NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8139 8.3249 119.5057 57.7313 40.3273 174.1284 4 R 4.4439 8.5122 118.4204 55.9381 32.6573 174.9791 5 I 4.3061 8.5655 120.5736 61.0452 39.6077 175.0478 6 R 5.3279 9.1741 124.0821 54.7297 35.3209 174.2205 7 K 5.5775 8.7275 118.5138 54.2813 36.9239 175.5112 8 C 4.4647 8.8316 121.9054 57.1887 39.1586 172.7982 9 P 4.1477 0.0000 0.0000 65.4819 31.3837 178.9079 10 K 4.2601 8.0992 116.1966 59.0919 32.3268 176.3590 11 C 4.6575 7.8697 112.9242 54.1678 43.2304 175.7538 12 G 3.5831 8.2798 108.6712 45.2588 0.0000 173.9010 13 R 4.0929 7.2728 119.6035 57.0305 31.1994 175.1657 14 Y 5.6191 8.1563 120.6037 56.6803 40.4374 174.2984 15 T 4.2499 8.0413 114.1527 62.5469 70.3712 173.1162 16 L 4.6832 8.6705 122.2547 55.0636 43.3972 177.7412 17 K 4.2753 8.1246 117.8336 56.4557 32.6670 176.6909 18 E 4.6020 8.5643 118.6504 56.3507 30.7222 175.9923 19 V 4.6863 7.5369 118.9767 60.8400 34.2979 174.9119 20 C 4.1586 8.3787 123.7002 59.6837 27.7561 172.0478 21 P 4.1317 0.0000 0.0000 65.2506 31.3013 177.5137 22 V 4.2171 6.9588 121.7926 59.9119 31.5889 173.6513 23 C 4.7310 7.6232 123.5699 58.1974 34.9101 173.3710 24 G 3.4845 8.8209 113.6029 47.6455 0.0000 176.8034 25 E 4.3559 8.5850 124.3710 55.5479 33.1841 175.9198 26 K 4.6967 8.4826 121.7703 56.3136 33.4533 177.9156 27 T 4.4547 8.6631 117.1212 61.6514 70.4789 173.4898 28 K 4.7743 8.4980 121.7241 54.0584 35.9768 175.8290 29 V 3.9947 8.4019 122.2202 63.7478 31.3180 175.6426 30 A 4.3308 9.2847 131.2312 55.2824 18.6859 178.0272 31 H 4.2795 8.2473 110.1124 54.8795 29.1255 173.5538 32 P 4.4458 0.0000 0.0000 61.4310 32.1034 174.3118 33 P 4.4016 0.0000 0.0000 62.6560 31.8874 176.3610 34 R 4.2546 8.2326 118.3295 55.9368 30.8409 175.8816 35 F 4.8015 8.6123 122.1917 56.2862 42.0677 174.3184 36 S 4.7932 7.4245 121.0651 55.3937 64.4406 173.0761 37 P 4.5335 0.0000 0.0000 65.8634 31.3610 177.2673 38 E 3.8042 8.4434 117.6118 58.3523 29.6722 176.7830 39 D 3.9473 7.9657 116.6943 54.4179 39.7009 172.5717 40 P 4.0971 0.0000 0.0000 64.9352 32.1777 177.4253 41 Y 4.8159 7.6616 113.2898 57.2008 39.3152 177.1880 42 G 3.8499 8.1855 110.3885 47.1252 0.0000 175.1799 43 E 3.9323 8.3747 121.0652 59.5645 29.4012 178.1629 44 Y 4.2846 8.2331 118.4388 60.9261 38.8692 177.7565 45 R 3.6568 7.9715 119.3520 59.8319 30.1393 178.6712 46 R 4.0278 8.6029 117.8559 58.8847 30.0906 178.9776 47 R 3.8120 7.7989 118.3657 59.1484 29.9127 177.9626 48 W 3.9542 7.8296 126.8650 60.6409 31.0198 177.7704 49 K 4.3233 8.5491 118.3747 59.4899 31.6359 179.2308 50 R 3.9151 8.3809 118.8517 59.7024 29.8450 178.5684 51 E 3.8394 7.6221 115.9946 59.6861 29.5297 179.5602 52 V 3.6921 7.2999 116.6081 64.1879 32.8424 175.9411 53 L 4.5657 7.5838 117.0121 58.7068 39.9482 179.7296 54 G 3.7304 7.1872 101.0477 47.6488 0.0000 173.4893 55 I 4.1633 7.4493 128.2645 61.7739 38.1413 175.5049 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 3 F 8.32 4.81 0.00 2.99 3.18 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 4 R 8.51 4.44 0.00 1.86 1.95 0.00 3.38 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 5 I 8.57 4.31 2.03 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 1.39 0.61 1.08 0.00 0.00 6 R 9.17 5.33 0.00 1.91 1.79 0.00 3.29 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 7 K 8.73 5.58 0.00 1.47 1.43 0.00 0.69 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.01 0.21 7.81 8 C 8.83 4.46 0.00 2.85 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 9 P 0.00 4.15 0.00 2.15 2.06 0.00 3.57 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 10 K 8.10 4.26 0.00 1.85 1.94 0.00 1.52 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.42 7.81 11 C 7.87 4.66 0.00 3.23 3.32 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 12 G 8.28 3.58 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 0.00 0.00 0.00 13 R 7.27 4.09 0.00 1.92 1.80 0.00 3.09 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 14 Y 8.16 5.62 0.00 2.87 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 15 T 8.04 4.25 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 1.31 0.00 0.00 16 L 8.67 4.68 0.00 1.68 1.70 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.12 4.28 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.43 7.81 18 E 8.56 4.60 0.00 1.93 1.98 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 2.36 2.15 0.00 19 V 7.54 4.69 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 0.81 0.00 0.00 0.93 0.00 0.00 20 C 8.38 4.16 0.00 2.93 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 21 P 0.00 4.13 0.00 2.07 2.10 0.00 3.89 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 2.05 2.03 0.00 22 V 6.96 4.22 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 0.80 0.00 0.00 0.94 0.00 0.00 23 C 7.62 4.73 0.00 2.91 2.75 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 24 G 8.82 3.48 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 0.00 0.00 0.00 25 E 8.58 4.36 0.00 1.93 1.92 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 2.39 2.30 0.00 26 K 8.48 4.70 0.00 1.76 1.68 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 T 8.66 4.45 4.31 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 1.22 0.00 0.00 28 K 8.50 4.77 0.00 1.67 1.67 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.31 7.81 29 V 8.40 3.99 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 0.64 0.00 0.00 0.92 0.00 0.00 30 A 9.28 4.33 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.28 0.00 3.26 3.40 0.00 5.53 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.45 0.00 2.19 2.09 0.00 3.56 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 2.00 2.08 0.00 33 P 0.00 4.40 0.00 2.19 2.05 0.00 3.74 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 1.99 1.96 0.00 34 R 8.23 4.25 0.00 1.83 1.92 0.00 3.09 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 35 F 8.61 4.80 0.00 2.92 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 36 S 7.42 4.79 0.00 3.77 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.27 2.28 0.00 3.84 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 2.00 2.04 0.00 38 E 8.44 3.80 0.00 1.86 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 2.25 2.32 0.00 39 D 7.97 3.95 0.00 2.50 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 40 P 0.00 4.10 0.00 1.11 1.63 0.00 3.53 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 41 Y 7.66 4.82 0.00 3.10 2.95 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 0.00 0.00 0.00 42 G 8.19 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 0.00 0.00 0.00 43 E 8.37 3.93 0.00 2.14 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 0.00 2.44 2.54 0.00 44 Y 8.23 4.28 0.00 3.17 3.31 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 45 R 7.97 3.66 0.00 2.00 2.04 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 46 R 8.60 4.03 0.00 2.14 1.99 0.00 3.22 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 1.68 1.68 0.00 47 R 7.80 3.81 0.00 2.12 2.03 0.00 3.25 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 48 W 7.83 3.95 0.00 3.10 3.08 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 49 K 8.55 4.32 0.00 1.89 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.63 7.81 50 R 8.38 3.92 0.00 2.06 2.09 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 51 E 7.62 3.84 0.00 1.85 1.74 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 2.23 2.34 0.00 52 V 7.30 3.69 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 0.90 0.00 0.00 0.78 0.00 0.00 53 L 7.58 4.57 0.00 1.75 1.63 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.19 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 55 I 7.45 4.16 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 1.27 0.98 0.91 0.00 0.00