NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0023 8.2127 109.7450 45.3803 0.0000 173.6496 2 I 3.3979 8.0833 117.5540 63.1505 37.5497 173.2877 3 V 3.5323 8.4175 120.0766 66.0136 31.5728 177.3169 4 E 4.3960 7.9937 119.2084 59.0052 29.1723 178.9991 5 Q 4.0949 7.9812 116.7059 57.8058 29.0174 176.7164 6 C 4.9483 8.3542 115.3405 56.8506 42.4184 175.0042 7 C 4.3574 7.7913 118.8855 61.6740 32.2521 174.8367 8 T 4.0171 8.3191 111.1215 63.5357 68.7280 173.8623 9 S 5.0534 7.2281 114.7906 55.6696 66.2405 173.4859 10 I 3.7674 8.1075 121.6112 61.4155 37.1526 177.1946 11 C 4.8298 8.5543 125.3708 56.3114 44.8156 172.5227 12 S 4.8064 8.0124 114.6512 55.8763 66.4938 174.8087 13 L 4.0119 8.5813 124.5558 58.3420 41.6379 178.5898 14 Y 3.9323 8.0424 118.4074 60.9190 39.0974 177.8812 15 Q 4.2876 8.1178 118.9257 58.9017 28.8304 178.4774 16 L 4.1672 8.0937 120.0414 58.1148 41.8200 179.5237 17 E 4.0277 8.3540 117.7780 58.8843 29.0865 178.8541 18 N 4.2803 7.7597 115.6527 55.1492 38.5426 175.1376 19 Y 4.5453 7.4980 116.2130 57.7537 38.5586 175.6478 20 C 4.4860 7.4652 117.7029 59.1294 29.1781 173.5292 21 N 4.5319 8.5423 117.9515 53.7551 38.2315 175.3682 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.40 0.70 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.63 0.00 0.00 3 V 8.42 3.53 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 1.09 0.00 0.00 0.88 0.00 0.00 4 E 7.99 4.40 0.00 2.27 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 2.41 2.32 0.00 5 Q 7.98 4.09 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 6 C 8.35 4.95 0.00 3.04 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 7 C 7.79 4.36 0.00 2.93 3.05 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 0.00 0.00 0.00 0.00 8 T 8.32 4.02 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 7.23 5.05 0.00 3.83 3.85 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 10 I 8.11 3.77 1.88 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 1.30 0.54 0.92 0.00 0.00 11 C 8.55 4.83 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.01 4.81 0.00 4.10 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 13 L 8.58 4.01 0.00 1.81 1.76 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 3.93 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.29 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 16 L 8.09 4.17 0.00 1.91 1.78 0.95 0.81 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 8.35 4.03 0.00 1.89 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 2.31 2.47 0.00 18 N 7.76 4.28 0.00 2.55 2.32 0.00 0.00 6.89 7.46 0.00 0.00 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 7.50 4.55 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 7.47 4.49 0.00 2.96 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 2.72 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