NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3465 8.3044 120.3298 55.0497 33.1629 173.9943 2 K 3.8311 8.6744 123.7149 57.1144 32.0538 175.7424 3 R 4.5000 8.6406 126.5177 54.7997 32.1645 175.1742 4 T 3.9070 8.1301 120.1646 61.6135 67.2909 172.2642 5 F 4.5632 7.9908 122.5049 54.9291 44.5780 172.9403 6 Q 3.4257 9.2639 135.0000 55.6975 27.4369 170.5509 7 P 4.5700 0.0000 0.0000 62.2488 32.6450 176.8852 8 S 4.6408 8.3620 108.0001 57.7259 63.3564 177.3371 9 V 3.3497 7.6202 127.5386 66.5072 32.0502 177.6238 10 L 4.0177 8.1297 120.7105 58.3383 41.9169 178.1171 11 K 4.4297 7.9759 116.9194 56.9118 32.0102 177.0385 12 R 4.5554 7.9263 115.2804 55.9328 32.7944 174.4301 13 N 5.1253 8.3457 113.7424 51.9929 38.9993 175.9518 14 R 3.9004 9.6525 115.3263 59.4808 30.6070 176.3484 15 S 4.2284 8.0904 111.0727 60.9224 62.8507 173.1264 16 H 4.3903 9.1816 117.2741 56.2045 33.7300 174.5604 17 G 3.7155 9.1507 112.5490 46.3077 0.0000 172.4311 18 F 4.0236 8.6292 119.5742 58.8087 37.0947 175.9400 19 R 4.2222 8.3873 118.2875 57.9522 30.4102 178.4494 20 A 3.9918 8.3252 122.1106 55.1590 18.4378 179.4188 21 R 3.9825 8.1608 113.8687 59.8293 30.1283 176.9942 22 M 4.4286 8.2012 115.8991 55.6675 31.5726 176.4738 23 A 4.7555 7.8456 119.0739 51.5946 20.2213 177.6259 24 T 4.6898 7.5723 106.6488 59.0028 73.0074 174.3618 25 K 3.9744 8.8117 124.5797 59.9046 32.2141 178.9543 26 N 4.4274 8.1833 116.4916 55.8745 37.2744 176.8941 27 G 3.9647 8.0647 109.4794 46.9176 0.0000 175.3693 28 R 3.9843 9.0261 122.2860 58.3719 30.1415 178.6158 29 Q 4.0553 7.8374 117.9291 58.8199 28.6351 178.2303 30 V 3.5802 8.2287 119.7281 66.2752 31.3708 177.8357 31 L 3.9587 7.4223 117.9815 58.4813 41.3089 178.7982 32 A 4.0393 7.7193 119.4200 54.9823 18.5299 179.3643 33 R 3.8440 8.3052 112.9333 59.6370 29.1374 178.7319 34 R 3.9935 8.0576 118.9010 59.7367 30.5360 177.8799 35 R 3.8677 9.2261 119.3980 58.6591 29.7806 178.2235 36 A 3.6188 8.0142 121.9440 56.2671 19.3890 177.3261 37 K 3.7635 7.6454 122.3631 56.9524 32.3137 175.8917 38 G 3.6794 8.3348 115.5198 44.5799 0.0000 170.0083 39 R 4.4341 8.2301 118.6565 56.4716 30.4882 175.7961 40 A 4.7898 8.2724 125.6468 50.2156 21.1228 176.8387 41 R 3.8700 8.6134 120.8250 57.0338 30.4638 178.0422 42 L 3.6062 7.6917 119.3970 55.2684 42.1111 171.6026 43 T 4.0794 8.7556 114.7193 62.3714 72.9021 177.8592 44 V 2.7853 8.3836 109.0718 61.7271 32.3751 176.3476 45 S 4.6377 9.1018 122.0710 59.1875 64.1828 174.2001 46 K 4.1774 8.6021 123.7858 56.6880 32.3197 175.7462 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 4.35 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 8.67 3.83 0.00 1.78 1.75 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.61 7.81 3 R 8.64 4.50 0.00 2.03 2.30 0.00 3.52 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 4 T 8.13 3.91 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 5 F 7.99 4.56 0.00 3.00 2.76 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 6 Q 9.26 3.43 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 7 P 0.00 4.57 0.00 2.22 2.04 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 S 8.36 4.64 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.35 2.16 0.00 0.00 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 0.99 0.00 0.00 10 L 8.13 4.02 0.00 1.68 1.75 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.98 4.43 0.00 1.87 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.36 7.81 12 R 7.93 4.56 0.00 1.43 0.66 0.00 3.04 0.00 0.00 2.65 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.00 13 N 8.35 5.13 0.00 3.38 2.34 0.00 0.00 7.29 7.65 0.00 0.00 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 R 9.65 3.90 0.00 1.84 1.99 0.00 3.47 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 15 S 8.09 4.23 0.00 3.87 3.86 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 16 H 9.18 4.39 0.00 3.12 3.01 0.00 5.98 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.15 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 4.02 0.00 3.15 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.22 0.00 2.01 2.09 0.00 2.85 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 20 A 8.33 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.98 0.00 1.83 2.21 0.00 3.38 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 22 M 8.20 4.43 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 23 A 7.85 4.76 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.57 4.69 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 1.22 0.00 0.00 25 K 8.81 3.97 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.61 7.81 26 N 8.18 4.43 0.00 2.92 3.07 0.00 0.00 6.00 6.95 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 27 G 8.06 3.96 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 0.00 0.00 0.00 28 R 9.03 3.98 0.00 1.86 1.94 0.00 3.10 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 29 Q 7.84 4.06 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.47 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 30 V 8.23 3.58 2.30 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 1.13 0.00 0.00 0.94 0.00 0.00 31 L 7.42 3.96 0.00 1.83 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.72 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.31 3.84 0.00 2.09 2.24 0.00 2.78 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 34 R 8.06 3.99 0.00 1.95 2.13 0.00 3.28 0.00 0.00 3.16 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 35 R 9.23 3.87 0.00 1.92 1.88 0.00 3.31 0.00 0.00 3.17 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 36 A 8.01 3.62 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.65 3.76 0.00 2.07 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.40 7.81 38 G 8.33 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 39 R 8.23 4.43 0.00 1.81 1.96 0.00 3.23 0.00 0.00 3.89 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 40 A 8.27 4.79 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.61 3.87 0.00 1.80 2.01 0.00 3.42 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 42 L 7.69 3.61 0.00 1.75 1.67 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.76 4.08 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 V 8.38 2.79 2.19 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 0.78 0.00 0.00 0.96 0.00 0.00 45 S 9.10 4.64 0.00 3.70 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.60 4.18 0.00 1.73 1.71 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.43 7.81