NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9274 8.3549 109.7252 43.8719 0.0000 175.9070 2 I 4.7035 7.3093 131.8031 61.1355 36.9630 171.1472 3 V 3.8925 7.8922 119.8370 65.5013 32.5609 177.1534 4 E 3.6157 8.0137 115.5882 57.9180 29.4017 177.9943 5 Q 4.3718 7.9309 116.6210 57.1695 29.7520 176.5948 6 C 5.5497 7.6209 114.5332 57.7639 42.3624 175.8297 7 C 3.9603 8.2139 118.4143 62.0526 31.2138 173.8265 8 H 4.6423 8.1807 114.6907 56.3724 29.4971 174.0244 9 S 4.5437 7.5887 112.7089 57.7577 65.6369 172.7541 10 I 4.7352 8.0813 120.4397 60.3479 39.0004 176.6085 11 C 5.1664 8.3729 122.0170 56.3088 41.3393 172.3514 12 S 4.4265 7.6387 113.6621 58.8849 67.3193 173.3500 13 L 4.3768 7.1384 119.0838 55.0239 49.4817 176.7933 14 Y 4.4354 6.9780 115.1832 60.8864 38.0015 177.7406 15 Q 4.0703 7.9937 118.5089 58.3747 29.2192 177.0998 16 L 3.9361 7.5467 115.1780 54.6660 41.4967 177.1187 17 E 4.1218 7.2062 119.8980 57.6937 29.8551 176.7830 18 N 4.6125 7.3785 113.5401 54.1533 39.0619 174.6842 19 Y 4.9357 7.1254 115.3057 57.9993 38.3738 174.6308 20 C 4.7388 7.8554 119.1105 57.6525 33.7479 172.9610 21 N 4.5259 8.5867 121.6778 53.8284 38.5711 174.7701 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 8.35 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 0.00 0.00 0.00 2 I 7.31 4.70 1.59 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.02 0.83 0.00 0.00 3 V 7.89 3.89 2.06 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 1.33 0.00 0.00 0.92 0.00 0.00 4 E 8.01 3.62 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.17 0.00 5 Q 7.93 4.37 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.28 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 6 C 7.62 5.55 0.00 3.24 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 8.21 3.96 0.00 2.93 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 8 H 8.18 4.64 0.00 3.29 3.37 0.00 5.98 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.59 4.54 0.00 3.95 3.98 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 10 I 8.08 4.74 1.87 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 1.41 0.48 0.90 0.00 0.00 11 C 8.37 5.17 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.43 0.00 3.46 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 13 L 7.14 4.38 0.00 1.28 1.47 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.98 4.44 0.00 3.00 2.93 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 15 Q 7.99 4.07 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.13 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 16 L 7.55 3.94 0.00 1.57 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.21 4.12 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 18 N 7.38 4.61 0.00 2.79 2.86 0.00 0.00 6.83 7.41 0.00 0.00 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 7.13 4.94 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.74 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.53 0.00 2.72 2.69 0.00 0.00 6.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00