NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5168 8.3049 120.3269 54.8644 33.4911 175.0186 2 K 4.4022 7.4875 118.9980 57.5346 38.0894 177.6002 3 A 4.0373 8.0512 121.1792 54.3818 19.8245 178.5382 4 K 4.1029 8.0750 116.6419 59.6615 32.6551 178.0798 5 E 4.0051 8.2829 116.5629 59.1901 29.6351 176.9951 6 L 3.6228 7.6391 119.0520 56.5660 42.3286 175.7465 7 R 3.7553 9.1259 127.1898 55.9263 27.1055 175.6148 8 E 4.5059 8.1200 118.6056 55.0551 30.9389 172.5359 9 K 4.1738 8.2295 121.6136 56.3941 32.9261 176.4280 10 S 4.4822 8.5623 119.5419 59.4816 63.5755 175.7899 11 V 4.0752 7.4207 120.7597 64.7297 32.2799 176.7711 12 E 4.0317 8.1548 117.8148 59.8672 29.3526 178.9937 13 E 3.9910 8.1629 118.7710 59.1417 29.8683 178.1499 14 L 4.1537 7.6619 117.6507 56.7350 41.9450 177.8620 15 N 4.5271 8.3552 116.1712 56.2220 39.3079 177.0623 16 T 3.8416 7.8340 116.5883 67.4845 68.4929 175.0958 17 E 3.6930 8.3399 118.7116 60.3891 29.4783 178.3419 18 L 3.9236 8.3318 120.1678 58.2421 42.3703 179.9156 19 L 3.9989 8.2012 119.2508 58.3215 41.6593 178.1422 20 N 4.1586 8.9294 116.0478 57.2303 38.2011 176.7549 21 L 3.8870 8.0687 120.8528 56.9022 42.2479 179.6244 22 L 3.3225 8.5392 113.3435 58.2429 43.8574 179.7580 23 R 4.1002 6.2580 114.1438 58.2450 29.5101 179.0819 24 E 3.3594 8.4320 123.5425 59.9834 30.7497 178.1825 25 Q 4.1668 8.5477 127.0803 58.3172 29.8030 177.8407 26 F 4.4658 8.2668 121.1427 60.8722 39.5050 177.2686 27 N 4.3304 8.1944 115.5618 56.1733 38.4453 176.9925 28 L 4.1496 8.2947 120.8838 57.9202 41.6779 179.6656 29 R 3.7368 7.6497 117.6528 59.6580 29.8812 178.2901 30 M 3.7894 7.7107 117.2183 58.2551 32.2878 178.1346 31 Q 4.0226 9.2121 119.7450 59.2807 29.3462 177.9036 32 A 4.0203 8.4640 121.5334 55.5156 18.2620 179.4629 33 A 4.0890 8.1786 118.0771 54.1315 18.5249 178.4518 34 S 4.6794 7.9838 113.0058 58.3865 64.3546 176.4707 35 G 4.0561 7.8820 110.4025 46.8932 0.0000 175.7014 36 Q 4.2674 7.4107 122.5997 53.9973 28.1966 174.9890 37 L 3.6325 8.4546 130.1383 55.3179 40.5618 174.5338 38 Q 4.0329 8.7304 124.7894 58.3715 28.6634 177.1205 39 Q 4.4256 7.7693 120.0895 54.2430 28.3533 175.9254 40 S 4.1915 8.6110 120.9356 61.6760 62.9855 176.5365 41 H 4.0917 7.7819 113.5783 58.1370 27.7593 176.4650 42 L 3.7194 7.3920 119.2852 57.8536 42.2301 179.2404 43 L 3.8423 7.4607 117.4817 57.6828 41.9938 178.8914 44 K 3.4887 7.8301 116.2250 60.5480 32.2086 177.0563 45 Q 4.1970 6.6319 117.4164 57.4581 29.3444 175.9744 46 V 3.5994 8.2099 120.4707 63.6900 31.3130 173.0643 47 R 3.8915 8.1538 117.8420 59.9930 30.1073 179.1354 48 R 3.9851 8.1130 117.3570 58.9947 30.0152 178.6276 49 D 4.3154 8.0877 118.2978 57.4925 40.9440 178.5136 50 V 3.5383 8.4035 118.7976 66.2603 31.3608 177.5304 51 A 3.9905 7.6605 120.0124 55.6216 18.1350 179.8496 52 R 3.8457 7.9182 115.6728 59.3196 29.9414 179.2422 53 V 3.5610 7.9102 117.4286 66.2580 31.4508 177.8280 54 K 4.1943 7.9014 116.6769 59.1027 32.0777 179.1364 55 T 3.9740 8.4915 116.4240 65.7873 68.6224 174.6731 56 L 3.9928 7.3312 120.0164 56.0661 42.4600 175.7995 57 L 4.1751 8.9893 122.7776 55.0006 41.4278 174.7906 58 N 4.7609 7.5438 113.6141 53.1800 38.9206 174.6386 59 E 4.6378 7.8962 112.5762 56.2915 31.4284 176.7866 60 K 3.9934 8.2730 119.8289 58.3554 32.8526 176.5494 61 A 4.4853 7.8296 121.1298 51.6394 20.3907 178.4932 62 G 4.0515 8.8525 106.6177 45.9107 0.0000 173.9918 63 A 4.2303 7.8283 126.7362 52.3493 19.3231 175.5187 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 8.30 4.52 0.00 2.03 2.14 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 2.50 2.67 0.00 2 K 7.49 4.40 0.00 1.88 1.73 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 3 A 8.05 4.04 1.28 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 0.00 0.00 0.00 4 K 8.08 4.10 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 5 E 8.28 4.01 0.00 2.00 2.10 0.00 0.00 0.00 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 2.21 0.00 6 L 7.64 3.62 0.00 1.75 1.64 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.13 3.76 0.00 1.96 1.96 0.00 3.38 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 8 E 8.12 4.51 0.00 2.02 1.83 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 2.18 2.32 0.00 9 K 8.23 4.17 0.00 2.06 1.80 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.57 7.81 10 S 8.56 4.48 0.00 3.88 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 11 V 7.42 4.08 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 1.09 0.00 0.00 0.93 0.00 0.00 12 E 8.15 4.03 0.00 2.37 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 0.00 2.41 2.34 0.00 13 E 8.16 3.99 0.00 2.32 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 2.31 2.32 0.00 14 L 7.66 4.15 0.00 1.95 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.36 4.53 0.00 3.01 2.82 0.00 0.00 6.89 6.90 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 16 T 7.83 3.84 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 17 E 8.34 3.69 0.00 2.08 2.03 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 2.32 2.41 0.00 18 L 8.33 3.92 0.00 1.97 1.67 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.20 4.00 0.00 2.01 1.70 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.93 4.16 0.00 2.90 2.82 0.00 0.00 7.05 6.90 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 21 L 8.07 3.89 0.00 1.58 1.73 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.54 3.32 0.00 1.85 1.56 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 R 6.26 4.10 0.00 2.01 1.38 0.00 3.38 0.00 0.00 3.19 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 24 E 8.43 3.36 0.00 2.16 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 25 Q 8.55 4.17 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 26 F 8.27 4.47 0.00 3.12 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 27 N 8.19 4.33 0.00 2.86 2.89 0.00 0.00 7.03 6.74 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 28 L 8.29 4.15 0.00 1.80 1.70 0.92 0.72 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 29 R 7.65 3.74 0.00 1.94 1.67 0.00 3.07 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 30 M 7.71 3.79 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.37 0.00 31 Q 9.21 4.02 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 32 A 8.46 4.02 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 33 A 8.18 4.09 1.28 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 0.00 0.00 0.00 34 S 7.98 4.68 0.00 4.05 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 35 G 7.88 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 36 Q 7.41 4.27 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.13 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 37 L 8.45 3.63 0.00 1.79 1.66 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.73 4.03 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 39 Q 7.77 4.43 0.00 2.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 40 S 8.61 4.19 0.00 4.03 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 41 H 7.78 4.09 0.00 3.41 3.63 0.00 5.30 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.39 3.72 0.00 1.76 1.67 0.72 0.75 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 43 L 7.46 3.84 0.00 1.77 1.66 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.83 3.49 0.00 1.82 1.88 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 45 Q 6.63 4.20 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 5.48 0.00 0.00 0.00 0.00 0.00 2.60 2.29 0.00 46 V 8.21 3.60 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 0.92 0.00 0.00 47 R 8.15 3.89 0.00 2.31 2.04 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 48 R 8.11 3.99 0.00 1.88 1.95 0.00 3.35 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 49 D 8.09 4.32 0.00 2.84 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 50 V 8.40 3.54 2.37 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 1.01 0.00 0.00 0.96 0.00 0.00 51 A 7.66 3.99 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 52 R 7.92 3.85 0.00 1.98 1.99 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 53 V 7.91 3.56 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 1.00 0.00 0.00 54 K 7.90 4.19 0.00 1.89 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.68 7.81 55 T 8.49 3.97 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 1.21 0.00 0.00 56 L 7.33 3.99 0.00 1.77 1.69 1.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.99 4.18 0.00 1.98 2.11 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.54 4.76 0.00 2.75 2.84 0.00 0.00 6.98 7.33 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 59 E 7.90 4.64 0.00 2.03 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 2.23 2.34 0.00 60 K 8.27 3.99 0.00 1.74 1.94 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 61 A 7.83 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.05 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 0.00 0.00 0.00 63 A 7.83 4.23 1.23 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 0.00 0.00 0.00