8.09 4.66 0.00 1.87 1.99 0.00 3.26 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 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 28 A 8.65 4.09 1.29 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 0.00 0.00 0.00 29 D 7.80 4.80 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.67 4.25 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 1.28 0.00 0.00 31 R 9.08 4.42 0.00 1.68 1.89 0.00 2.73 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 1.50 1.61 0.00 32 F 8.35 5.77 0.00 2.95 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 33 H 8.88 4.51 0.00 3.29 3.52 0.00 5.72 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 34 H 7.55 4.91 0.00 3.36 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.95 4.81 0.00 3.76 3.62 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 36 E 9.00 4.36 0.00 2.24 1.80 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 2.30 2.31 0.00 37 K 8.55 4.82 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.10 5.01 0.00 1.54 1.50 0.92 0.99 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 39 D 9.47 5.15 0.00 2.54 2.72 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 0.00 0.00 0.00 40 K 8.90 3.99 0.00 1.79 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.54 7.81 41 G 8.84 4.11 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 0.00 0.00 0.00 42 E 8.17 4.22 0.00 2.08 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 2.33 2.26 0.00 43 V 8.21 4.92 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 0.85 0.00 0.00 0.95 0.00 0.00 44 L 8.93 4.79 0.00 1.77 1.46 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 5.02 1.82 0.00 0.00 0.83 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 0.81 0.94 0.00 0.00 46 A 8.78 4.74 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.62 4.74 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 48 F 8.43 4.71 0.00 3.02 2.93 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 49 T 8.99 4.76 4.32 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 1.29 0.00 0.00 50 E 8.90 4.07 0.00 1.94 1.99 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 2.10 2.29 0.00 51 H 8.28 4.91 0.00 3.04 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.71 5.23 4.39 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 1.43 0.00 0.00 53 S 8.99 4.96 0.00 3.85 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 54 A 7.85 5.22 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 55 I 8.59 5.00 1.84 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.85 0.00 0.00 56 K 8.95 4.56 0.00 1.71 1.43 0.00 1.51 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.30 7.81 57 V 8.38 5.02 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 0.87 0.00 0.00 0.89 0.00 0.00 58 R 8.82 4.55 0.00 1.87 1.91 0.00 2.69 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 59 G 9.04 4.47 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 0.00 60 K 9.48 4.39 0.00 1.92 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.90 5.16 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 62 Y 9.34 4.72 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 4.98 1.90 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 1.18 0.71 0.82 0.00 0.00 64 Q 9.07 4.93 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 65 T 8.16 4.81 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 66 R 8.53 3.88 0.00 1.60 1.84 0.00 3.18 0.00 0.00 3.50 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 67 H 7.50 4.49 0.00 3.16 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.10 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 69 V 7.87 4.15 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.92 0.00 0.00 70 I 8.27 4.50 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.34 0.83 0.00 0.00 71 E 8.63 4.92 0.00 2.00 1.84 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 2.47 2.49 0.00 72 S 9.03 4.50 0.00 3.91 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 73 E 8.21 4.60 0.00 1.93 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 0.00 2.20 2.27 0.00 74 G 7.01 3.75 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 0.00 0.00 0.00 75 K 8.12 4.29 0.00 1.73 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 76 K 8.20 4.17 0.00 1.84 2.09 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.31 7.81