NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4542 8.1633 120.6011 55.3456 33.7250 174.2059 2 K 4.7089 8.5271 125.0398 53.9415 35.2806 170.9512 3 V 4.2103 9.4425 123.0543 61.9943 34.9097 174.4594 4 R 3.8999 8.9546 127.3835 58.8544 30.0659 176.3003 5 A 4.9378 7.5908 116.3941 49.5076 21.7697 173.9972 6 S 4.4748 8.8156 120.4985 56.5655 60.3982 172.0873 7 V 3.1559 6.7421 124.8842 63.8993 29.5579 175.7268 8 K 4.5327 7.9836 132.6136 58.7481 32.9542 178.6095 9 R 3.3504 8.2920 111.8448 58.0770 29.1274 176.0975 10 I 4.4720 7.7470 120.3790 62.6576 44.1806 175.7362 11 C 4.3910 8.1949 111.0709 55.7230 40.9140 173.8266 12 D 4.7574 9.0573 127.2169 55.3770 41.2365 174.7487 13 K 4.3748 7.6726 114.0782 55.9200 32.6104 176.9076 14 C 4.0217 8.0523 116.4637 57.8969 38.9728 173.3699 15 K 4.6526 8.9390 123.2373 54.8989 34.0347 176.4529 16 V 4.2846 8.4612 124.9238 60.8395 31.4427 174.1478 17 I 4.4615 8.6213 128.6225 59.8595 39.5240 174.8818 18 R 4.7334 8.6600 127.0777 55.3296 30.8325 176.8956 19 R 4.3138 8.5474 121.2029 55.2702 30.7931 174.6769 20 H 3.8125 9.2828 125.8399 57.3144 25.8056 177.4692 21 G 3.8425 8.0881 104.1674 46.5133 0.0000 172.9101 22 R 3.7406 8.0873 119.4652 56.5178 31.0095 176.5051 23 V 4.3515 8.6152 125.9185 62.2322 31.4610 172.9985 24 Y 5.3667 9.0518 123.5181 55.7588 41.8679 174.2913 25 V 5.3549 8.6836 124.5295 61.1467 33.5038 174.5303 26 I 4.8343 8.2126 128.0334 60.5143 39.8438 175.0484 27 C 4.9714 8.0879 120.8172 59.6300 31.5950 173.6559 28 E 4.5039 8.5692 116.3191 52.8776 29.1474 173.6479 29 N 4.8161 8.0028 120.4870 52.0814 41.4761 173.4007 30 P 3.8193 0.0000 0.0000 65.7531 31.2786 178.7729 31 K 3.9463 8.1797 117.0970 59.4996 31.9971 176.8819 32 H 4.6881 8.8801 115.1403 55.5525 28.5238 175.6502 33 K 4.0151 7.3349 119.9905 57.5476 30.3604 176.1619 34 Q 4.1889 8.6483 123.7377 54.5798 28.3266 173.2392 35 R 3.2196 8.6554 121.5783 53.3882 30.8594 176.4260 36 Q 5.4667 8.0594 127.1603 54.7394 28.4956 176.2197 37 G 3.8769 8.3887 112.1898 46.8195 0.0000 172.4764 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 8.16 4.45 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 2 K 8.53 4.71 0.00 1.79 1.62 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.43 7.81 3 V 9.44 4.21 2.28 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 0.87 0.00 0.00 0.88 0.00 0.00 4 R 8.95 3.90 0.00 1.84 2.02 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 5 A 7.59 4.94 1.19 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 0.00 0.00 0.00 6 S 8.82 4.47 0.00 3.91 4.22 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 7 V 6.74 3.16 2.26 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 0.89 0.00 0.00 0.85 0.00 0.00 8 K 7.98 4.53 0.00 1.85 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.55 7.81 9 R 8.29 3.35 0.00 1.88 2.03 0.00 3.25 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 10 I 7.75 4.47 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.93 0.00 0.00 11 C 8.19 4.39 0.00 2.77 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 0.00 0.00 0.00 12 D 9.06 4.76 0.00 2.74 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 13 K 7.67 4.37 0.00 1.75 1.80 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.37 7.81 14 C 8.05 4.02 0.00 2.95 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 15 K 8.94 4.65 0.00 1.92 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.50 7.81 16 V 8.46 4.28 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 0.72 0.00 0.00 0.96 0.00 0.00 17 I 8.62 4.46 2.07 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 1.25 0.73 0.95 0.00 0.00 18 R 8.66 4.73 0.00 1.70 1.89 0.00 3.16 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 19 R 8.55 4.31 0.00 1.74 1.88 0.00 2.21 0.00 0.00 2.51 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 20 H 9.28 3.81 0.00 3.29 3.34 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.09 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 22 R 8.09 3.74 0.00 1.61 0.96 0.00 2.54 0.00 0.00 2.85 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.29 0.00 23 V 8.62 4.35 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 1.03 0.00 0.00 1.06 0.00 0.00 24 Y 9.05 5.37 0.00 2.89 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 25 V 8.68 5.35 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 1.15 0.00 0.00 1.06 0.00 0.00 26 I 8.21 4.83 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.57 0.93 0.00 0.00 27 C 8.09 4.97 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.50 0.00 1.88 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 2.19 2.27 0.00 29 N 8.00 4.82 0.00 2.71 2.95 0.00 0.00 6.70 8.03 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 30 P 0.00 3.82 0.00 2.21 2.35 0.00 3.73 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 2.09 2.03 0.00 31 K 8.18 3.95 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.43 7.81 32 H 8.88 4.69 0.00 3.09 3.31 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.33 4.02 0.00 1.87 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.72 1.55 7.81 34 Q 8.65 4.19 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 35 R 8.66 3.22 0.00 1.44 0.97 0.00 3.31 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.00 0.00 36 Q 8.06 5.47 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.17 0.00 37 G 8.39 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00