NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6485 8.3249 119.4719 57.3449 40.3916 173.8983 2 E 4.5240 8.4572 121.8546 53.4352 32.3799 174.5300 3 N 4.5623 9.5095 121.8035 53.8802 39.3668 174.2638 4 R 4.6542 8.3350 125.0799 56.0124 31.1790 178.7888 5 V 3.6146 8.3174 120.7769 66.1628 31.3940 177.6199 6 A 4.4149 7.9694 121.3074 54.5967 18.1791 179.3729 7 E 3.9139 8.1141 116.6077 59.6446 29.6821 179.5655 8 K 4.1933 7.9774 118.2688 59.5412 31.6016 179.5293 9 Q 4.1286 8.7366 119.0061 58.6386 28.4677 178.6583 10 K 3.9767 8.1114 120.8022 59.3495 31.8685 178.5882 11 L 3.7840 7.8888 120.5964 58.1194 41.8153 178.3716 12 F 4.4446 8.0787 114.2656 58.3892 39.2302 176.5674 13 Q 4.6232 7.4179 116.4930 54.1275 29.5968 175.1719 14 E 3.8924 7.2151 121.1331 56.5509 30.1942 177.6044 15 D 4.6807 8.5310 127.5446 53.7129 39.0928 174.9736 16 N 4.7565 7.9085 114.5989 51.4729 38.4204 176.4673 17 G 3.8960 8.1477 105.7090 46.0878 0.0000 173.8680 18 L 4.2170 7.8532 120.1099 53.2118 42.4780 175.3727 19 P 4.4899 0.0000 0.0000 62.0961 32.4341 177.4187 20 V 3.6963 8.6459 120.0181 65.4353 30.9675 177.4991 21 H 4.6409 8.1954 112.8635 56.5803 28.8654 175.2834 22 L 4.7278 8.1554 119.1986 54.1682 43.3607 177.8927 23 K 4.1093 7.8049 118.2545 58.1178 32.1777 177.6520 24 G 3.6958 8.9042 107.1451 46.7076 0.0000 172.4725 25 G 3.6765 7.6777 104.6803 44.1186 0.0000 173.6526 26 A 4.0123 8.9735 120.1480 55.9419 18.0985 180.2533 27 T 3.8946 7.8923 113.4850 66.7582 68.4728 176.3507 28 D 4.4590 8.0202 120.5484 57.5209 40.8416 178.6784 29 N 4.4519 8.1384 116.3346 56.3767 38.5956 177.3793 30 I 3.7282 7.7015 120.8034 64.3749 37.2338 178.2620 31 L 3.9575 8.3707 121.5953 58.1868 41.8823 178.3494 32 Y 4.0956 8.3681 119.6535 60.9501 38.8269 178.3731 33 R 3.6739 8.1753 118.9425 58.8588 30.0217 179.3562 34 V 3.5117 7.9186 118.2582 66.2041 31.5024 178.1013 35 T 3.7839 7.8382 115.4122 67.0647 68.2905 176.3689 36 M 3.8883 8.0823 120.2259 58.7394 32.0445 178.4517 37 T 3.8222 7.8758 116.1161 66.4893 68.5387 176.7854 38 L 3.9853 8.0557 121.0475 57.8065 41.6011 179.4017 39 C 4.1298 8.2942 116.8834 62.8824 28.1613 176.2362 40 L 4.1039 8.2010 120.8770 57.7011 41.1433 179.8609 41 G 3.7068 8.5286 106.2632 47.8277 0.0000 176.0407 42 G 3.7387 8.4277 108.6157 47.7809 0.0000 175.9994 43 T 4.0181 7.9747 118.0562 66.3765 68.4536 176.9556 44 L 4.0599 8.1334 121.0184 58.0176 41.6419 178.8654 45 Y 4.4250 8.5294 120.1106 60.8377 38.6457 178.3909 46 S 3.9597 8.2453 115.2838 61.2537 63.0420 176.5454 47 L 3.9917 8.0052 122.7262 57.5605 41.2685 178.7091 48 Y 4.1230 8.2689 119.5772 61.0444 38.7128 177.9537 49 C 3.8723 8.0890 117.6386 62.6186 28.1473 175.9464 50 L 4.0152 8.1480 122.1327 58.0374 41.4704 179.2031 51 G 3.6864 8.0399 104.8014 47.5377 0.0000 175.1509 52 W 4.2271 8.2135 130.7585 60.1717 30.6012 177.7924 53 A 3.7841 8.2069 118.6920 54.0873 17.9547 179.2982 54 S 3.8827 7.8528 113.1490 59.4056 63.1774 174.2934 55 F 4.6615 6.6255 118.4802 54.3384 41.1571 173.6695 56 P 4.3108 0.0000 0.0000 63.1723 31.8271 175.9330 57 H 4.7145 8.1991 117.0482 57.5427 29.6867 174.3065 58 K 4.3311 8.0870 124.1012 56.9981 32.0159 174.6687 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 F 8.32 4.65 0.00 2.94 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.46 4.52 0.00 2.01 1.85 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 2.22 2.38 0.00 3 N 9.51 4.56 0.00 2.71 2.79 0.00 0.00 6.89 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 4 R 8.33 4.65 0.00 1.90 1.91 0.00 3.56 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 1.84 1.56 0.00 5 V 8.32 3.61 2.22 0.00 0.00 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 0.95 0.00 0.00 6 A 7.97 4.41 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.91 0.00 2.25 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 0.00 2.41 2.42 0.00 8 K 7.98 4.19 0.00 1.99 2.07 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.75 7.81 9 Q 8.74 4.13 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 10 K 8.11 3.98 0.00 1.97 1.94 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.89 3.78 0.00 1.66 1.58 0.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.08 4.44 0.00 3.20 3.12 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 0.00 0.00 0.00 13 Q 7.42 4.62 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 14 E 7.22 3.89 0.00 2.08 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 2.29 2.22 0.00 15 D 8.53 4.68 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.91 4.76 0.00 2.78 2.83 0.00 0.00 6.35 7.00 0.00 0.00 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 G 8.15 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 18 L 7.85 4.22 0.00 1.77 1.57 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.49 0.00 2.21 2.17 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 20 V 8.65 3.70 2.11 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 0.85 0.00 0.00 0.92 0.00 0.00 21 H 8.20 4.64 0.00 3.30 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.16 4.73 0.00 1.62 1.58 0.74 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.80 4.11 0.00 2.03 2.15 0.00 2.06 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.36 1.33 7.81 24 G 8.90 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.68 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 26 A 8.97 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 3.89 4.28 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 1.24 0.00 0.00 28 D 8.02 4.46 0.00 2.97 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 29 N 8.14 4.45 0.00 2.96 2.93 0.00 0.00 7.13 7.42 0.00 0.00 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 I 7.70 3.73 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.93 0.00 0.00 31 L 8.37 3.96 0.00 1.91 1.74 0.94 0.75 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 32 Y 8.37 4.10 0.00 3.20 3.28 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 33 R 8.18 3.67 0.00 2.02 1.92 0.00 3.30 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 34 V 7.92 3.51 2.21 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 1.08 0.00 0.00 0.94 0.00 0.00 35 T 7.84 3.78 4.30 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 1.20 0.00 0.00 36 M 8.08 3.89 0.00 1.60 1.48 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 37 T 7.88 3.82 4.32 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 1.17 0.00 0.00 38 L 8.06 3.99 0.00 1.82 1.70 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.29 4.13 0.00 3.07 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 40 L 8.20 4.10 0.00 1.71 1.71 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.53 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 0.00 0.00 0.00 43 T 7.97 4.02 4.42 0.00 0.00 0.00 0.00 0.00 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 L 8.13 4.06 0.00 1.92 1.79 0.95 0.58 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 45 Y 8.53 4.42 0.00 3.03 3.23 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 46 S 8.25 3.96 0.00 4.07 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 47 L 8.01 3.99 0.00 1.99 1.81 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.27 4.12 0.00 3.19 3.28 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 49 C 8.09 3.87 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 50 L 8.15 4.02 0.00 1.84 1.85 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.04 3.69 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 0.00 0.00 0.00 52 W 8.21 4.23 0.00 2.91 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 53 A 8.21 3.78 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 54 S 7.85 3.88 0.00 3.73 3.27 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 55 F 6.63 4.66 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.31 0.00 2.11 1.96 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 57 H 8.20 4.71 0.00 3.04 3.31 0.00 5.97 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.09 4.33 0.00 1.82 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.36 7.81