NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7514 8.4293 117.8622 54.9023 29.7521 173.3812 2 P 4.4007 0.0000 0.0000 60.9684 31.7081 175.7451 3 L 4.4588 8.2244 120.4717 56.0702 41.8114 179.7861 4 K 3.8853 8.4573 121.7836 60.8756 32.3905 177.5769 5 Q 4.4002 8.4300 117.6055 56.7324 29.1454 175.2866 6 Y 4.3269 9.1323 114.6990 59.5367 37.8045 176.1787 7 W 5.0869 8.0547 121.5355 55.5988 27.9058 177.6617 8 W 4.5059 8.1672 128.8106 58.6754 31.0192 176.0981 9 R 4.9255 6.6541 120.9614 56.2382 27.1243 173.6673 10 P 4.5047 0.0000 0.0000 64.0030 32.2214 177.8712 11 S 4.0484 8.0770 113.8567 60.5224 62.9744 174.3783 12 I 3.9170 7.1623 125.1896 61.8492 36.8075 175.4993 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 H 8.43 4.75 0.00 3.16 3.44 0.00 5.88 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.40 0.00 2.34 2.16 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 3 L 8.22 4.46 0.00 1.08 0.97 1.02 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.46 3.89 0.00 2.00 2.23 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.58 7.81 5 Q 8.43 4.40 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 6 Y 9.13 4.33 0.00 2.97 2.96 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 7 W 8.05 5.09 0.00 3.61 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.17 4.51 0.00 3.20 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.65 4.93 0.00 1.76 1.76 0.00 2.21 0.00 0.00 2.66 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 10 P 0.00 4.50 0.00 2.32 2.47 0.00 3.92 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 11 S 8.08 4.05 0.00 3.15 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.16 3.92 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.95 0.00 0.00