NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4232 8.3049 120.3491 55.4310 33.5273 176.9342 2 K 4.1628 8.0905 116.8312 57.7135 33.1718 176.9131 3 K 4.0224 8.2775 120.0960 59.2649 32.2851 178.7037 4 A 4.0705 8.0702 119.5824 54.8026 18.2357 178.9475 5 R 4.2746 7.5794 114.8779 56.0774 30.6618 176.6877 6 R 4.5137 7.2858 115.4853 53.6407 30.9182 175.9764 7 S 4.0724 8.7446 118.1725 57.3622 62.7624 171.7778 8 P 4.3145 0.0000 0.0000 63.1353 31.3951 175.7861 9 S 4.4446 8.5583 113.2125 58.3686 63.6779 174.7118 10 R 3.8489 7.9209 117.4655 57.1386 27.3560 177.2261 11 R 4.1235 8.0580 118.1644 58.4575 30.7801 176.7250 12 K 4.0360 7.7660 116.4970 57.2814 32.6947 177.2617 13 G 3.6836 8.6881 108.0319 44.5309 0.0000 171.6902 14 A 4.4079 7.7925 121.3851 50.6084 20.7525 176.6101 15 R 4.0098 8.2448 117.4557 56.2748 30.7395 176.2691 16 L 4.0291 7.8927 123.5148 54.8182 43.5605 176.4155 17 W 4.9154 7.1064 118.3452 55.4080 29.2635 174.8378 18 Y 4.5939 8.7542 122.0732 56.3351 38.8754 176.2046 19 V 4.4687 8.6837 121.9325 61.1666 32.6852 175.9004 20 G 4.1534 8.7301 109.4223 44.8732 0.0000 174.8776 21 G 3.9388 7.1218 104.6163 46.1275 0.0000 171.3656 22 S 4.2242 8.3844 115.9966 57.7957 63.9251 173.4356 23 Q 4.3290 8.1000 124.5820 54.1672 31.6238 174.4336 24 F 4.4569 8.8341 122.7892 57.9239 39.0273 175.2442 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 M 8.30 4.42 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.09 4.16 0.00 1.91 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.59 7.81 3 K 8.28 4.02 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 4 A 8.07 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 4.27 0.00 1.82 1.99 0.00 3.13 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 6 R 7.29 4.51 0.00 1.91 1.92 0.00 3.08 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 7 S 8.74 4.07 0.00 3.85 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 8 P 0.00 4.31 0.00 2.23 2.12 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 9 S 8.56 4.44 0.00 3.90 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 10 R 7.92 3.85 0.00 1.99 2.05 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 11 R 8.06 4.12 0.00 1.77 1.96 0.00 3.29 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 12 K 7.77 4.04 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.50 7.81 13 G 8.69 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.79 4.41 1.23 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 0.00 0.00 0.00 0.00 0.00 15 R 8.24 4.01 0.00 1.67 1.77 0.00 2.97 0.00 0.00 2.80 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.30 0.00 16 L 7.89 4.03 0.00 0.27 0.13 0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 W 7.11 4.92 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.75 4.59 0.00 3.01 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 19 V 8.68 4.47 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 20 G 8.73 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.12 3.94 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 0.00 0.00 0.00 22 S 8.38 4.22 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.10 4.33 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.13 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 24 F 8.83 4.46 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00