NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 L 4.2896 8.1849 122.4954 54.2108 44.1783 176.4492 46 S 4.7105 7.5193 112.7790 54.8632 66.6674 172.2321 47 P 4.2073 0.0000 0.0000 66.2673 31.7698 178.3746 48 D 4.7254 8.1340 118.1669 56.5814 40.4052 178.3589 49 D 4.4301 8.0385 118.2647 57.6061 41.5115 178.2169 50 I 3.5397 7.7197 119.5857 64.0564 36.7940 178.1172 51 E 4.2831 8.1767 119.4737 59.4630 29.2190 179.2026 52 Q 4.2558 8.1895 118.3733 58.7603 28.4907 178.7239 53 W 4.1772 8.2234 119.2543 59.8200 29.0793 178.0039 54 F 4.3911 8.3556 116.7268 60.1178 38.5446 177.9281 55 T 4.0581 8.0498 114.5733 66.7950 68.9568 174.9566 56 E 3.4237 8.7984 118.8405 57.0143 30.4785 172.5374 57 D 4.7840 8.0307 114.9570 51.8037 44.4183 174.2484 58 P 4.4199 0.0000 0.0000 63.1099 31.3763 176.0537 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 45 L 8.18 4.29 0.00 1.64 1.78 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.52 4.71 0.00 3.97 3.71 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 47 P 0.00 4.21 0.00 2.14 2.10 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 48 D 8.13 4.73 0.00 2.71 2.76 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 49 D 8.04 4.43 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.72 3.54 1.91 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.63 0.00 0.00 51 E 8.18 4.28 0.00 2.33 2.07 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 2.31 2.62 0.00 52 Q 8.19 4.26 0.00 2.41 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 53 W 8.22 4.18 0.00 3.17 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.36 4.39 0.00 3.20 3.17 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 55 T 8.05 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 1.25 0.00 0.00 56 E 8.80 3.42 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 57 D 8.03 4.78 0.00 2.62 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.42 0.00 2.21 2.02 0.00 3.84 0.00 0.00 3.69 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