NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9894 8.2127 109.7436 45.3568 0.0000 173.2921 2 I 3.2653 8.2596 118.9250 62.5942 37.4787 173.4731 3 V 3.5198 8.3712 119.9668 65.8682 31.6881 177.0052 4 E 3.9179 8.1235 116.6618 59.8050 29.4494 178.8829 5 Q 4.1841 8.1657 117.8712 58.3782 29.2649 175.7596 6 C 5.1567 8.0523 112.8176 55.7992 41.7104 174.0032 7 C 4.3630 8.0832 116.7865 59.8261 28.8255 174.4770 8 T 4.3308 7.9212 109.0503 62.4318 69.4501 174.9971 9 S 4.8292 7.5089 116.2538 55.7656 66.2450 173.1756 10 I 4.0738 8.1888 123.6945 61.5878 37.3553 176.5975 11 C 4.8888 8.5583 123.2367 55.8546 41.7833 174.4004 12 S 4.4804 9.1303 119.6064 57.8199 64.8975 175.4881 13 L 3.8855 8.2265 121.8261 58.2329 40.9951 179.4898 14 Y 4.3496 7.4748 115.4887 60.9728 38.0565 177.8398 15 Q 4.2133 8.3685 119.2441 59.0874 28.8407 178.8115 16 L 4.3229 8.3442 120.1276 57.6075 41.6601 179.0075 17 E 4.0045 8.3576 119.3676 59.0802 29.2612 178.2056 18 N 4.4363 7.8628 115.0103 55.1009 38.3459 174.9502 19 Y 4.5435 7.8534 117.4290 57.7219 38.8040 175.6102 20 C 4.4091 7.6768 117.9941 59.3824 28.9213 173.5259 21 N 4.5469 8.5623 117.6133 53.8093 38.1508 175.3811 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 3.99 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 0.00 0.00 0.00 2 I 8.26 3.27 0.70 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.17 0.66 0.00 0.00 3 V 8.37 3.52 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.12 3.92 0.00 2.23 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 2.33 2.45 0.00 5 Q 8.17 4.18 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 6 C 8.05 5.16 0.00 3.05 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 8.08 4.36 0.00 3.10 2.94 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 0.00 0.00 0.00 8 T 7.92 4.33 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 7.51 4.83 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.07 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 1.41 0.47 0.91 0.00 0.00 11 C 8.56 4.89 0.00 2.98 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 12 S 9.13 4.48 0.00 4.04 4.05 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 13 L 8.23 3.89 0.00 1.31 1.55 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.47 4.35 0.00 3.01 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 15 Q 8.37 4.21 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 8.34 4.32 0.00 1.87 1.80 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.36 4.00 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 18 N 7.86 4.44 0.00 2.46 2.52 0.00 0.00 6.90 8.68 0.00 0.00 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 7.85 4.54 0.00 3.13 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 20 C 7.68 4.41 0.00 3.07 2.89 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 0.00 0.00 0.00 21 N 8.56 4.55 0.00 2.72 2.74 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