NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0046 8.2127 109.7449 45.2173 0.0000 173.8608 2 I 3.4345 8.1099 117.6150 63.1356 37.4955 172.8952 3 V 3.5425 8.4166 120.0933 65.9857 31.8527 177.2396 4 E 3.9469 8.1266 117.8457 59.5535 29.1573 179.0436 5 Q 4.1452 7.9569 116.5624 57.6220 29.0793 176.1337 6 C 4.9660 8.2319 114.6132 56.6442 42.7896 174.1891 7 C 4.4535 8.2144 118.3103 61.4331 32.0625 175.1818 8 T 4.0615 7.8205 114.4565 65.4228 68.3103 173.9594 9 S 4.7617 7.2954 113.6148 55.8935 66.2792 173.2420 10 I 3.8869 8.1150 121.3260 60.9159 37.1793 177.0730 11 C 4.6506 8.5905 125.5134 56.4927 45.6327 172.5170 12 S 4.8375 8.0835 115.5888 55.5785 66.8410 174.5882 13 L 3.9865 8.5173 124.0595 58.3743 41.6539 178.4030 14 Y 3.9785 8.0926 118.1481 61.0303 38.8989 177.9395 15 Q 4.2786 8.2434 118.3829 58.9571 28.8389 178.5762 16 L 4.2143 8.1831 120.0484 58.0663 41.7635 179.5030 17 E 3.9984 8.5711 118.5314 59.2677 29.0987 178.9818 18 N 4.2732 7.6760 115.6217 55.3513 38.5713 175.7841 19 Y 4.4675 7.5158 116.2549 57.2610 38.8427 175.6466 20 C 4.3991 7.2669 118.4005 59.3450 29.0006 173.4929 21 N 4.5255 8.6209 118.9462 53.7417 38.1216 175.1467 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 8.21 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 2 I 8.11 3.43 1.01 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.20 0.66 0.00 0.00 3 V 8.42 3.54 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 1.07 0.00 0.00 0.88 0.00 0.00 4 E 8.13 3.95 0.00 2.26 2.00 0.00 0.00 0.00 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 2.47 0.00 5 Q 7.96 4.15 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 6 C 8.23 4.97 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 7 C 8.21 4.45 0.00 2.89 3.06 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 8 T 7.82 4.06 4.43 0.00 0.00 0.00 0.00 0.00 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 9 S 7.30 4.76 0.00 4.05 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 3.89 1.88 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 0.54 0.92 0.00 0.00 11 C 8.59 4.65 0.00 3.11 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 12 S 8.08 4.84 0.00 4.08 3.92 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 0.00 0.00 0.00 0.00 13 L 8.52 3.99 0.00 1.82 1.77 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.09 3.98 0.00 3.02 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 15 Q 8.24 4.28 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 16 L 8.18 4.21 0.00 1.92 1.79 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.57 4.00 0.00 1.99 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 2.31 2.47 0.00 18 N 7.68 4.27 0.00 2.54 2.43 0.00 0.00 6.96 7.33 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 19 Y 7.52 4.47 0.00 3.12 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 20 C 7.27 4.40 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.62 4.53 0.00 2.71 2.73 0.00 0.00 6.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00