NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4255 8.3044 120.3158 53.3754 34.2351 176.8104 2 D 4.9697 7.1328 120.4979 54.2969 43.7030 174.3374 3 I 4.6079 7.5501 119.9626 60.0155 40.9519 175.0402 4 Y 4.9643 8.4634 121.7302 56.2762 41.8898 174.5641 5 V 4.7057 8.2865 123.0780 59.8561 35.1822 174.4975 6 C 3.7964 8.5320 122.9747 59.2019 32.4314 173.9135 7 T 4.3106 7.7325 114.4361 61.9715 69.3237 176.0167 8 V 3.7899 7.6248 122.3232 65.1587 31.7890 174.9311 9 C 4.5323 7.7841 109.7237 59.4332 32.1607 173.2550 10 G 4.3178 7.6292 109.0725 45.4170 0.0000 174.4803 11 Y 4.5840 7.5515 118.6890 54.9236 39.6431 173.7814 12 E 4.1355 8.5271 124.2116 56.4431 29.8983 176.6508 13 Y 4.0886 10.0698 126.7312 59.7921 39.0558 174.9118 14 D 4.0700 8.2714 120.7946 53.8491 38.2603 171.9701 15 P 3.3726 0.0000 0.0000 65.3000 31.5318 178.9140 16 A 4.0426 7.6839 119.2577 54.0071 18.7042 178.1111 17 K 4.0836 8.5771 117.6139 56.8445 33.5601 179.1057 18 G 3.6193 7.2862 107.6524 46.1550 0.0000 173.3457 19 D 4.9237 8.2985 121.9597 52.4577 45.0388 174.0495 20 P 4.3203 0.0000 0.0000 64.9971 32.0477 176.1311 21 D 4.7533 8.3700 121.3350 53.6850 39.8849 176.3490 22 S 5.9251 9.1396 132.1000 58.7727 63.0855 177.8107 23 G 4.0233 8.4861 107.8697 46.2569 0.0000 173.1106 24 I 4.6323 7.2801 116.1443 59.3492 41.2118 176.2768 25 K 4.3514 8.3873 123.4266 54.1591 33.3148 174.8615 26 P 4.0758 0.0000 0.0000 66.8262 31.1074 176.9902 27 G 4.0728 8.6117 115.3434 46.6466 0.0000 171.8943 28 T 4.6274 7.0615 113.8256 61.1967 72.3503 175.0017 29 K 4.0698 8.4679 124.8177 56.6890 32.5579 177.6049 30 F 3.9520 8.8071 124.1316 59.2643 39.4147 175.2213 31 E 4.2071 7.7872 116.2635 57.7878 30.6432 176.3790 32 D 4.5240 7.4600 116.8981 54.3270 41.3058 176.7536 33 L 3.7777 7.2446 119.4340 53.7661 42.0119 174.9467 34 P 4.2387 0.0000 0.0000 63.1908 31.9287 175.4477 35 D 4.8421 8.4228 116.7173 54.4128 40.7727 177.1132 36 D 4.6961 7.7796 114.9397 54.0397 42.5818 174.6912 37 W 4.3780 8.1525 126.5552 56.6268 31.5071 175.1002 38 A 4.2069 6.8353 125.0683 50.2475 21.6466 174.5438 39 C 3.6915 8.7016 122.0334 58.8477 30.9887 173.1548 40 P 4.1736 0.0000 0.0000 63.7787 30.7664 178.1205 41 V 3.6642 7.0416 118.5833 64.1251 32.2097 176.0910 42 C 4.3527 9.1957 114.1073 60.3971 30.9501 173.4350 43 G 3.7891 8.8211 112.0581 44.8187 0.0000 173.4151 44 A 3.6316 7.2298 122.5480 50.1022 19.2872 177.3696 45 S 4.3440 8.4875 117.6990 58.3903 62.9158 172.9290 46 K 4.8738 8.4000 119.7178 57.3722 32.1048 176.6117 47 D 4.9816 8.3401 112.9428 53.5572 42.6665 176.0005 48 A 4.6724 8.1663 121.9747 52.7369 21.2545 177.7751 49 F 5.3825 8.9351 113.3555 57.2948 39.8062 175.1237 50 E 4.6291 8.7110 118.8008 54.4727 32.8135 172.6022 51 K 3.7781 9.0138 126.5514 55.6210 32.5801 175.9060 52 Q 3.5371 8.3170 126.9294 56.4414 30.0196 173.4018 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 4.43 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 D 7.13 4.97 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 4.61 1.76 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 1.46 0.44 0.92 0.00 0.00 4 Y 8.46 4.96 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 4.71 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 0.68 0.00 0.00 1.02 0.00 0.00 6 C 8.53 3.80 0.00 2.19 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 7 T 7.73 4.31 4.21 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 1.22 0.00 0.00 8 V 7.62 3.79 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 0.90 0.00 0.00 0.87 0.00 0.00 9 C 7.78 4.53 0.00 3.10 2.94 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 10 G 7.63 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.58 0.00 2.99 3.02 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 12 E 8.53 4.14 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 13 Y 10.07 4.09 0.00 2.99 3.26 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 14 D 8.27 4.07 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.37 0.00 2.13 2.26 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 16 A 7.68 4.04 1.22 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 0.00 0.00 17 K 8.58 4.08 0.00 1.54 1.89 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.37 7.81 18 G 7.29 3.62 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 0.00 0.00 0.00 19 D 8.30 4.92 0.00 2.88 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 20 P 0.00 4.32 0.00 2.22 2.21 0.00 3.88 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 2.02 2.05 0.00 21 D 8.37 4.75 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 22 S 9.14 5.93 0.00 4.15 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 23 G 8.49 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 24 I 7.28 4.63 2.19 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.91 0.00 0.00 25 K 8.39 4.35 0.00 1.71 1.72 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.48 7.81 26 P 0.00 4.08 0.00 2.15 2.10 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 27 G 8.61 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.06 4.63 4.25 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 0.00 0.00 0.00 1.16 0.00 0.00 29 K 8.47 4.07 0.00 1.96 1.74 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.44 7.81 30 F 8.81 3.95 0.00 2.54 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 31 E 7.79 4.21 0.00 2.04 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 0.00 2.19 2.25 0.00 32 D 7.46 4.52 0.00 2.74 2.68 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 0.00 0.00 0.00 33 L 7.24 3.78 0.00 0.96 0.98 -0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.24 0.00 2.12 2.07 0.00 3.43 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 35 D 8.42 4.84 0.00 2.64 2.65 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 36 D 7.78 4.70 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.15 4.38 0.00 3.14 2.88 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 38 A 6.84 4.21 1.06 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 39 C 8.70 3.69 0.00 3.21 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 1.89 1.92 0.00 3.59 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.54 0.00 41 V 7.04 3.66 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 0.88 0.00 0.00 0.25 0.00 0.00 42 C 9.20 4.35 0.00 3.07 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 43 G 8.82 3.79 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 0.00 0.00 0.00 44 A 7.23 3.63 1.22 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 0.00 0.00 45 S 8.49 4.34 0.00 3.87 3.90 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 46 K 8.40 4.87 0.00 1.92 1.81 0.00 0.73 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.36 7.81 47 D 8.34 4.98 0.00 2.73 2.68 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 0.00 0.00 0.00 48 A 8.17 4.67 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.94 5.38 0.00 3.19 3.16 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 0.00 0.00 0.00 0.00 50 E 8.71 4.63 0.00 1.99 2.05 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 2.28 2.31 0.00 51 K 9.01 3.78 0.00 1.30 1.66 0.00 1.61 0.00 0.00 2.16 0.00 0.00 2.54 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 0.76 7.81 52 Q 8.32 3.54 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.39 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00