NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.9904 8.1548 117.2311 56.3524 31.1834 174.2832 6 V 4.3762 8.6845 114.2909 59.3840 34.8107 173.2271 7 Q 5.1359 8.9569 123.0110 54.1641 32.2656 174.5760 8 A 4.7579 9.0030 124.2825 50.2136 23.0648 175.3447 9 K 5.2556 8.4494 121.9802 55.8606 34.5426 175.0242 10 I 4.7242 8.3922 127.9883 59.8003 41.0277 174.8336 11 E 5.5852 8.7878 123.1503 55.4794 33.6320 174.3472 12 M 4.6390 8.7394 121.8564 53.2894 34.0667 174.3659 13 E 4.7436 8.5988 123.5896 55.4121 31.1529 174.9486 14 F 4.8471 9.0720 123.9000 55.0983 41.7713 174.2352 15 P 4.3742 0.0000 0.0000 65.3667 31.4858 176.9405 16 S 4.8883 7.7162 110.1935 56.0375 65.8847 174.4758 17 E 4.1351 8.5240 118.8814 58.4774 29.6541 178.6223 18 D 4.4308 7.9082 118.0620 56.0854 42.0519 178.5357 19 V 3.4854 7.8362 118.2554 65.5641 31.3950 177.4787 20 A 3.0301 7.3177 119.7168 55.3737 18.2261 179.0186 21 K 3.6182 7.6472 115.8142 60.1172 31.8724 179.0374 22 V 3.5220 7.9018 118.8690 66.6773 31.8165 178.1256 23 V 3.6110 7.7444 117.3845 66.1903 31.2458 176.9793 24 Y 3.9396 8.3164 119.0528 60.8827 38.6226 178.3090 25 E 3.8906 8.3429 119.5943 59.3364 29.3397 178.5869 26 A 4.0208 8.1008 120.8576 55.3125 18.3502 179.7813 27 V 3.3761 7.6971 116.1390 65.7441 31.8229 177.8038 28 L 3.6520 8.1396 120.5358 58.3145 41.5553 178.5833 29 Y 3.9246 7.7504 115.7712 60.8880 38.1157 178.2177 30 E 3.6970 7.4078 119.3075 59.0873 29.2498 178.2531 31 H 4.1362 8.6355 119.3239 59.7910 29.6862 177.1885 32 L 4.1031 7.7616 118.5476 57.5719 41.4581 179.3329 33 S 4.3821 7.6445 114.5353 59.8898 62.8493 174.9404 34 V 3.6870 6.9771 121.2704 63.0470 31.5886 173.9851 35 P 4.4445 0.0000 0.0000 65.2071 31.6251 176.3075 36 Y 4.6252 7.9389 113.2863 56.5282 39.9377 176.0862 37 R 4.6561 8.0259 120.2051 54.2015 30.9837 176.1514 38 R 3.9681 8.3754 117.5814 57.8751 30.0349 176.9624 39 S 4.6638 7.3939 111.7828 57.5019 66.7151 173.2735 40 E 4.5968 8.7583 120.2127 55.2239 30.9084 175.5276 41 I 4.8303 8.3562 124.4768 59.3639 40.4470 174.3849 42 D 4.9284 8.6724 125.6515 52.5739 43.4313 174.1801 43 F 5.5655 9.0122 128.6791 56.9307 41.0117 174.8951 44 K 4.8567 9.4879 124.1857 54.9241 37.0230 174.5694 45 L 4.8353 8.2496 124.7163 52.5221 43.6045 175.1487 46 E 4.7329 8.8592 126.5160 55.7736 30.9634 176.3733 47 G 3.7479 9.4726 108.4257 46.1887 0.0000 174.4037 48 K 4.7541 9.0470 122.0575 55.0938 33.0283 178.4373 49 K 5.4272 7.5941 120.8659 56.9413 36.1485 175.1576 50 I 4.8207 9.0207 128.5595 60.8511 39.3201 174.7292 51 I 5.1390 9.2396 126.3342 59.6057 40.6146 174.4917 52 L 5.1250 8.8981 126.1311 53.2622 45.0181 175.7807 53 D 4.6795 8.6485 121.2292 53.1507 44.1043 174.0842 54 I 4.8304 8.5803 124.7064 59.4429 40.2219 175.4812 55 K 4.9167 8.8845 124.0362 54.9262 35.2550 175.1981 56 A 4.9368 8.3980 126.6389 50.3009 22.0506 177.7432 57 T 3.7555 8.6441 116.4949 66.0805 69.1159 174.1554 58 D 5.4278 7.6695 118.7189 50.8965 42.7462 175.9295 59 S 4.2664 8.4201 112.5813 61.0756 63.3965 176.2435 60 S 4.0172 8.0655 116.1412 61.1047 61.7972 175.7340 61 A 3.9783 9.7715 124.2152 55.0488 18.1876 179.2517 62 L 3.8687 7.7615 118.3768 58.2805 42.1151 178.8691 63 R 3.9054 8.0978 118.7302 59.7341 29.7988 178.6455 64 G 3.6727 7.7864 103.9602 47.9743 0.0000 175.4553 65 T 3.9946 7.5620 117.1624 66.6835 68.4752 176.7001 66 V 3.5791 7.6177 119.8968 66.3271 31.4876 177.7244 67 N 4.2317 8.0831 115.9856 56.4150 38.2330 177.3687 68 S 3.3652 7.7137 116.4506 61.4136 62.7342 176.2458 69 Y 3.7814 7.3874 118.3233 61.2127 37.4013 178.7088 70 L 4.0172 8.2437 119.8677 57.5065 41.8041 179.2638 71 R 4.1156 7.6473 118.1315 58.1304 30.0919 178.4258 72 W 4.5653 8.0541 119.3902 59.7333 28.9953 178.5745 73 I 3.9218 8.3350 120.1180 64.4209 36.7223 178.4728 74 K 4.0761 7.9902 119.4707 59.1249 31.6646 178.6558 75 A 3.9984 7.4786 119.3249 55.8785 18.7313 178.6228 76 A 3.7614 8.6116 117.8843 55.1497 17.3297 180.4309 77 I 3.5961 7.9852 115.3333 63.7878 37.4768 178.0345 78 D 4.5256 7.7849 118.0939 57.4602 40.6744 178.6372 79 V 3.6703 7.7474 118.0242 65.7520 31.6607 175.8541 80 I 3.8682 7.1720 120.0637 61.9145 37.0626 175.7390 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 5 R 8.15 4.99 0.00 1.98 2.00 0.00 2.73 0.00 0.00 4.01 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 6 V 8.68 4.38 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 0.86 0.00 0.00 0.96 0.00 0.00 7 Q 8.96 5.14 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 8 A 9.00 4.76 1.14 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 9 K 8.45 5.26 0.00 1.72 1.67 0.00 1.59 0.00 0.00 2.37 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.64 7.81 10 I 8.39 4.72 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.41 0.92 0.00 0.00 11 E 8.79 5.59 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 12 M 8.74 4.64 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.15 0.00 13 E 8.60 4.74 0.00 1.96 1.80 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 2.27 2.51 0.00 14 F 9.07 4.85 0.00 3.04 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 15 P 0.00 4.37 0.00 2.11 2.17 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 16 S 7.72 4.89 0.00 3.98 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 17 E 8.52 4.14 0.00 2.05 2.03 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 2.42 2.31 0.00 18 D 7.91 4.43 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.49 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 1.00 0.00 0.00 1.04 0.00 0.00 20 A 7.32 3.03 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 21 K 7.65 3.62 0.00 1.87 1.81 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.58 7.81 22 V 7.90 3.52 2.02 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 0.78 0.00 0.00 1.02 0.00 0.00 23 V 7.74 3.61 1.91 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 1.13 0.00 0.00 0.80 0.00 0.00 24 Y 8.32 3.94 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.34 3.89 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 26 A 8.10 4.02 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 27 V 7.70 3.38 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 1.52 0.00 0.00 1.25 0.00 0.00 28 L 8.14 3.65 0.00 0.99 1.33 0.68 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.75 3.92 0.00 3.02 2.88 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 30 E 7.41 3.70 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.47 0.00 31 H 8.64 4.14 0.00 3.54 3.64 0.00 5.58 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 32 L 7.76 4.10 0.00 1.64 1.69 0.73 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.64 4.38 0.00 4.05 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 34 V 6.98 3.69 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.28 0.00 0.00 35 P 0.00 4.44 0.00 2.44 2.22 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 36 Y 7.94 4.63 0.00 2.93 2.93 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 37 R 8.03 4.66 0.00 1.80 2.06 0.00 3.37 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 38 R 8.38 3.97 0.00 1.95 2.12 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 39 S 7.39 4.66 0.00 4.08 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 40 E 8.76 4.60 0.00 2.01 1.90 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 2.28 2.34 0.00 41 I 8.36 4.83 1.62 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.30 0.20 0.00 0.00 42 D 8.67 4.93 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.01 5.57 0.00 3.22 2.92 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 44 K 9.49 4.86 0.00 1.82 1.66 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.52 7.81 45 L 8.25 4.84 0.00 0.52 1.08 0.51 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.86 4.73 0.00 2.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 47 G 9.47 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.05 4.75 0.00 2.10 2.15 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 49 K 7.59 5.43 0.00 1.89 1.72 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.38 7.81 50 I 9.02 4.82 2.28 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 1.40 0.00 0.00 51 I 9.24 5.14 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.18 0.97 0.00 0.00 52 L 8.90 5.12 0.00 1.51 1.43 0.30 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.65 4.68 0.00 2.54 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.58 4.83 1.80 0.00 0.00 0.75 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 0.42 0.88 0.00 0.00 55 K 8.88 4.92 0.00 1.65 1.68 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.35 7.81 56 A 8.40 4.94 1.26 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 0.00 0.00 0.00 57 T 8.64 3.76 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 1.21 0.00 0.00 58 D 7.67 5.43 0.00 2.76 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 59 S 8.42 4.27 0.00 4.06 4.14 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 60 S 8.07 4.02 0.00 3.90 3.97 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 61 A 9.77 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 3.87 0.00 1.83 1.88 0.88 0.69 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 63 R 8.10 3.91 0.00 2.07 2.09 0.00 3.14 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 64 G 7.79 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.56 3.99 4.36 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 1.22 0.00 0.00 66 V 7.62 3.58 2.18 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 1.09 0.00 0.00 0.93 0.00 0.00 67 N 8.08 4.23 0.00 2.87 2.74 0.00 0.00 7.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.71 3.37 0.00 3.25 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.39 3.78 0.00 2.92 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 70 L 8.24 4.02 0.00 1.88 1.73 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.65 4.12 0.00 2.07 1.74 0.00 3.01 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 72 W 8.05 4.57 0.00 3.65 3.07 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 0.00 73 I 8.34 3.92 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 1.20 0.00 0.00 74 K 7.99 4.08 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.50 7.81 75 A 7.48 4.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 3.76 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.99 3.60 1.99 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.32 1.01 0.00 0.00 78 D 7.78 4.53 0.00 2.92 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 79 V 7.75 3.67 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 0.83 0.00 0.00 1.02 0.00 0.00 80 I 7.17 3.87 2.10 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.93 0.00 0.00