NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9821 8.2127 109.7417 45.5499 0.0000 173.6304 2 I 3.2478 8.2271 117.6628 63.1285 37.6976 173.8851 3 V 3.5061 8.3911 120.0197 66.1180 31.7015 177.3738 4 E 4.0011 8.0171 116.6044 59.2820 29.4289 178.6153 5 Q 4.1742 8.3935 119.5036 58.3075 29.2838 176.3315 6 C 5.2222 8.2302 115.2282 55.6699 41.9194 174.7046 7 C 4.2490 8.4162 117.9634 60.3797 28.5637 174.8565 8 T 4.3485 7.7953 110.2008 62.1764 69.5443 174.5068 9 S 4.6275 6.9691 114.0388 56.6961 65.6264 173.6022 10 I 3.8166 8.2702 123.1371 61.7032 37.3699 176.2159 11 C 5.0095 8.5769 122.7917 55.2819 42.3288 174.6781 12 S 4.5274 9.3017 120.8481 57.6860 65.2066 175.2373 13 L 3.9657 8.3126 120.6887 57.7954 40.9503 179.3690 14 Y 4.0938 7.8157 115.9824 61.0745 38.3191 177.7900 15 Q 4.2133 8.1893 118.6145 59.0133 28.8255 178.7391 16 L 4.4263 8.3839 119.9264 57.3889 41.7328 178.9784 17 E 3.9479 8.2488 119.3864 58.8238 29.2284 177.9322 18 N 4.1351 7.7772 116.3396 56.5979 38.8744 175.2832 19 Y 4.4028 7.6784 115.2265 57.4329 38.5999 175.6284 20 C 4.4264 7.2447 117.8173 59.7032 29.0120 173.5055 21 N 4.5455 8.5410 117.7567 53.6778 38.3070 175.4102 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 3.98 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 0.00 0.00 0.00 2 I 8.23 3.25 1.12 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.70 0.00 0.00 3 V 8.39 3.51 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 1.07 0.00 0.00 0.88 0.00 0.00 4 E 8.02 4.00 0.00 1.99 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 2.31 2.36 0.00 5 Q 8.39 4.17 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 6 C 8.23 5.22 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.25 0.00 3.04 2.95 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 8 T 7.80 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 S 6.97 4.63 0.00 3.99 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 10 I 8.27 3.82 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.93 0.00 0.00 11 C 8.58 5.01 0.00 2.98 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 9.30 4.53 0.00 4.19 4.14 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 13 L 8.31 3.97 0.00 1.42 1.59 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.82 4.09 0.00 2.95 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.21 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.38 4.43 0.00 1.86 1.81 0.93 1.05 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 8.25 3.95 0.00 2.20 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 2.31 0.00 18 N 7.78 4.14 0.00 2.77 2.06 0.00 0.00 7.17 6.99 0.00 0.00 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 7.68 4.40 0.00 3.02 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 7.24 4.43 0.00 3.01 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 21 N 8.54 4.55 0.00 2.72 2.73 0.00 0.00 6.79 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