NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5728 8.2048 119.6047 54.4181 33.5066 174.8721 2 R 3.7709 6.6903 114.9688 54.8703 34.8690 174.4665 3 Y 4.7606 7.9361 120.3954 57.4548 37.9244 174.2031 4 Y 4.4677 7.7467 117.6943 57.9972 39.4598 175.6133 5 E 4.4775 8.3147 119.6204 56.8401 29.8240 176.1871 6 S 5.2933 7.5224 110.7512 57.3925 64.4450 176.7753 7 S 4.9723 7.7181 115.7546 59.6517 64.0438 176.2907 8 L 5.0327 8.4256 123.9068 55.1297 42.4817 175.8882 9 K 4.6287 8.1597 112.4838 58.4154 33.7319 176.8118 10 S 3.4069 8.1491 110.3031 59.4175 60.6122 172.6069 11 Y 4.4723 7.5294 118.7323 56.2799 38.7544 174.2045 12 P 4.1643 0.0000 0.0000 65.7407 32.0385 175.9680 13 D 4.5231 7.9722 122.8792 53.7114 40.8548 176.3255 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 8.20 4.57 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 2 R 6.69 3.77 0.00 1.19 1.79 0.00 3.38 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.00 3 Y 7.94 4.76 0.00 3.02 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 4 Y 7.75 4.47 0.00 3.18 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 5 E 8.31 4.48 0.00 1.82 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 2.25 2.29 0.00 6 S 7.52 5.29 0.00 4.00 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 7 S 7.72 4.97 0.00 4.03 3.56 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 0.00 0.00 0.00 0.00 8 L 8.43 5.03 0.00 1.65 1.68 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.16 4.63 0.00 1.82 1.78 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.49 7.81 10 S 8.15 3.41 0.00 3.90 3.83 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 0.00 0.00 0.00 11 Y 7.53 4.47 0.00 3.05 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 12 P 0.00 4.16 0.00 2.17 2.15 0.00 3.82 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 1.99 1.97 0.00 13 D 7.97 4.52 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00