NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9096 8.3544 109.7372 45.3147 0.0000 171.5083 2 S 4.5756 8.1418 118.6073 56.3614 64.5614 171.0453 3 S 4.5122 8.6214 121.9839 60.1421 65.5284 174.8384 4 G 3.7808 7.8699 115.4953 45.5936 0.0000 172.9284 5 S 4.2371 8.3019 122.3336 58.5669 63.6117 173.8316 6 S 4.5318 8.2562 116.0419 57.8224 63.5354 173.9998 7 G 4.0935 8.7321 119.2386 46.3457 0.0000 175.6170 8 A 4.3317 7.5858 120.7507 50.6929 18.1042 175.7053 9 S 4.4339 7.9824 114.0840 56.2132 64.3833 174.0278 10 I 3.5483 8.1942 128.1184 62.3887 37.1968 174.8562 11 Y 4.8150 8.3367 121.4133 55.9981 40.8492 174.9965 12 K 4.6314 8.4308 118.9801 55.7833 35.1353 174.9928 13 N 4.9003 8.3618 120.2845 51.8187 41.8593 173.3665 14 K 4.2129 8.4804 124.3042 56.1361 32.9428 176.3354 15 K 4.6935 8.3405 124.0507 54.6628 36.0634 175.5284 16 S 4.6364 8.3222 116.8620 57.5853 64.2064 174.6480 17 H 3.8866 9.1949 125.5190 59.8375 29.3205 176.4857 18 E 3.8896 8.0558 118.4673 59.6739 29.6924 179.2577 19 Q 4.0389 8.4533 118.0818 58.4932 28.9839 177.7364 20 L 3.5471 7.7910 121.1348 58.2843 41.8926 178.6898 21 S 3.9425 8.1632 113.9471 61.7684 62.4051 175.9957 22 A 3.8806 7.8754 122.8029 54.6939 18.2047 178.7390 23 L 3.6453 7.1951 116.1211 57.9188 41.5123 179.7825 24 K 4.1609 7.6325 117.9107 59.9972 30.5912 179.4731 25 G 4.0780 8.1624 105.5513 48.0955 0.0000 175.6074 26 S 4.5619 8.2724 117.1705 61.3240 62.8952 176.1263 27 F 4.7640 9.0165 124.5157 60.7920 39.3261 176.5262 28 C 4.1647 8.3414 113.5075 62.0543 29.4842 175.9955 29 R 4.1326 7.4928 119.1687 56.4847 30.2872 175.7191 30 N 4.7366 8.2244 116.7484 51.6447 40.3942 175.0173 31 Q 3.5606 8.7606 125.7097 58.3420 29.0296 177.1195 32 F 4.7856 7.1730 110.6762 53.7769 40.7182 172.7789 33 P 4.3424 0.0000 0.0000 62.4616 32.4637 175.2863 34 G 3.8997 8.3044 104.9838 45.5034 0.0000 173.4037 35 Q 4.3747 8.5810 115.3857 56.8802 32.7696 178.2663 36 S 4.1178 8.1100 113.3127 61.6302 62.9397 175.8867 37 E 3.9236 8.2063 120.7667 59.8949 29.2184 179.2573 38 V 3.5854 7.8596 116.9932 66.3816 31.3242 177.4919 39 E 4.0512 7.6910 118.7323 59.6159 29.6799 178.9789 40 H 4.3409 8.4185 118.0484 58.7494 30.0301 176.8724 41 L 3.8149 8.2880 120.9669 58.4432 41.7471 179.7406 42 T 4.1706 8.3359 109.5174 64.8835 67.9967 175.6824 43 K 4.2168 8.1868 119.8816 58.2797 32.8223 178.8160 44 V 3.7032 7.5603 117.1837 64.9248 31.5484 176.9351 45 T 4.4133 8.4997 107.8531 60.8245 70.3893 174.2747 46 G 4.1274 8.1672 109.3427 45.1757 0.0000 174.0026 47 L 4.0468 6.8650 116.9123 54.9534 42.3940 178.0093 48 S 4.2949 8.5037 116.9452 58.7732 64.7803 175.6432 49 T 3.8962 8.6530 121.6204 67.2795 68.1225 176.6274 50 R 3.9509 7.9642 119.6997 59.4163 30.2967 178.2539 51 E 4.0317 8.0780 117.9736 59.3196 29.3220 179.2036 52 V 3.7003 7.9695 117.3953 66.2945 32.0752 177.9218 53 R 4.2409 8.1446 117.7030 59.1019 29.8305 178.6108 54 K 4.0541 8.5580 119.7481 59.7323 32.1578 177.9572 55 W 4.5518 8.4263 127.9030 61.1411 30.5788 177.7379 56 F 3.7706 8.7602 115.9504 60.8868 38.4398 178.2096 57 S 4.0701 8.5491 114.8155 62.2285 62.5723 175.8660 58 D 4.4051 8.5744 121.5123 57.1498 40.4392 179.0219 59 R 3.4894 6.7632 117.3489 59.4461 29.9653 178.7294 60 R 3.7544 7.0996 115.4098 59.6058 30.1922 178.1019 61 Y 4.4795 7.5540 114.9408 61.7840 38.0519 177.9741 62 H 4.4291 8.1519 117.4825 58.6172 30.9115 175.7829 63 C 4.4645 7.5304 119.5057 56.9095 27.1255 171.9173 64 R 4.5232 7.3434 122.4315 55.3808 33.2877 174.6368 65 N 4.1342 8.6746 121.6834 54.0429 36.6708 175.4720 66 L 4.5563 7.5940 116.8458 55.1241 39.8568 175.6383 67 K 4.6850 8.4079 119.6733 54.9916 35.8519 177.8645 68 G 5.0195 8.3242 120.1587 47.5920 0.0000 174.0428 69 S 4.1414 7.8374 114.1038 60.1388 62.6281 174.1296 70 R 4.5352 7.5671 118.0511 54.4746 31.8566 176.5762 71 S 4.1890 8.5579 113.5653 62.5330 63.3655 173.1790 72 G 3.1437 8.0045 109.1090 43.6650 0.0000 170.0721 73 P 4.3931 0.0000 0.0000 62.4593 30.1770 177.3685 74 S 4.3083 8.2261 120.1105 58.4011 63.7320 175.3264 75 S 4.5243 8.2765 116.6906 56.9928 61.7708 174.4984 76 G 3.7282 8.0890 115.8121 46.5498 0.0000 170.7967 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 G 8.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.58 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.62 4.51 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.87 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 0.00 0.00 0.00 5 S 8.30 4.24 0.00 3.91 3.88 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 6 S 8.26 4.53 0.00 3.83 3.77 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 7 G 8.73 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 8 A 7.59 4.33 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 9 S 7.98 4.43 0.00 3.65 3.35 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 10 I 8.19 3.55 1.71 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.90 0.00 0.00 11 Y 8.34 4.81 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.63 0.00 1.83 1.77 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.46 7.81 13 N 8.36 4.90 0.00 2.67 2.71 0.00 0.00 7.18 6.70 0.00 0.00 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 K 8.48 4.21 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.47 7.81 15 K 8.34 4.69 0.00 1.77 1.65 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.47 7.81 16 S 8.32 4.64 0.00 3.86 4.03 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 H 9.19 3.89 0.00 3.19 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.06 3.89 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 19 Q 8.45 4.04 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 20 L 7.79 3.55 0.00 1.60 1.58 1.00 0.93 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 21 S 8.16 3.94 0.00 4.01 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 22 A 7.88 3.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.20 3.65 0.00 0.57 0.13 -0.35 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.63 4.16 0.00 2.02 1.95 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.66 7.81 25 G 8.16 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 26 S 8.27 4.56 0.00 4.29 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 27 F 9.02 4.76 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.34 4.16 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.49 4.13 0.00 1.92 2.00 0.00 3.16 0.00 0.00 3.31 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 30 N 8.22 4.74 0.00 2.69 2.56 0.00 0.00 7.11 6.86 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 31 Q 8.76 3.56 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 32 F 7.17 4.79 0.00 2.98 2.78 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 33 P 0.00 4.34 0.00 1.93 1.70 0.00 3.37 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.00 34 G 8.30 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 4.37 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 36 S 8.11 4.12 0.00 3.83 3.88 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 37 E 8.21 3.92 0.00 1.91 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 2.36 2.32 0.00 38 V 7.86 3.59 2.07 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 1.04 0.00 0.00 0.87 0.00 0.00 39 E 7.69 4.05 0.00 2.12 2.06 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 2.37 2.41 0.00 40 H 8.42 4.34 0.00 3.25 3.51 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.29 3.81 0.00 1.90 1.74 1.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.34 4.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 43 K 8.19 4.22 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.55 7.81 44 V 7.56 3.70 1.93 0.00 0.00 0.00 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 0.52 0.00 0.00 45 T 8.50 4.41 4.16 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 0.00 0.00 0.00 1.06 0.00 0.00 46 G 8.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 6.87 4.05 0.00 1.74 1.66 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.50 4.29 0.00 3.88 3.80 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 49 T 8.65 3.90 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 1.23 0.00 0.00 50 R 7.96 3.95 0.00 1.91 1.96 0.00 3.24 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 51 E 8.08 4.03 0.00 2.32 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 2.42 2.32 0.00 52 V 7.97 3.70 2.32 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 0.99 0.00 0.00 1.09 0.00 0.00 53 R 8.14 4.24 0.00 2.01 2.03 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 54 K 8.56 4.05 0.00 2.11 2.24 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.70 7.81 55 W 8.43 4.55 0.00 3.52 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.76 3.77 0.00 3.65 3.38 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 57 S 8.55 4.07 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.57 4.41 0.00 2.45 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 6.76 3.49 0.00 0.83 1.13 0.00 2.94 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 60 R 7.10 3.75 0.00 1.81 1.85 0.00 3.29 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 61 Y 7.55 4.48 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.15 4.43 0.00 3.04 3.44 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 7.53 4.46 0.00 3.00 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 64 R 7.34 4.52 0.00 1.92 1.78 0.00 3.43 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 65 N 8.67 4.13 0.00 2.94 2.89 0.00 0.00 6.06 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.59 4.56 0.00 1.73 1.70 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.41 4.69 0.00 1.85 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.33 7.81 68 G 8.32 5.02 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 0.00 0.00 0.00 69 S 7.84 4.14 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.57 4.54 0.00 1.82 1.85 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 71 S 8.56 4.19 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.00 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.39 0.00 2.20 2.13 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 1.99 1.96 0.00 74 S 8.23 4.31 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.28 4.52 0.00 4.00 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 76 G 8.09 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 0.00 0.00 0.00