NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9638 8.2133 109.7414 44.9416 0.0000 174.5502 2 I 3.0283 8.0888 120.6588 62.2853 36.6925 173.7434 3 V 3.4767 7.6843 119.7987 64.9716 31.6207 177.7566 4 E 3.9100 7.5895 117.8040 58.0637 29.4536 177.9762 5 Q 4.1910 7.9215 118.6038 58.1383 29.4634 177.0995 6 C 5.1840 8.4990 115.7107 55.6441 41.8504 173.9120 7 C 4.7134 8.2408 118.8110 59.7996 27.7659 174.3757 8 T 4.4537 7.3615 107.5038 61.3629 70.6406 172.9695 9 S 4.7872 7.5266 116.4866 55.0770 65.6652 173.9845 10 I 3.7515 8.3755 124.9181 62.3045 37.3669 176.0801 11 C 4.8895 8.5254 121.4007 55.3484 40.9814 173.4348 12 S 4.7043 8.1893 116.8133 56.6725 63.7743 174.9756 13 L 3.9438 8.4857 122.0702 57.7925 41.3706 179.3208 14 Y 4.1208 8.0019 114.5209 60.0580 38.6451 177.2138 15 Q 4.2786 8.0732 118.4979 58.1264 28.9891 177.8165 16 L 4.0635 8.3850 122.2999 58.0064 41.9734 178.2387 17 E 4.1149 7.5775 117.0097 58.3259 29.5185 178.2946 18 N 4.4751 7.9287 115.3584 56.1035 40.0004 175.9368 19 Y 4.5857 7.6833 119.9771 56.2237 37.0482 175.2588 20 C 4.5184 7.5151 122.9203 58.6547 34.1261 173.4236 21 N 4.5737 8.5593 115.2913 53.8694 39.2854 174.0149 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 8.09 3.03 1.60 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.45 0.29 0.00 0.00 3 V 7.68 3.48 2.03 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 0.89 0.00 0.00 0.90 0.00 0.00 4 E 7.59 3.91 0.00 2.02 2.03 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 2.32 2.31 0.00 5 Q 7.92 4.19 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 6 C 8.50 5.18 0.00 2.80 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 7 C 8.24 4.71 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 8 T 7.36 4.45 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 1.29 0.00 0.00 9 S 7.53 4.79 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.75 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 0.92 0.00 0.00 11 C 8.53 4.89 0.00 2.96 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 8.19 4.70 0.00 3.94 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 13 L 8.49 3.94 0.00 1.17 1.23 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 4.12 0.00 2.94 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 8.07 4.28 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 16 L 8.38 4.06 0.00 2.02 1.68 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.58 4.11 0.00 2.31 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 0.00 2.32 2.33 0.00 18 N 7.93 4.48 0.00 2.51 2.25 0.00 0.00 6.89 8.00 0.00 0.00 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 4.59 0.00 2.83 2.91 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 0.00 0.00 0.00 20 C 7.52 4.52 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.57 0.00 2.69 2.62 0.00 0.00 6.59 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