NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2940 8.2931 120.3281 56.1824 33.3997 172.5709 2 G 3.6949 8.7867 114.2430 43.9342 0.0000 172.2262 3 D 4.6534 8.5297 125.4281 53.3142 42.0919 173.5609 4 G 3.9915 7.6956 104.8752 45.2827 0.0000 173.1723 5 V 4.4216 7.9111 112.6806 59.2768 35.7691 174.9211 6 L 4.7729 8.1998 122.6900 53.6306 46.0657 174.3482 7 E 5.3851 8.8859 124.6378 54.5334 32.3208 174.6370 8 L 5.1892 8.9348 124.2394 53.8162 44.0087 175.7207 9 V 4.2011 8.9133 123.3056 62.8551 32.5104 175.2957 10 V 4.7566 8.7578 123.8704 59.8489 31.5393 173.6062 11 R 3.9965 8.9382 123.8098 55.9914 30.6381 175.9851 12 G 3.6514 8.9188 116.6360 45.8392 0.0000 173.6072 13 M 3.4316 7.0755 119.1004 54.3175 31.1108 176.6914 14 T 4.4038 7.9511 117.8596 60.6478 68.3457 172.6304 15 C 4.7383 7.7761 113.7535 54.9874 33.9874 173.4982 16 A 3.8647 8.6322 122.4011 55.5551 17.5522 179.8140 17 S 3.5468 7.8895 110.7261 61.7512 62.4695 176.0783 18 C 4.2786 7.9789 118.8126 62.8435 27.8373 175.6435 19 V 3.5039 7.9073 120.1371 66.7337 30.9565 177.8842 20 H 4.3510 8.5869 114.7534 58.2526 28.3921 177.0643 21 K 3.9082 8.5543 122.9769 59.8553 31.9842 178.4939 22 I 3.7743 8.1741 119.7207 64.4382 37.1665 178.0918 23 E 3.8673 8.5691 119.4930 59.8108 29.1951 179.8566 24 S 4.1907 8.0119 114.9388 61.2004 62.9917 176.5136 25 S 4.2427 7.9684 114.5858 61.1358 62.4951 176.0253 26 L 4.2827 8.4289 122.5343 57.3167 42.8101 177.9219 27 T 4.3862 7.8203 111.3960 60.0978 64.5393 172.7543 28 K 4.3104 7.2748 128.5766 58.3817 38.0080 176.7209 29 H 4.3974 7.8428 116.1700 54.6188 29.0589 175.1739 30 R 4.1010 8.4680 122.5753 57.7964 30.8087 174.8250 31 G 4.2541 9.0667 108.6160 46.8028 0.0000 173.3777 32 I 4.2873 7.0625 120.0492 60.4296 37.7858 175.3012 33 L 4.3263 9.0701 129.5907 57.6670 42.3528 177.4361 34 Y 4.8416 7.8270 118.7013 56.5908 42.1143 173.1428 35 C 4.9571 8.1027 121.4174 57.3811 31.9516 172.6694 36 S 4.6174 8.2474 113.5072 57.3233 65.8998 173.2787 37 V 4.9638 9.2825 117.8944 59.4840 35.0260 175.0408 38 A 4.7570 9.0129 125.5485 50.0954 21.7745 177.3499 39 L 3.8350 8.7326 122.0727 58.0182 41.4141 178.9082 40 A 3.9645 8.2248 122.0710 55.0009 18.0913 178.2327 41 T 4.3960 7.7115 101.7900 60.9666 69.7836 174.2636 42 N 4.0770 7.9231 118.7872 54.7205 36.6365 173.4254 43 K 5.1371 8.2486 118.6643 55.0049 36.4849 176.4973 44 A 5.0735 9.1293 124.1627 50.3750 21.9842 174.5226 45 H 5.3758 9.2517 119.1058 53.9181 31.2487 173.7569 46 I 4.7026 8.6292 123.4365 59.1672 39.6762 175.8332 47 K 4.8155 9.1665 131.6659 55.4650 30.0873 175.7506 48 Y 5.0532 7.6558 119.4453 55.8731 38.7595 176.3089 49 D 4.4569 9.1743 122.9915 53.6499 41.9509 175.6441 50 P 4.9254 0.0000 0.0000 62.8373 31.1924 175.8349 51 E 4.5908 7.8250 117.6515 58.9142 32.7207 177.7559 52 I 3.9885 7.7684 111.5828 62.7909 38.3754 175.8916 53 I 4.6373 7.3441 118.4729 58.2239 41.0910 174.4115 54 G 4.2771 9.2273 112.8837 41.6754 0.0000 172.4983 55 P 4.1882 0.0000 0.0000 65.6410 31.0211 178.1574 56 R 3.6995 8.0291 118.1060 59.5511 29.8032 177.9577 57 D 4.1716 7.7758 117.5391 57.3166 40.9063 178.4564 58 I 3.5233 7.3850 120.2397 64.4457 37.0820 178.2126 59 I 3.6668 8.0700 120.6548 64.9817 36.9181 178.1421 60 H 4.2658 8.2571 116.8138 59.1442 28.3007 177.9689 61 T 3.8338 8.0797 116.7400 66.8316 68.5609 176.4492 62 I 3.9168 8.1570 121.9840 64.2796 37.1175 177.8681 63 E 4.1484 8.5363 121.9611 58.9452 29.1769 179.0824 64 S 4.2304 8.1433 113.8912 61.2257 62.9289 175.9392 65 L 4.1587 7.9661 120.0898 54.5548 41.9650 176.7599 66 G 3.6014 8.9386 107.1481 45.5952 0.0000 173.4505 67 F 5.1909 7.6082 115.7174 55.4774 44.1047 174.0056 68 E 4.5781 9.4299 125.0026 54.6832 30.4528 173.1299 69 P 5.2117 0.0000 0.0000 62.1125 33.3448 175.6332 70 S 4.7537 8.7470 118.2487 56.5791 67.3228 173.4917 71 L 4.4826 8.7314 125.7013 56.6070 40.3475 176.2243 72 V 4.1598 8.8189 121.1754 64.3094 34.4767 174.8207 73 K 3.8437 8.0442 121.5975 56.8880 29.1434 174.2518 74 I 3.7988 8.7364 123.5838 62.0018 37.5131 176.3397 75 E 4.1232 8.5456 127.3311 57.3922 29.2676 177.2973 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 M 8.29 4.29 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 G 8.79 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 3 D 8.53 4.65 0.00 2.77 2.71 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 4 G 7.70 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 0.00 0.00 0.00 5 V 7.91 4.42 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 0.78 0.00 0.00 0.87 0.00 0.00 6 L 8.20 4.77 0.00 1.71 1.55 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.89 5.39 0.00 2.05 1.86 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 0.00 2.34 2.29 0.00 8 L 8.93 5.19 0.00 1.67 1.77 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.91 4.20 2.09 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 0.91 0.00 0.00 0.94 0.00 0.00 10 V 8.76 4.76 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 0.76 0.00 0.00 0.93 0.00 0.00 11 R 8.94 4.00 0.00 1.83 1.88 0.00 3.16 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 12 G 8.92 3.65 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 0.00 0.00 0.00 13 M 7.08 3.43 0.00 0.51 0.84 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 14 T 7.95 4.40 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 1.19 0.00 0.00 15 C 7.78 4.74 0.00 3.10 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 16 A 8.63 3.86 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 17 S 7.89 3.55 0.00 3.85 3.86 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 0.00 0.00 0.00 0.00 18 C 7.98 4.28 0.00 2.96 2.53 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 19 V 7.91 3.50 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 1.09 0.00 0.00 0.90 0.00 0.00 20 H 8.59 4.35 0.00 3.32 3.54 0.00 5.36 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.55 3.91 0.00 2.19 2.24 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.58 7.81 22 I 8.17 3.77 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.68 0.94 0.00 0.00 23 E 8.57 3.87 0.00 1.94 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 0.00 2.21 2.47 0.00 24 S 8.01 4.19 0.00 3.86 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 25 S 7.97 4.24 0.00 3.99 4.05 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 26 L 8.43 4.28 0.00 1.88 1.69 1.02 0.68 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 27 T 7.82 4.39 4.21 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 1.13 0.00 0.00 28 K 7.27 4.31 0.00 1.80 1.89 0.00 1.49 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.64 7.81 29 H 7.84 4.40 0.00 3.39 3.47 0.00 5.48 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.47 4.10 0.00 1.85 1.96 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 31 G 9.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.06 4.29 1.51 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.83 0.00 0.00 33 L 9.07 4.33 0.00 1.72 1.76 0.99 0.77 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 34 Y 7.83 4.84 0.00 3.00 2.77 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 35 C 8.10 4.96 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.62 0.00 3.66 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.28 4.96 2.10 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 0.62 0.00 0.00 0.90 0.00 0.00 38 A 9.01 4.76 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 0.00 0.00 39 L 8.73 3.84 0.00 1.82 1.86 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.22 3.96 1.31 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 41 T 7.71 4.40 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 42 N 7.92 4.08 0.00 2.79 3.02 0.00 0.00 6.58 7.20 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 43 K 8.25 5.14 0.00 1.80 1.89 0.00 1.28 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.37 7.81 44 A 9.13 5.07 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 45 H 9.25 5.38 0.00 3.15 3.46 0.00 5.22 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.63 4.70 2.12 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 1.31 1.20 1.16 0.00 0.00 47 K 9.17 4.82 0.00 2.00 1.82 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.84 7.81 48 Y 7.66 5.05 0.00 3.01 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 49 D 9.17 4.46 0.00 2.68 2.74 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 50 P 0.00 4.93 0.00 2.15 1.90 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 51 E 7.83 4.59 0.00 1.95 1.95 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 2.22 2.30 0.00 52 I 7.77 3.99 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.59 0.94 0.00 0.00 53 I 7.34 4.64 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.93 0.95 0.00 0.00 54 G 9.23 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 0.00 0.00 0.00 0.00 55 P 0.00 4.19 0.00 2.30 2.45 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 56 R 8.03 3.70 0.00 1.83 1.90 0.00 3.20 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 57 D 7.78 4.17 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.39 3.52 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.13 0.89 0.00 0.00 59 I 8.07 3.67 2.02 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 1.69 0.57 0.94 0.00 0.00 60 H 8.26 4.27 0.00 3.24 3.29 0.00 5.63 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 61 T 8.08 3.83 4.35 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 1.17 0.00 0.00 62 I 8.16 3.92 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 1.12 0.00 0.00 63 E 8.54 4.15 0.00 2.17 1.96 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 2.34 2.39 0.00 64 S 8.14 4.23 0.00 4.01 3.89 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 65 L 7.97 4.16 0.00 1.55 1.54 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.61 5.19 0.00 2.93 2.68 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 68 E 9.43 4.58 0.00 2.04 1.87 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 2.29 2.42 0.00 69 P 0.00 5.21 0.00 2.14 2.07 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 70 S 8.75 4.75 0.00 3.79 3.76 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 71 L 8.73 4.48 0.00 1.69 1.73 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.82 4.16 2.10 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 0.78 0.00 0.00 1.01 0.00 0.00 73 K 8.04 3.84 0.00 1.91 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 74 I 8.74 3.80 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.91 0.00 0.00 75 E 8.55 4.12 0.00 1.93 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 2.32 2.39 0.00