NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3579 8.2549 120.8824 56.2131 31.2894 174.5767 2 R 4.0739 8.1628 121.1058 52.8275 31.5353 175.0617 3 W 4.0402 7.7145 112.8519 56.6164 30.3353 171.0083 4 C 4.0079 9.0307 130.2627 55.5232 42.5114 171.9006 5 F 4.8125 8.4728 123.1536 55.4623 42.0355 173.9458 6 R 4.9992 8.6654 119.9751 54.3341 31.8257 175.2418 7 V 4.2008 8.5541 123.0997 62.2729 32.8968 175.7853 8 C 5.4219 8.8183 124.9728 55.3265 38.6588 173.1581 9 Y 4.2040 9.0740 122.3656 56.4024 38.6432 174.7987 10 R 3.6188 8.8880 129.4766 57.6202 27.9866 175.9100 11 G 4.0830 8.0812 101.2244 45.8409 0.0000 171.7644 12 R 4.4289 8.0547 113.5350 55.8763 32.5129 171.4169 13 F 3.3689 8.7918 123.5359 57.3921 35.5937 174.3820 14 C 5.0289 7.8355 123.7726 54.5202 46.6159 173.0782 15 Y 4.7402 8.0789 120.6590 55.0818 36.9353 175.3811 16 R 4.0151 7.9504 120.3230 56.6559 31.9389 176.5534 17 K 4.2055 8.1817 115.9143 56.6754 35.4008 173.2306 18 C 5.0980 8.7594 125.5162 55.4167 42.3544 174.2511 19 R 4.1680 8.3598 122.5230 57.0234 29.4749 174.3121 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 R 8.25 4.36 0.00 1.86 2.04 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 2 R 8.16 4.07 0.00 1.97 1.80 0.00 3.40 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 3 W 7.71 4.04 0.00 3.47 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 4 C 9.03 4.01 0.00 3.23 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 5 F 8.47 4.81 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.67 5.00 0.00 1.78 1.87 0.00 3.00 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 7 V 8.55 4.20 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.02 0.00 0.00 8 C 8.82 5.42 0.00 2.92 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 9 Y 9.07 4.20 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.89 3.62 0.00 1.81 1.93 0.00 3.44 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 11 G 8.08 4.08 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 0.00 0.00 0.00 12 R 8.05 4.43 0.00 2.15 2.08 0.00 3.01 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 13 F 8.79 3.37 0.00 3.40 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.84 5.03 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.74 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.95 4.02 0.00 1.72 1.95 0.00 3.29 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 17 K 8.18 4.21 0.00 1.99 1.84 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.40 7.81 18 C 8.76 5.10 0.00 3.03 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 19 R 8.36 4.17 0.00 1.77 1.77 0.00 3.29 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00