NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0259 8.3544 109.7088 47.4522 0.0000 176.1488 2 M 3.5731 7.5212 120.2475 54.7739 33.3125 172.4109 3 E 4.7666 8.9647 119.7986 54.3391 33.9111 173.7075 4 R 5.1911 8.7256 124.5966 54.7516 34.1078 174.6677 5 G 4.6517 9.0459 107.3949 45.2561 0.0000 171.3992 6 I 5.0787 8.5924 120.1583 58.9738 40.5671 175.8189 7 V 4.2472 9.0454 127.9169 63.4400 32.0389 176.2261 8 Q 4.5064 9.2308 125.3865 56.1993 30.5426 175.2429 9 Y 4.6578 7.5566 114.6466 55.7343 42.0758 174.8300 10 D 4.7754 8.6647 121.9645 54.7160 42.0760 175.8296 11 F 4.9898 9.4573 124.7755 57.1096 43.1194 172.4225 12 M 4.6442 8.1298 125.8649 53.1497 33.5990 175.3558 13 A 3.9807 8.4176 129.8869 52.8668 18.9051 176.7992 14 E 4.5055 9.5548 122.1027 56.2307 31.4716 175.8995 15 S 4.7656 7.7527 112.3076 55.7824 66.3997 174.6037 16 Q 3.9834 8.7479 118.8077 59.0633 28.2469 177.1929 17 D 4.6179 7.9927 115.7093 53.3190 39.9995 175.3569 18 E 5.2171 7.7654 119.6431 55.2634 31.8795 175.0016 19 L 4.8785 8.6672 122.6847 53.6434 44.6323 176.0890 20 T 4.6712 8.7547 123.5408 63.5215 69.2463 173.9737 21 I 4.9043 9.4096 118.9523 59.3058 41.8692 174.0467 22 K 5.0687 9.2672 122.3198 54.1581 35.6942 175.8838 23 S 4.1669 9.1780 118.2952 60.4636 62.5753 174.8859 24 G 4.0041 9.0285 116.3952 45.1649 0.0000 173.5587 25 D 4.5527 8.0076 120.2355 54.3472 42.2127 175.6219 26 K 4.8557 8.5410 121.5342 55.6177 34.0319 176.1183 27 V 4.8468 8.6858 116.7092 59.8025 36.4206 173.9966 28 Y 4.9894 8.8454 120.2855 57.1703 39.8942 175.3300 29 I 4.4620 8.8336 125.4200 60.2761 36.9624 175.5206 30 L 4.2301 8.9061 128.9718 57.0897 42.9077 177.3330 31 D 4.3755 7.9066 119.3100 53.2359 43.5547 174.9153 32 D 4.2558 8.3282 124.6418 52.7437 39.6680 176.8871 33 K 4.2681 8.2204 120.7467 58.2220 32.8414 178.2631 34 K 4.2395 8.1761 117.2882 58.3840 32.5104 177.1452 35 S 4.7257 7.7379 111.2877 56.7105 65.2397 173.7732 36 K 4.4141 8.8021 125.4728 58.0918 32.5698 177.2232 37 D 4.3633 8.0436 118.3474 54.6251 43.0108 176.4065 38 W 5.2088 8.3956 117.6165 54.5648 32.1408 175.2153 39 W 5.2731 9.2046 125.0701 54.9886 31.8264 174.7619 40 M 4.8215 8.7874 124.3654 55.7872 32.8515 174.8907 41 C 5.6286 9.5163 123.0319 58.1590 33.6564 172.6022 42 Q 4.9965 9.1299 120.4925 54.3257 32.3588 174.0403 43 L 4.4707 9.1326 127.4045 54.9103 42.1737 177.9118 44 V 3.3982 8.3048 125.0816 66.5257 31.2958 177.3154 45 D 4.5204 8.2525 118.6268 57.1340 40.9657 177.6743 46 S 4.2995 8.1031 111.5621 58.5074 63.7418 175.3239 47 G 4.0240 8.4314 107.9656 45.0714 0.0000 173.6431 48 K 4.4034 7.8659 120.0885 56.3913 33.0694 176.3126 49 S 5.2130 9.3251 117.7146 56.2267 66.5727 173.7780 50 G 4.0467 8.0561 106.4351 46.6921 0.0000 170.9084 51 L 5.2121 8.2785 120.2514 54.5473 43.0331 177.0821 52 V 4.7413 9.0037 115.1529 58.6916 36.9581 173.2833 53 P 3.4540 0.0000 0.0000 61.9499 31.5880 177.3643 54 A 2.5800 7.8603 127.5141 54.7665 18.0625 179.3171 55 Q 3.8425 7.0789 110.8066 57.8962 28.8839 176.6607 56 F 4.9152 7.7506 117.4075 57.9437 39.4722 174.6745 57 I 4.8730 7.6239 122.7927 59.4526 39.1482 174.9454 58 E 4.4967 9.0280 129.8170 54.0497 30.4203 173.5663 59 P 4.8281 0.0000 0.0000 62.7761 32.2821 177.1166 60 V 3.9085 8.4104 116.1697 61.7150 31.1038 176.1573 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 G 8.35 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 0.00 0.00 0.00 2 M 7.52 3.57 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 3 E 8.96 4.77 0.00 1.97 1.70 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 2.23 2.17 0.00 4 R 8.73 5.19 0.00 1.80 1.77 0.00 3.18 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 5 G 9.05 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 5.08 1.88 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 1.11 0.76 0.90 0.00 0.00 7 V 9.05 4.25 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 1.12 0.00 0.00 1.03 0.00 0.00 8 Q 9.23 4.51 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.45 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 9 Y 7.56 4.66 0.00 1.43 2.13 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 0.00 10 D 8.66 4.78 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.46 4.99 0.00 3.45 3.09 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 0.00 0.00 0.00 0.00 12 M 8.13 4.64 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 13 A 8.42 3.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.55 4.51 0.00 1.90 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 2.34 2.36 0.00 15 S 7.75 4.77 0.00 3.89 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 16 Q 8.75 3.98 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 17 D 7.99 4.62 0.00 2.88 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 18 E 7.77 5.22 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 19 L 8.67 4.88 0.00 1.81 1.70 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.75 4.67 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 21 I 9.41 4.90 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.16 1.13 0.00 0.00 22 K 9.27 5.07 0.00 1.74 1.71 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.50 7.81 23 S 9.18 4.17 0.00 3.68 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 24 G 9.03 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 25 D 8.01 4.55 0.00 2.74 2.62 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 26 K 8.54 4.86 0.00 1.62 1.60 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 27 V 8.69 4.85 2.21 0.00 0.00 0.00 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 1.02 0.00 0.00 28 Y 8.85 4.99 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.83 4.46 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.56 0.00 0.00 30 L 8.91 4.23 0.00 1.67 1.73 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.91 4.38 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.33 4.26 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 33 K 8.22 4.27 0.00 1.84 1.88 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.31 7.81 34 K 8.18 4.24 0.00 1.80 1.91 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.50 7.81 35 S 7.74 4.73 0.00 3.91 4.10 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 0.00 0.00 0.00 36 K 8.80 4.41 0.00 1.80 1.85 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 37 D 8.04 4.36 0.00 2.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.40 5.21 0.00 3.10 3.03 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 39 W 9.20 5.27 0.00 3.19 2.99 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 40 M 8.79 4.82 0.00 2.25 2.01 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 2.66 2.61 0.00 41 C 9.52 5.63 0.00 2.99 2.95 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 42 Q 9.13 5.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 43 L 9.13 4.47 0.00 1.67 1.62 1.01 0.65 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 44 V 8.30 3.40 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 0.63 0.00 0.00 0.23 0.00 0.00 45 D 8.25 4.52 0.00 2.71 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 46 S 8.10 4.30 0.00 4.00 4.01 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 47 G 8.43 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 48 K 7.87 4.40 0.00 1.82 1.79 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.43 7.81 49 S 9.33 5.21 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.06 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 51 L 8.28 5.21 0.00 1.63 1.75 0.80 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 V 9.00 4.74 2.02 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 1.00 0.00 0.00 1.10 0.00 0.00 53 P 0.00 3.45 0.00 0.49 0.52 0.00 2.77 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.53 0.00 54 A 7.86 2.58 -0.19 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 55 Q 7.08 3.84 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.88 0.00 0.00 0.00 0.00 0.00 1.63 2.15 0.00 56 F 7.75 4.92 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.87 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.07 1.21 0.00 0.00 58 E 9.03 4.50 0.00 2.09 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 2.29 2.32 0.00 59 P 0.00 4.83 0.00 2.05 2.35 0.00 3.86 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 60 V 8.41 3.91 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 0.62 0.00 0.00 1.02 0.00 0.00