NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7022 8.0501 120.3681 62.7021 32.3695 174.4413 2 A 4.1651 7.1726 127.1984 48.2186 21.0308 176.5847 3 Y 4.0197 7.7285 117.9630 59.8020 39.5559 176.1628 4 W 4.4025 6.9648 117.6023 59.0789 28.5816 176.5581 5 R 4.6250 6.3423 116.8302 55.8339 30.1442 177.5068 6 Q 3.9824 8.6041 120.4383 56.9185 28.9843 173.7390 7 A 4.3980 8.3366 118.1755 51.9381 19.2542 177.5533 8 G 4.1062 8.2755 104.3896 45.1766 0.0000 174.5081 9 L 4.2949 7.9457 119.7992 54.5943 42.3455 176.3623 10 S 4.9788 8.2740 116.1495 56.8713 66.9894 174.4435 11 Y 3.4922 8.4569 120.9425 60.5958 38.4313 177.0850 12 I 3.6081 7.8062 120.3671 64.4816 37.2801 178.1788 13 R 3.9704 7.4752 119.0949 59.2462 29.8228 178.0788 14 Y 3.5224 7.0963 119.5578 60.5421 38.7346 177.6030 15 S 3.7848 7.8051 114.3567 61.1980 62.3277 175.6236 16 Q 3.7971 8.0943 122.5026 59.3627 28.7614 178.5496 17 I 3.5612 7.3559 120.1081 64.5652 37.3096 178.2191 18 C 3.8555 7.9417 117.5006 62.7734 27.7996 176.1479 19 A 3.9396 8.3241 122.5616 54.9371 17.9201 179.6246 20 K 3.8291 8.1401 117.9865 59.3225 32.1164 178.7075 21 A 3.9180 7.9587 121.1349 55.4673 18.1087 179.6078 22 V 3.5189 7.3158 114.5017 66.3418 31.6148 178.2455 23 R 4.0271 7.6265 117.7353 59.4262 29.8442 178.6908 24 D 4.4258 8.0856 117.0794 56.4848 40.7808 177.7157 25 A 4.6204 7.2348 120.0634 52.9794 19.8372 177.0004 26 L 4.5909 8.0082 122.2691 54.5818 44.3307 175.7769 27 K 4.5431 8.3211 116.7390 55.6399 35.2127 174.5027 28 T 4.0591 8.6911 119.4446 66.0434 67.9426 173.7451 29 E 5.9800 7.7883 135.0000 57.2714 29.1980 177.4392 30 F 4.8847 7.7656 113.3117 56.3526 41.9054 175.9476 31 K 4.1602 8.2643 120.9832 58.3367 31.9990 178.3244 32 A 3.9742 7.8873 121.0329 55.6385 18.3766 179.0085 33 N 4.2692 8.3643 114.0711 56.3520 38.2704 176.9223 34 A 4.0077 7.4426 120.5756 55.7381 18.5576 179.3623 35 M 4.2276 8.1454 116.7546 58.3101 31.8318 179.7873 36 K 4.3465 7.4526 114.5392 56.6341 31.4676 176.5965 37 T 4.2572 8.6548 116.2273 64.4548 73.0005 172.5771 38 S 3.6364 8.7739 113.3847 59.8291 61.8079 171.9481 39 G 3.9251 7.6446 108.4178 47.5381 0.0000 174.2850 40 S 4.5548 8.2804 114.4191 59.4291 64.2084 176.2959 41 T 3.9814 8.5832 118.9760 67.7332 68.2424 174.3495 42 I 3.5642 7.1991 119.1455 60.5797 37.8796 174.9235 43 K 4.6067 8.2068 124.1464 54.4262 35.1031 175.8115 44 I 4.0614 8.2400 126.3591 61.2798 37.8321 176.4960 45 V 4.2666 7.9608 123.2509 60.4856 31.3930 172.4752 46 K 4.4721 8.1473 121.1718 54.6469 33.9561 177.6360 47 V 3.9766 8.1035 122.7073 63.0062 31.6521 174.2498 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 V 8.05 3.70 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 0.77 0.00 0.00 0.84 0.00 0.00 2 A 7.17 4.17 -0.12 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 3 Y 7.73 4.02 0.00 3.09 3.08 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 4 W 6.96 4.40 0.00 3.59 3.37 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 5 R 6.34 4.63 0.00 1.40 1.72 0.00 3.35 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.12 0.00 6 Q 8.60 3.98 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 7 A 8.34 4.40 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 9 L 7.95 4.29 0.00 2.20 1.78 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.27 4.98 0.00 4.13 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 11 Y 8.46 3.49 0.00 3.18 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 12 I 7.81 3.61 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.87 0.00 0.00 13 R 7.48 3.97 0.00 1.92 2.09 0.00 3.08 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 14 Y 7.10 3.52 0.00 1.83 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 0.00 0.00 0.00 0.00 15 S 7.81 3.78 0.00 3.33 3.74 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 0.00 0.00 0.00 0.00 16 Q 8.09 3.80 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 17 I 7.36 3.56 1.70 0.00 0.00 0.79 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 0.73 0.77 0.00 0.00 18 C 7.94 3.86 0.00 2.72 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 19 A 8.32 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.14 3.83 0.00 1.79 1.88 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.42 7.81 21 A 7.96 3.92 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 22 V 7.32 3.52 2.17 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 0.83 0.00 0.00 0.93 0.00 0.00 23 R 7.63 4.03 0.00 2.05 1.95 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 24 D 8.09 4.43 0.00 2.75 2.74 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 0.00 0.00 0.00 0.00 25 A 7.23 4.62 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.59 0.00 1.74 1.73 0.95 0.81 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 27 K 8.32 4.54 0.00 1.94 1.91 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.73 7.81 28 T 8.69 4.06 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 1.19 0.00 0.00 29 E 7.79 5.98 0.00 1.87 1.68 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 1.47 1.74 0.00 30 F 7.77 4.88 0.00 3.05 2.97 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 0.00 0.00 0.00 31 K 8.26 4.16 0.00 1.91 1.82 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.57 7.81 32 A 7.89 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.36 4.27 0.00 2.79 2.93 0.00 0.00 6.87 7.54 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 34 A 7.44 4.01 1.39 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 35 M 8.15 4.23 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 36 K 7.45 4.35 0.00 1.79 1.83 0.00 1.74 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 1.47 1.41 7.81 37 T 8.65 4.26 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 38 S 8.77 3.64 0.00 4.04 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 39 G 7.64 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 40 S 8.28 4.55 0.00 3.92 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 41 T 8.58 3.98 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 42 I 7.20 3.56 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 1.30 0.72 0.91 0.00 0.00 43 K 8.21 4.61 0.00 1.63 1.62 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.48 7.81 44 I 8.24 4.06 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 1.30 0.92 0.91 0.00 0.00 45 V 7.96 4.27 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 0.86 0.00 0.00 0.93 0.00 0.00 46 K 8.15 4.47 0.00 1.90 1.81 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 47 V 8.10 3.98 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 0.79 0.00 0.00 0.93 0.00 0.00