NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2473 8.2544 119.7070 56.0381 32.2569 176.3880 2 C 4.3924 8.0806 117.7461 55.5801 44.0585 171.9670 3 C 4.9469 9.0447 123.0368 56.6575 36.4777 172.4140 4 H 5.0021 7.8147 119.4430 53.3503 32.5782 172.3837 5 P 4.2482 0.0000 0.0000 65.8399 31.4430 178.4532 6 Q 4.0137 8.4455 118.2089 59.0366 29.0988 175.3071 7 C 4.6145 8.0565 110.7562 55.3808 41.5984 173.7012 8 G 3.7626 8.0522 106.5622 46.3965 0.0000 174.1902 9 A 4.0160 8.0805 121.4735 52.5194 18.9042 178.1115 10 V 4.0589 8.4883 120.9969 63.9932 32.9415 175.7499 11 E 4.5792 7.8282 116.5331 54.7793 31.5467 174.5975 12 E 4.5766 8.3190 119.0321 55.3730 31.2049 177.3716 13 C 4.4584 8.5974 118.2618 57.2285 41.5034 173.7437 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 R 8.25 4.25 0.00 1.82 2.06 0.00 3.17 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 2 C 8.08 4.39 0.00 3.02 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 3 C 9.04 4.95 0.00 2.97 3.05 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 4 H 7.81 5.00 0.00 3.11 3.08 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.25 0.00 2.16 2.07 0.00 2.98 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 6 Q 8.45 4.01 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.53 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 7 C 8.06 4.61 0.00 3.09 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 8 G 8.05 3.76 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 0.00 0.00 0.00 9 A 8.08 4.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 4.06 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 0.86 0.00 0.00 0.99 0.00 0.00 11 E 7.83 4.58 0.00 1.98 1.86 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 2.23 2.30 0.00 12 E 8.32 4.58 0.00 1.94 1.86 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 2.23 2.30 0.00 13 C 8.60 4.46 0.00 2.95 2.98 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 0.00 0.00 0.00