NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4261 8.2893 120.3265 53.1405 34.1351 174.5293 2 K 4.2661 8.7830 126.2905 60.5428 32.3926 173.4104 3 K 4.6537 6.7276 117.2393 54.8578 36.1796 176.5483 4 R 4.6978 7.9849 119.3075 54.7955 32.8301 175.0378 5 L 4.4335 7.8812 118.8062 54.5865 44.7929 174.1050 6 T 4.6044 8.4264 121.1054 61.6802 70.6441 173.5486 7 I 4.7569 8.0556 118.2150 59.2142 40.9677 174.1500 8 T 4.6737 8.1559 108.7412 60.0290 71.2803 173.0109 9 L 4.8778 8.1242 122.9737 52.0425 45.9389 176.9036 10 S 4.3136 8.3558 116.4706 58.2386 64.6259 175.1594 11 E 3.9372 8.9426 125.9813 59.7978 29.1613 179.8815 12 S 4.0667 8.0538 113.3144 61.5903 62.9851 176.4502 13 V 3.5258 7.7376 122.0720 65.3065 31.2726 177.0107 14 L 3.8454 8.1748 120.1195 58.8786 41.7390 178.1132 15 E 3.7318 8.6645 118.1846 60.0338 29.4967 178.3757 16 N 4.2074 8.8106 116.7369 56.7876 39.0708 176.6286 17 L 3.9072 8.3580 121.8233 58.3174 42.2274 178.5076 18 E 3.9383 8.5819 118.7028 60.1995 29.4754 178.7056 19 K 3.7592 8.3648 118.8203 60.2596 32.0217 178.1247 20 M 4.2965 9.1519 119.7865 57.7208 32.1901 178.8936 21 A 3.9545 8.6106 120.9131 55.2451 18.7077 179.4449 22 R 3.8618 8.3694 116.7381 59.8899 30.1101 179.0395 23 E 3.9950 8.3395 117.8115 59.5502 29.3166 178.6787 24 M 4.4126 8.1636 115.7697 54.6743 32.3748 176.6275 25 G 3.9289 7.7632 106.9356 46.4610 0.0000 173.5726 26 L 4.7903 7.6270 118.2855 52.0874 44.5579 177.4619 27 S 4.4262 8.2225 116.0385 57.7326 65.2098 175.4572 28 K 3.8485 8.5287 121.9324 59.9696 31.8584 179.3960 29 S 4.1017 8.1989 114.4254 61.6942 62.7203 176.6354 30 A 3.9328 7.9866 122.9732 55.3565 18.1335 178.8918 31 M 3.8439 8.4145 117.0327 59.1565 32.1743 178.3767 32 I 3.6738 7.8578 119.3843 64.6742 37.3597 178.4217 33 S 4.1293 8.0778 115.7188 61.7968 62.6070 176.7454 34 V 3.5194 8.2830 120.8219 65.9500 30.9812 177.4896 35 A 4.0362 8.3685 120.5320 55.4809 18.2226 179.3317 36 L 4.3758 8.2979 117.3464 58.1687 41.7206 179.2398 37 E 3.9357 8.6237 118.5220 59.8233 29.5263 178.9180 38 N 4.2299 8.8566 116.7772 57.0978 39.1370 175.7599 39 Y 4.0877 9.0463 121.5944 61.4137 38.9364 177.6802 40 K 3.8751 8.9158 120.6079 58.9068 31.9435 178.3372 41 K 4.3259 7.8277 122.6637 60.1982 32.5051 178.0953 42 G 3.4764 8.3393 103.8946 46.9726 0.0000 175.5901 43 Q 3.6906 7.5638 123.0290 57.7852 29.8891 178.1597 44 E 4.2290 8.0853 123.8999 56.7907 29.3984 176.7150 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 8.29 4.43 0.00 2.02 2.15 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 2.54 0.00 2 K 8.78 4.27 0.00 2.04 2.00 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.18 1.49 7.81 3 K 6.73 4.65 0.00 1.92 1.89 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.46 7.81 4 R 7.98 4.70 0.00 1.79 1.85 0.00 3.24 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 5 L 7.88 4.43 0.00 1.55 1.47 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.43 4.60 4.23 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 1.21 0.00 0.00 7 I 8.06 4.76 1.86 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 1.46 0.65 0.90 0.00 0.00 8 T 8.16 4.67 4.23 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 1.20 0.00 0.00 9 L 8.12 4.88 0.00 1.58 1.54 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.36 4.31 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 3.94 0.00 2.00 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 2.41 2.40 0.00 12 S 8.05 4.07 0.00 4.04 4.13 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 13 V 7.74 3.53 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 0.90 0.00 0.00 0.92 0.00 0.00 14 L 8.17 3.85 0.00 1.77 1.84 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.66 3.73 0.00 2.41 2.04 0.00 0.00 0.00 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 2.36 0.00 16 N 8.81 4.21 0.00 2.85 2.96 0.00 0.00 6.99 7.03 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 17 L 8.36 3.91 0.00 1.79 1.81 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.58 3.94 0.00 2.16 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 2.34 2.34 0.00 19 K 8.36 3.76 0.00 1.80 1.92 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.50 7.81 20 M 9.15 4.30 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.45 0.00 21 A 8.61 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.86 0.00 2.09 2.02 0.00 3.14 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 23 E 8.34 4.00 0.00 2.01 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 2.33 2.56 0.00 24 M 8.16 4.41 0.00 1.99 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 25 G 7.76 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 26 L 7.63 4.79 0.00 1.63 1.56 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.22 4.43 0.00 4.04 3.99 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 28 K 8.53 3.85 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.54 7.81 29 S 8.20 4.10 0.00 3.86 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 30 A 7.99 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.41 3.84 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 32 I 7.86 3.67 2.04 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 1.51 0.63 0.90 0.00 0.00 33 S 8.08 4.13 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 34 V 8.28 3.52 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 35 A 8.37 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.38 0.00 1.89 1.76 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.62 3.94 0.00 2.21 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 2.49 2.51 0.00 38 N 8.86 4.23 0.00 2.79 3.11 0.00 0.00 6.93 8.22 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 39 Y 9.05 4.09 0.00 3.01 3.19 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 40 K 8.92 3.88 0.00 1.94 1.98 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 41 K 7.83 4.33 0.00 1.77 1.97 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 42 G 8.34 3.48 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 0.00 43 Q 7.56 3.69 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 44 E 8.09 4.23 0.00 2.19 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 2.32 2.53 0.00