NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9621 8.2127 109.7403 45.3549 0.0000 174.1867 2 I 3.2419 8.4438 118.3136 63.3436 37.6773 173.3944 3 V 3.4928 8.4559 119.8438 66.3191 30.7348 177.1718 4 E 3.9455 8.2809 117.8377 58.8778 29.0220 178.5669 5 Q 4.4868 8.0770 116.0749 57.1321 29.4973 176.2960 6 C 4.6728 8.5153 117.8555 56.8838 40.7979 174.6050 7 C 4.3146 8.1708 118.6067 62.6979 28.4654 175.3324 8 T 3.7199 7.0468 105.6064 63.8471 68.6989 173.6304 9 S 4.6876 7.6121 114.3957 55.0688 66.6932 173.3308 10 I 3.8842 8.1637 121.9897 60.8963 36.9641 177.1809 11 C 4.5103 8.5459 123.4234 56.6805 38.0033 174.2686 12 S 4.4721 8.3412 116.4234 57.7700 64.1039 174.9678 13 L 4.2135 7.9172 124.2785 56.1673 41.4593 178.6778 14 Y 4.5116 7.8091 118.5099 60.9615 37.9738 177.2273 15 Q 4.0604 8.2314 119.9805 59.4802 29.1644 178.3611 16 L 4.3087 8.0231 119.7982 57.9684 41.6265 179.1195 17 E 4.0463 8.0356 119.1058 59.3343 29.3384 178.4484 18 N 4.4015 7.8777 115.0166 55.5339 38.6034 175.8325 19 Y 4.4281 7.6587 116.5153 57.8460 38.8081 175.7282 20 C 4.3902 7.4022 118.2364 59.2950 28.9535 173.4816 21 N 4.5151 8.7457 118.9845 53.8670 38.0705 175.0347 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 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.24 1.04 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.69 0.00 0.00 3 V 8.46 3.49 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 1.06 0.00 0.00 0.88 0.00 0.00 4 E 8.28 3.95 0.00 2.10 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 2.44 0.00 5 Q 8.08 4.49 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 6 C 8.52 4.67 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.31 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.05 3.72 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 9 S 7.61 4.69 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.88 1.87 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 1.41 0.80 0.90 0.00 0.00 11 C 8.55 4.51 0.00 2.99 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 12 S 8.34 4.47 0.00 3.87 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 13 L 7.92 4.21 0.00 1.39 1.60 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.81 4.51 0.00 3.02 2.90 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 0.00 0.00 0.00 15 Q 8.23 4.06 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 16 L 8.02 4.31 0.00 1.85 1.78 0.97 0.86 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 8.04 4.05 0.00 2.21 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 2.37 2.59 0.00 18 N 7.88 4.40 0.00 2.60 2.63 0.00 0.00 7.02 8.79 0.00 0.00 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 7.66 4.43 0.00 3.11 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 20 C 7.40 4.39 0.00 3.07 2.90 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 0.00 0.00 0.00 21 N 8.75 4.52 0.00 2.73 2.76 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