NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4442 8.3349 115.2902 58.1358 63.5159 173.9043 1 M 3.7726 8.8969 125.6480 56.8078 32.6091 175.6563 2 M 3.5610 8.5133 116.9880 55.0170 31.3531 174.2210 3 P 4.4835 0.0000 0.0000 62.7047 33.4631 177.0708 4 I 4.8547 8.3560 124.1361 59.6238 39.8645 174.8014 5 V 4.3908 8.9846 128.0597 60.9485 33.8537 173.7194 6 N 5.3899 8.7799 125.8822 51.7325 41.4623 173.2977 7 V 4.3094 8.9410 126.5458 61.1540 33.9779 174.0946 8 K 5.1004 8.5438 128.0813 55.0394 33.4249 175.9310 9 L 4.3744 8.4427 123.8546 53.9943 44.4505 174.3089 10 L 4.6303 8.4096 121.9466 55.3145 42.3579 176.5109 11 E 4.2486 8.9432 124.6759 56.7898 30.4395 177.0238 12 G 4.0000 8.8477 107.9848 45.3700 0.0000 174.2528 13 R 4.1087 7.7829 117.9799 55.5133 30.9359 177.3502 14 S 4.3958 8.4614 116.4058 58.0842 65.1062 175.0758 15 D 4.3204 8.5636 121.8102 57.5375 40.8801 178.2134 16 E 3.9191 8.0880 119.4263 59.2333 29.6759 178.4985 17 Q 3.9883 8.2198 118.1666 58.9178 28.7645 178.8683 18 L 3.9517 7.9994 119.8408 57.6486 41.7283 179.3562 19 K 3.8758 8.2449 119.6763 59.8248 32.1267 178.5599 20 N 4.3460 8.4545 116.9229 55.9929 38.3383 177.0869 21 L 3.9065 8.2359 122.2161 58.2445 42.3105 179.2455 22 V 3.5491 7.8687 118.0266 66.0181 31.4195 177.9762 23 S 4.0699 7.9935 112.7356 61.5622 62.2978 176.0266 24 E 3.9764 8.6320 121.7782 59.2463 29.1838 179.4525 25 V 3.5956 8.1018 118.6813 66.1900 31.4758 178.2413 26 T 3.8514 7.8110 115.0864 66.6732 68.2639 176.1417 27 D 4.3392 8.2625 120.6126 57.4227 40.7556 178.8729 28 A 3.9620 8.0947 121.0048 55.1550 18.4816 179.8662 29 V 3.4994 7.8906 116.7302 66.0133 31.6482 177.7406 30 E 3.9063 8.3810 119.4984 59.3178 29.3163 179.0156 31 K 4.0786 8.0855 117.5657 59.6341 32.8327 178.5241 32 T 4.2390 7.6475 109.7943 63.0304 69.2966 176.0083 33 T 4.4709 7.8243 110.5494 60.6013 70.2595 175.5361 34 G 3.8429 8.0760 108.4824 45.3304 0.0000 173.5133 35 A 4.1048 7.6198 122.3430 51.5751 19.1279 177.9949 36 N 4.4084 8.6355 119.1054 53.2314 39.4329 176.3659 37 R 3.8967 8.7744 123.3561 59.3889 30.3361 178.2014 38 Q 4.0423 8.0663 113.7524 57.9279 28.8362 176.2943 39 A 4.4785 8.0422 121.2770 51.9805 19.4576 175.6271 40 I 4.6143 7.4400 118.3759 60.2044 38.6293 175.0437 41 H 5.0079 9.1713 124.2869 53.8645 32.0156 173.2020 42 V 4.8907 8.3841 121.2038 61.0933 34.4726 174.5541 43 V 4.4935 9.0097 127.3960 61.1152 34.5474 173.8907 44 I 4.8963 8.4209 127.7980 59.5965 39.4374 174.6434 45 E 4.6168 9.2825 126.7752 54.5757 31.8903 175.1416 46 E 4.8291 8.7997 124.5259 55.9584 30.9776 175.9781 47 M 4.8792 8.8875 122.8073 53.2754 35.6488 175.5327 48 K 4.7656 8.6366 122.1294 55.5839 33.3681 176.6001 49 P 3.8001 0.0000 0.0000 65.1867 31.4669 177.2836 50 N 4.9133 7.9949 114.0291 52.8012 37.4510 174.8351 51 H 4.8484 8.2313 114.8653 55.7247 29.8330 172.9796 52 Y 4.8678 7.1220 116.9591 56.3376 40.3633 173.4854 53 G 4.3895 8.3820 108.1316 46.1359 0.0000 172.7535 54 V 4.3866 7.4613 116.8660 60.7315 34.2459 175.1777 55 A 3.4245 9.7804 122.3093 53.2665 15.9497 178.5184 56 G 3.9319 8.5856 105.1069 46.7029 0.0000 174.0628 57 V 4.3323 7.5534 119.9697 60.6374 33.7943 175.3031 58 R 4.4165 8.2633 125.7071 55.5761 30.8290 177.7341 59 K 3.8951 7.9538 120.9367 59.4697 32.4611 179.0987 60 S 4.1624 7.9395 113.2735 60.3190 63.2592 174.1039 61 D 4.4702 7.6994 125.5441 54.3556 40.6643 176.0216 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 0 S 8.33 4.44 0.00 3.85 3.83 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 1 M 8.90 3.77 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 2 M 8.51 3.56 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 3 P 0.00 4.48 0.00 2.13 1.96 0.00 3.68 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 2.11 2.12 0.00 4 I 8.36 4.85 1.87 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 0.79 0.90 0.00 0.00 5 V 8.98 4.39 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 0.98 0.00 0.00 0.93 0.00 0.00 6 N 8.78 5.39 0.00 2.72 2.64 0.00 0.00 6.86 7.71 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 7 V 8.94 4.31 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 0.81 0.00 0.00 0.92 0.00 0.00 8 K 8.54 5.10 0.00 1.58 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 L 8.44 4.37 0.00 1.62 1.65 0.90 0.35 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 10 L 8.41 4.63 0.00 1.79 1.67 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.94 4.25 0.00 2.01 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 2.46 2.30 0.00 12 G 8.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.11 0.00 1.79 1.87 0.00 3.37 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 14 S 8.46 4.40 0.00 4.01 3.99 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 15 D 8.56 4.32 0.00 2.81 2.70 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 16 E 8.09 3.92 0.00 2.12 1.92 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 2.37 2.46 0.00 17 Q 8.22 3.99 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 18 L 8.00 3.95 0.00 1.92 1.71 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.24 3.88 0.00 1.90 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 20 N 8.45 4.35 0.00 2.88 2.84 0.00 0.00 6.71 7.18 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 21 L 8.24 3.91 0.00 1.83 1.90 0.91 0.79 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 22 V 7.87 3.55 2.20 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 0.93 0.00 0.00 0.96 0.00 0.00 23 S 7.99 4.07 0.00 3.95 3.83 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 24 E 8.63 3.98 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 25 V 8.10 3.60 2.19 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 1.03 0.00 0.00 0.97 0.00 0.00 26 T 7.81 3.85 4.42 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 1.19 0.00 0.00 27 D 8.26 4.34 0.00 2.88 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 28 A 8.09 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.50 2.19 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 0.98 0.00 0.00 0.98 0.00 0.00 30 E 8.38 3.91 0.00 2.14 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 2.30 2.53 0.00 31 K 8.09 4.08 0.00 1.95 1.92 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.44 7.81 32 T 7.65 4.24 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 1.27 0.00 0.00 33 T 7.82 4.47 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 34 G 8.08 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 0.00 0.00 0.00 35 A 7.62 4.10 1.26 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 0.00 0.00 0.00 36 N 8.64 4.41 0.00 2.76 2.99 0.00 0.00 6.70 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 37 R 8.77 3.90 0.00 1.91 1.91 0.00 3.30 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 38 Q 8.07 4.04 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 39 A 8.04 4.48 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.44 4.61 1.93 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 0.81 0.90 0.00 0.00 41 H 9.17 5.01 0.00 3.09 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.38 4.89 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 0.77 0.00 0.00 0.93 0.00 0.00 43 V 9.01 4.49 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 0.95 0.00 0.00 0.93 0.00 0.00 44 I 8.42 4.90 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 1.33 0.75 0.89 0.00 0.00 45 E 9.28 4.62 0.00 1.80 1.82 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 2.19 2.23 0.00 46 E 8.80 4.83 0.00 1.84 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 2.28 2.32 0.00 47 M 8.89 4.88 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 48 K 8.64 4.77 0.00 1.81 1.84 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.88 1.40 7.81 49 P 0.00 3.80 0.00 2.09 2.25 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 50 N 7.99 4.91 0.00 2.81 2.93 0.00 0.00 6.22 7.90 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 51 H 8.23 4.85 0.00 3.38 3.44 0.00 5.87 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.12 4.87 0.00 3.15 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 53 G 8.38 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 0.00 0.00 0.00 0.00 54 V 7.46 4.39 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 0.80 0.00 0.00 0.95 0.00 0.00 55 A 9.78 3.42 1.36 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 0.00 0.00 56 G 8.59 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 57 V 7.55 4.33 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 0.97 0.00 0.00 0.92 0.00 0.00 58 R 8.26 4.42 0.00 1.97 1.83 0.00 3.20 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 59 K 7.95 3.90 0.00 1.34 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.93 1.41 7.81 60 S 7.94 4.16 0.00 3.98 4.03 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 0.00 0.00 0.00 0.00 61 D 7.70 4.47 0.00 2.78 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