NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8992 8.3393 109.7270 45.1694 0.0000 174.1914 -1 S 4.0116 8.5890 113.9696 59.4288 63.1684 173.1353 0 H 4.6287 7.6859 116.5063 53.7777 30.4167 175.8709 1 M 4.1813 8.4025 120.5884 55.1468 31.9613 176.1753 2 V 4.1728 7.9699 115.1392 59.8587 33.1755 175.9259 3 E 3.9771 8.6031 122.4031 56.6304 29.8607 176.9722 4 M 4.0749 8.4828 121.8539 55.5661 32.7531 176.2033 5 R 4.2034 8.2129 121.7571 55.7816 30.9507 176.0454 6 M 4.3584 8.4813 116.2570 56.3537 31.8001 175.3878 7 K 4.7276 8.8651 118.7225 54.9785 36.5912 174.3536 8 K 4.6620 8.7667 120.0386 54.3485 36.1489 174.7855 9 C 4.6361 8.6549 127.3144 58.5752 31.9738 172.4353 10 P 4.4824 0.0000 0.0000 64.1880 31.4430 177.1138 11 K 4.2558 7.9615 118.0880 58.2681 33.0747 176.4664 12 C 4.4755 7.9794 112.7298 62.4791 29.6976 175.0356 13 G 3.9612 7.3110 106.8715 45.3211 0.0000 172.9456 14 L 4.5387 7.9810 122.2946 53.9605 43.5714 175.1898 15 Y 4.7919 8.6409 123.5006 57.9107 39.3433 174.3349 16 T 4.1415 8.3120 115.7383 62.0801 71.8528 173.0499 17 L 4.9222 8.6461 121.6658 54.5904 41.9430 177.5153 18 K 4.2196 7.9980 117.5202 55.9151 32.5720 177.6322 19 E 4.2784 8.2435 116.7665 56.1870 27.2547 173.6061 20 I 4.8095 7.2552 117.2259 59.7232 41.4387 174.4274 21 C 4.3914 8.7865 125.2005 57.5443 31.1165 172.5445 22 P 4.4387 0.0000 0.0000 64.2465 31.2503 177.5754 23 K 4.0997 7.9459 120.7183 58.8855 32.5961 176.8765 24 C 4.3970 7.8649 111.7553 58.8177 30.9369 174.4476 25 G 4.1616 8.1669 108.5129 45.0569 0.0000 172.2727 26 E 4.6936 8.1010 119.8105 53.4075 32.1170 175.1497 27 K 4.4438 8.2377 125.7088 57.5687 33.0909 176.5063 28 T 4.4909 8.4914 113.6468 60.9611 71.1159 174.0479 29 V 4.7564 8.6255 115.7804 59.1528 36.3419 175.2826 30 I 4.0298 8.3444 123.6178 60.9884 36.8765 174.8410 31 P 4.3231 0.0000 0.0000 64.5172 31.7085 176.7654 32 K 4.4413 7.5832 120.3805 53.6139 31.2498 173.0160 33 P 4.5010 0.0000 0.0000 60.7248 32.5886 175.1895 34 P 4.0847 0.0000 0.0000 62.7458 31.6071 176.2249 35 K 4.1887 8.1910 122.0806 56.6027 33.3143 176.2079 36 F 4.7952 6.9998 113.5305 55.0730 38.6248 174.7775 37 S 4.7365 8.4677 122.2321 56.3155 64.4400 174.4394 38 L 4.2525 8.8549 126.5041 56.9964 41.4175 177.8551 39 E 4.4246 7.9071 114.1704 55.7954 31.4326 175.9920 40 D 4.4523 8.2457 116.5797 54.8157 39.7477 175.5317 41 R 4.0132 7.6151 114.7825 58.7488 30.1209 178.0491 42 W 4.6552 8.3165 114.4178 56.5127 29.4934 178.1903 43 G 3.7656 8.0667 108.5455 46.3030 0.0000 175.7134 44 K 4.0017 8.7261 122.2014 59.2427 32.7710 177.8107 45 Y 3.7949 8.2043 119.2357 60.6168 38.5031 177.8912 46 R 3.9868 8.4939 120.1153 59.7081 29.7805 178.5606 47 R 3.9965 8.0631 117.3200 58.2533 29.9897 177.0455 48 M 4.4863 7.6064 116.9988 54.9932 32.5184 176.1069 49 L 4.2336 7.5384 121.5039 55.9246 42.7029 177.3882 50 K 3.9277 7.9807 117.7148 57.3880 32.4738 175.9663 51 R 4.5134 8.2974 120.5630 54.6471 34.3419 174.1942 52 A 4.5211 8.3309 121.9198 50.7766 19.1966 176.5402 53 L 4.3558 8.0965 123.8962 54.5544 44.6070 174.7815 54 K 4.3322 8.6700 128.2843 55.1820 32.9144 175.1233 55 N 5.1224 8.5800 122.7100 50.6326 40.3630 173.2834 56 K 4.5541 8.2720 117.8076 54.6290 34.3951 176.0218 57 N 4.6078 8.6468 120.8746 52.4464 38.1855 174.2556 58 K 4.5574 8.2154 118.1431 54.3151 35.0922 175.9276 59 A 4.2092 8.4334 126.0165 51.7242 19.1281 177.4096 60 E 4.1607 8.7340 121.5255 56.6828 29.5659 176.8777 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 -2 G 8.34 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 -1 S 8.59 4.01 0.00 4.07 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 0 H 7.69 4.63 0.00 3.23 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.40 4.18 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 V 7.97 4.17 2.08 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 0.81 0.00 0.00 0.91 0.00 0.00 3 E 8.60 3.98 0.00 1.96 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 2.32 2.32 0.00 4 M 8.48 4.07 0.00 1.97 1.98 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 2.57 2.52 0.00 5 R 8.21 4.20 0.00 1.86 1.94 0.00 3.47 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 6 M 8.48 4.36 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.73 0.00 7 K 8.87 4.73 0.00 1.79 1.95 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 8 K 8.77 4.66 0.00 0.79 1.16 0.00 1.52 0.00 0.00 0.99 0.00 0.00 2.59 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.90 0.33 7.81 9 C 8.65 4.64 0.00 3.00 2.81 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 0.00 0.00 0.00 0.00 10 P 0.00 4.48 0.00 2.19 2.12 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 11 K 7.96 4.26 0.00 1.72 1.88 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.49 7.81 12 C 7.98 4.48 0.00 2.92 2.94 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 0.00 0.00 0.00 13 G 7.31 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 14 L 7.98 4.54 0.00 1.80 1.53 0.99 0.93 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 15 Y 8.64 4.79 0.00 2.86 2.89 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 0.00 0.00 0.00 16 T 8.31 4.14 4.27 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 1.25 0.00 0.00 17 L 8.65 4.92 0.00 1.65 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.00 4.22 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.55 7.81 19 E 8.24 4.28 0.00 2.19 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 2.30 2.28 0.00 20 I 7.26 4.81 1.87 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 1.35 0.79 0.91 0.00 0.00 21 C 8.79 4.39 0.00 2.95 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 22 P 0.00 4.44 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.79 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 23 K 7.95 4.10 0.00 1.72 1.86 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.48 7.81 24 C 7.86 4.40 0.00 3.10 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 25 G 8.17 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 0.00 0.00 0.00 0.00 26 E 8.10 4.69 0.00 2.07 1.77 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 2.26 2.35 0.00 27 K 8.24 4.44 0.00 1.65 1.75 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.41 7.81 28 T 8.49 4.49 4.18 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 1.22 0.00 0.00 29 V 8.63 4.76 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 0.64 0.00 0.00 0.96 0.00 0.00 30 I 8.34 4.03 1.86 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 1.47 0.74 0.93 0.00 0.00 31 P 0.00 4.32 0.00 2.21 2.01 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.76 0.00 32 K 7.58 4.44 0.00 1.76 1.78 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.41 7.81 33 P 0.00 4.50 0.00 2.19 2.04 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 34 P 0.00 4.08 0.00 2.02 1.92 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 35 K 8.19 4.19 0.00 1.90 1.98 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.55 7.81 36 F 7.00 4.80 0.00 3.14 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 37 S 8.47 4.74 0.00 3.87 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 38 L 8.85 4.25 0.00 1.67 1.77 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.91 4.42 0.00 2.10 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 0.00 2.28 2.23 0.00 40 D 8.25 4.45 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 41 R 7.62 4.01 0.00 2.11 2.20 0.00 3.43 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 42 W 8.32 4.66 0.00 3.19 3.30 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 43 G 8.07 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 0.00 0.00 0.00 44 K 8.73 4.00 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.54 7.81 45 Y 8.20 3.79 0.00 2.90 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 46 R 8.49 3.99 0.00 2.05 2.03 0.00 3.21 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 47 R 8.06 4.00 0.00 1.94 1.91 0.00 3.30 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 48 M 7.61 4.49 0.00 1.35 1.71 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 49 L 7.54 4.23 0.00 1.98 1.85 1.34 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.98 3.93 0.00 1.89 1.83 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.45 7.81 51 R 8.30 4.51 0.00 1.79 1.85 0.00 3.34 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 52 A 8.33 4.52 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 53 L 8.10 4.36 0.00 1.56 1.54 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.67 4.33 0.00 1.74 1.70 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.48 7.81 55 N 8.58 5.12 0.00 2.82 2.76 0.00 0.00 6.10 7.14 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 56 K 8.27 4.55 0.00 1.85 1.83 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.38 7.81 57 N 8.65 4.61 0.00 2.84 2.87 0.00 0.00 6.04 7.14 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 58 K 8.22 4.56 0.00 1.72 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.38 7.81 59 A 8.43 4.21 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 60 E 8.73 4.16 0.00 1.97 1.88 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 2.32 2.25 0.00