NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0568 8.1600 109.1433 45.1292 0.0000 174.4935 2 I 3.1719 8.2350 121.9132 62.9426 37.6112 173.1977 3 V 3.5031 8.3853 119.9486 66.1452 32.0031 177.3551 4 E 3.9742 8.0889 117.8154 59.2371 29.1246 178.7599 5 Q 4.2539 8.1775 118.8708 57.8287 29.2527 175.6495 6 C 5.1610 8.1461 113.7723 55.9020 41.2693 173.9007 7 C 4.5783 7.8889 116.3394 59.8585 28.3088 173.8810 8 T 4.4237 8.0200 115.2090 64.6032 70.6212 174.3262 9 S 4.8193 7.6109 116.4069 56.1606 65.2291 173.6236 10 I 3.7781 8.2526 125.4286 61.6207 37.3760 176.2532 11 C 4.9020 8.5876 123.2409 55.7707 40.6992 174.4719 12 S 4.5320 8.9465 119.6266 57.9638 64.9852 175.5378 13 L 4.0773 8.4718 122.1048 58.0139 41.0796 179.1219 14 Y 4.1230 8.0387 118.5134 60.8828 39.2076 177.7570 15 Q 4.1080 8.0794 118.5803 58.8681 28.8163 178.5589 16 L 4.3162 8.1570 119.9641 57.6479 41.6070 179.1814 17 E 3.9810 8.1073 118.2168 59.1309 29.0828 178.7227 18 N 4.3153 7.7855 115.0726 55.1067 38.4708 175.1373 19 Y 4.5381 7.6100 116.7402 57.7532 38.3242 175.5915 20 C 4.4950 7.6786 118.1361 59.0703 29.1706 173.5895 21 N 4.5326 8.5405 117.8474 53.7763 38.1929 175.3648 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 8.16 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.24 3.17 0.80 0.00 0.00 0.31 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 0.88 0.67 0.00 0.00 3 V 8.39 3.50 2.04 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.09 3.97 0.00 2.23 1.99 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 2.40 2.42 0.00 5 Q 8.18 4.25 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 6 C 8.15 5.16 0.00 2.96 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.58 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.42 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 7.61 4.82 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.78 1.88 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 0.47 0.93 0.00 0.00 11 C 8.59 4.90 0.00 2.99 3.07 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 0.00 0.00 0.00 12 S 8.95 4.53 0.00 4.14 4.06 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 0.00 0.00 0.00 0.00 13 L 8.47 4.08 0.00 1.78 1.82 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 4.12 0.00 2.92 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 15 Q 8.08 4.11 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 16 L 8.16 4.32 0.00 1.92 1.80 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.11 3.98 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 18 N 7.79 4.32 0.00 2.32 2.38 0.00 0.00 6.90 6.83 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 19 Y 7.61 4.54 0.00 3.06 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 20 C 7.68 4.49 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.54 4.53 0.00 2.72 2.73 0.00 0.00 6.80 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