NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3850 8.2549 119.7024 55.5861 32.4576 175.4061 2 K 4.3079 7.5180 114.1729 56.1530 35.6481 175.9064 3 G 4.2274 7.5023 100.9875 45.6001 0.0000 173.1511 4 H 4.4716 6.9774 125.6548 55.1730 29.3747 172.8570 5 F 5.3879 7.2916 120.5996 56.3307 43.1929 175.1124 6 S 4.8575 8.5115 116.0510 57.6617 65.1016 173.9710 7 R 4.5595 8.6635 125.5021 56.1819 30.9812 175.3810 8 C 4.6526 8.7137 124.3600 58.6715 28.9263 172.2202 9 P 4.5844 0.0000 0.0000 61.9942 32.3460 177.3933 10 K 3.8930 8.6172 119.0454 59.7275 31.6374 179.3050 11 Q 3.8552 8.0699 118.6306 58.5162 29.0430 176.7897 12 Y 4.3449 7.5022 114.5475 57.2060 39.6965 176.0914 13 K 3.4333 7.4357 121.9619 55.8071 31.5509 177.8874 14 H 4.4509 7.1919 115.5200 57.6215 29.5846 176.8155 15 Y 4.3818 6.6530 115.7758 58.3144 38.4567 175.2841 16 C 4.6608 7.1763 117.2681 58.5344 31.1926 173.7853 17 I 3.8066 8.2105 127.3012 63.2649 37.9069 177.7292 18 K 4.5896 8.2121 119.9325 55.4299 31.3846 175.5740 19 G 4.3113 7.5192 104.9855 45.8695 0.0000 173.5560 20 R 4.6587 8.5656 123.1009 55.6634 33.0673 174.5838 21 C 4.9809 8.3286 117.4942 58.6651 35.4494 172.5609 22 R 4.8235 9.2142 126.9001 54.6994 32.0837 174.2195 23 F 4.6519 9.0087 130.5471 56.7661 41.1867 174.7088 24 V 4.3364 8.1971 127.6736 62.4848 31.9078 176.7757 25 V 3.6486 8.9541 128.1501 66.0214 31.9881 176.6525 26 A 4.0662 8.3039 120.9415 54.8992 18.0487 177.7707 27 E 4.3007 7.8558 120.8217 53.8116 28.9197 172.7937 28 Q 4.1834 8.2772 126.8154 56.0315 28.7488 176.8441 29 T 4.4920 8.2742 121.6343 61.2758 71.0754 169.5237 30 P 3.3956 0.0000 0.0000 61.8298 32.1509 176.0527 31 S 4.5075 8.3166 121.0536 56.5100 66.1389 172.7218 32 C 4.9251 8.5329 125.0209 57.5924 33.3152 172.6934 33 V 4.2498 8.5514 126.6458 61.2813 33.1076 174.8940 34 C 4.4358 8.3476 125.5356 58.7369 29.6084 173.3620 35 D 4.2885 8.0161 120.3585 54.6194 40.8048 177.4149 36 E 3.9573 9.2502 124.5887 59.4733 29.9455 177.7097 37 G 4.3055 7.9988 105.4688 46.9155 0.0000 172.7383 38 Y 5.2247 8.1532 117.2525 55.1483 41.1861 174.9160 39 I 4.0052 8.5301 119.3744 60.2002 42.0094 175.9962 40 G 4.0856 8.6007 109.4332 45.4527 0.0000 173.8908 41 A 4.1725 8.3860 123.0012 54.9031 18.9419 178.9894 42 R 4.4902 8.0108 113.3765 56.2551 31.1588 176.2289 43 C 4.6581 8.2021 112.3487 61.4739 25.4647 173.1798 44 E 4.2919 8.0774 120.7515 58.1406 31.3491 177.2746 45 R 4.5207 7.8861 118.1749 55.7527 31.9101 175.5811 46 V 4.7181 7.9631 118.2117 59.9165 34.6855 174.2444 47 D 5.0726 8.6346 120.9477 53.1501 41.2981 176.6907 48 L 4.3387 7.7631 119.2311 54.5474 43.7647 174.0820 49 F 4.0505 9.1949 125.3553 59.8898 39.7358 175.8066 50 Y 4.1531 8.2160 120.7673 58.1733 37.8626 175.5298 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 4.38 0.00 1.78 2.01 0.00 3.28 0.00 0.00 3.22 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 2 K 7.52 4.31 0.00 1.71 1.76 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.56 7.81 3 G 7.50 4.23 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 0.00 4 H 6.98 4.47 0.00 2.85 2.85 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.29 5.39 0.00 3.04 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 6 S 8.51 4.86 0.00 4.12 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 4.56 0.00 1.88 1.86 0.00 3.26 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 8 C 8.71 4.65 0.00 3.19 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 9 P 0.00 4.58 0.00 2.30 2.23 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.11 0.00 10 K 8.62 3.89 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.48 7.81 11 Q 8.07 3.86 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 12 Y 7.50 4.34 0.00 3.09 3.02 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 0.00 13 K 7.44 3.43 0.00 1.91 1.55 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 H 7.19 4.45 0.00 3.07 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 6.65 4.38 0.00 3.07 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 16 C 7.18 4.66 0.00 3.21 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 17 I 8.21 3.81 2.19 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.91 0.00 0.00 18 K 8.21 4.59 0.00 1.87 2.00 0.00 1.46 0.00 0.00 1.97 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.52 7.81 19 G 7.52 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 4.66 0.00 1.79 1.91 0.00 3.15 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 21 C 8.33 4.98 0.00 3.16 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 22 R 9.21 4.82 0.00 1.85 1.67 0.00 3.31 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 23 F 9.01 4.65 0.00 3.22 2.83 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 24 V 8.20 4.34 2.20 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 0.97 0.00 0.00 0.37 0.00 0.00 25 V 8.95 3.65 2.15 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 0.93 0.00 0.00 0.93 0.00 0.00 26 A 8.30 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.86 4.30 0.00 1.98 1.89 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 2.20 2.28 0.00 28 Q 8.28 4.18 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 29 T 8.27 4.49 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 30 P 0.00 3.40 0.00 1.48 0.49 0.00 3.40 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 31 S 8.32 4.51 0.00 3.60 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.53 4.93 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 33 V 8.55 4.25 2.04 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 0.86 0.00 0.00 0.87 0.00 0.00 34 C 8.35 4.44 0.00 1.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.02 4.29 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.25 3.96 0.00 1.94 2.04 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 2.35 2.37 0.00 37 G 8.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.15 5.22 0.00 3.07 2.98 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 39 I 8.53 4.01 1.70 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.48 0.79 0.00 0.00 40 G 8.60 4.09 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 0.00 0.00 0.00 41 A 8.39 4.17 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 42 R 8.01 4.49 0.00 1.93 1.98 0.00 3.31 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 43 C 8.20 4.66 0.00 3.37 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 44 E 8.08 4.29 0.00 1.98 1.94 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 2.20 2.32 0.00 45 R 7.89 4.52 0.00 1.78 1.80 0.00 3.11 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 46 V 7.96 4.72 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.96 0.00 0.00 47 D 8.63 5.07 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.76 4.34 0.00 1.63 1.52 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.19 4.05 0.00 3.18 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 50 Y 8.22 4.15 0.00 3.05 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