NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9771 8.3431 109.7361 44.7255 0.0000 172.3321 2 G 3.8209 7.4901 108.4006 44.0936 0.0000 175.7662 3 G 3.8187 9.1453 110.9770 44.4113 0.0000 170.5519 4 E 4.6630 8.0274 125.0041 55.2417 31.9014 175.8551 5 Q 4.5567 8.3831 113.9160 56.7581 31.9648 176.3181 6 C 4.9201 8.2164 114.3816 56.6785 38.7661 173.8791 7 C 4.2940 7.2936 119.5571 61.0345 32.4154 175.3096 8 T 4.0505 7.8383 114.4382 63.8690 69.4459 174.3288 9 S 4.8002 7.0566 117.2649 57.0179 64.3512 172.5343 10 I 4.4566 8.1250 120.7869 60.7045 40.1643 172.8340 11 C 5.0634 8.5648 122.8214 53.7501 38.6679 171.7217 12 S 4.7828 8.1948 112.6509 55.8128 65.4139 175.1314 13 L 4.1154 8.6437 122.1708 58.9209 39.8248 178.5808 14 Y 3.9108 7.8794 117.1234 61.1450 37.7666 177.9460 15 Q 3.9661 8.3714 118.3776 59.3355 28.7125 179.2626 16 L 4.3533 7.9737 119.2789 57.4170 41.4646 178.8123 17 E 4.1799 8.8714 118.4841 58.2755 29.3175 177.8768 18 N 4.5741 7.6636 115.0719 54.5110 38.8534 175.6058 19 Y 4.3860 7.5888 117.4971 58.9607 38.9386 175.1518 20 C 4.4706 7.6595 117.1864 59.2191 30.4282 173.4506 21 N 4.6125 8.6515 116.9861 54.4091 37.9969 174.4080 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 8.34 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 G 7.49 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 9.15 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.03 4.66 0.00 1.97 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 2.37 2.21 0.00 5 Q 8.38 4.56 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.84 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 6 C 8.22 4.92 0.00 2.96 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 4.29 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.05 4.25 0.00 0.00 0.00 0.00 0.00 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 7.06 4.80 0.00 4.04 4.03 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 10 I 8.13 4.46 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 1.48 0.63 0.93 0.00 0.00 11 C 8.56 5.06 0.00 3.13 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.19 4.78 0.00 3.90 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 8.64 4.12 0.00 1.76 1.80 0.70 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.88 3.91 0.00 3.18 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 15 Q 8.37 3.97 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 16 L 7.97 4.35 0.00 1.95 1.77 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.87 4.18 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 18 N 7.66 4.57 0.00 2.67 2.64 0.00 0.00 6.85 7.64 0.00 0.00 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 7.59 4.39 0.00 3.14 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 7.66 4.47 0.00 2.96 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 21 N 8.65 4.61 0.00 2.88 2.84 0.00 0.00 6.71 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