NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.7793 8.0093 121.2506 60.1044 39.4797 175.0371 4 K 4.3725 7.3539 120.0351 55.0004 34.5913 170.8941 5 V 4.4631 8.7225 113.8683 59.9031 36.3403 176.8837 6 R 4.4149 8.2844 121.4234 54.5562 32.2468 174.4576 7 E 4.1075 8.3653 122.7570 55.1261 31.6928 174.9415 8 N 5.0538 7.7566 125.7841 53.1955 37.2752 176.2617 9 E 4.3294 9.1252 124.8430 58.8843 30.3006 174.2171 10 P 4.7422 0.0000 0.0000 59.1932 32.7069 176.6949 11 F 4.6815 8.5900 115.9756 58.6184 41.0391 172.9867 12 D 5.2154 8.1183 131.8389 56.2433 40.0400 177.6456 13 V 3.9458 7.3288 117.7263 60.7903 31.1977 176.1518 14 A 4.0616 8.4971 122.7272 55.0144 18.4629 179.8497 15 L 3.8696 7.8237 111.9549 55.9782 39.5884 176.1723 16 R 4.4654 7.1226 119.1691 55.4287 28.0878 176.7066 17 R 4.3873 7.6437 115.6859 56.5789 30.6968 178.7902 18 F 4.3493 8.0843 123.5028 60.9650 39.5253 177.4204 19 K 4.1276 8.0890 118.5319 58.5585 32.2145 177.6092 20 R 4.3936 7.5788 116.0926 56.3521 29.7495 176.7510 21 S 4.6877 7.6575 113.5510 58.8660 63.7737 173.3716 22 C 4.8647 7.2356 117.1880 60.6301 36.6754 178.5021 23 E 4.5161 8.1706 122.6361 55.0795 30.3385 175.5317 24 K 3.4917 8.7356 124.3459 57.9521 32.1572 177.7642 25 A 3.8829 8.8235 115.7715 54.8957 17.6023 178.6421 26 G 3.8764 7.1303 102.9115 47.6044 0.0000 174.4398 27 V 4.1439 7.4829 118.7005 63.4605 32.6746 178.8281 28 L 3.9590 8.7675 120.4980 57.6523 41.4842 178.6877 29 A 4.0604 7.5664 118.9617 53.5734 18.3521 178.0431 30 E 4.1258 7.1498 117.5686 58.7708 30.4974 177.8951 31 V 4.0627 7.6075 120.1296 61.9058 29.6756 176.3354 32 R 4.7352 7.6063 115.4792 56.0511 32.7945 174.5004 33 R 4.2173 7.7744 116.5834 55.2574 32.7112 174.4330 34 R 4.0177 8.5949 114.8355 56.2969 30.7256 176.9167 35 E 3.8618 8.8196 119.6526 58.0602 28.8585 176.4985 36 F 3.6837 7.6714 118.3403 53.6549 40.0105 179.5323 37 Y 3.3615 8.6481 126.5622 59.0852 37.8495 170.3633 38 E 4.6771 9.6701 113.9240 56.6236 30.8762 176.0992 39 K 4.4419 7.8940 119.1636 57.7314 33.3781 175.0189 40 P 4.3218 0.0000 0.0000 65.3560 30.7768 177.9554 41 T 3.9619 8.0657 109.0171 64.1330 68.7948 175.2184 42 T 4.4462 9.0291 112.7747 62.9571 70.1849 176.3517 43 E 4.0756 7.8853 120.7911 59.3528 29.5572 178.6352 44 R 4.1616 7.7708 114.9036 56.8918 30.8928 178.0523 45 K 4.1767 7.5900 120.8645 58.4693 31.8568 177.5473 46 R 4.6340 7.6188 116.6508 56.0412 29.7911 176.3853 47 A 4.6018 7.4815 118.5755 52.3027 18.4460 178.1612 48 K 4.4933 7.6820 117.4081 56.8206 34.2711 178.1724 49 A 4.0988 7.4661 119.3551 54.7797 18.4472 178.4093 50 S 4.3572 7.7111 108.4998 59.3767 63.8094 174.2801 51 A 4.8419 7.3484 122.8327 50.7744 18.5319 175.4096 52 V 4.3712 7.2982 117.9222 60.9680 33.7847 176.4607 53 K 4.1760 8.4302 122.3756 55.8442 32.7490 176.1827 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 I 8.01 3.78 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 0.79 0.00 0.00 4 K 7.35 4.37 0.00 1.88 1.74 0.00 1.39 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.51 7.81 5 V 8.72 4.46 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 0.87 0.00 0.00 0.96 0.00 0.00 6 R 8.28 4.41 0.00 1.70 1.80 0.00 3.20 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 7 E 8.37 4.11 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 2.06 2.06 0.00 8 N 7.76 5.05 0.00 2.64 1.86 0.00 0.00 7.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.13 4.33 0.00 2.14 2.12 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 2.28 2.38 0.00 10 P 0.00 4.74 0.00 2.15 2.09 0.00 3.85 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 2.04 2.12 0.00 11 F 8.59 4.68 0.00 3.28 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 12 D 8.12 5.22 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 3.95 2.12 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 0.77 0.00 0.00 0.96 0.00 0.00 14 A 8.50 4.06 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 15 L 7.82 3.87 0.00 1.82 1.80 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.12 4.47 0.00 2.00 1.87 0.00 3.10 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 17 R 7.64 4.39 0.00 1.91 1.93 0.00 3.17 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 18 F 8.08 4.35 0.00 3.02 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 19 K 8.09 4.13 0.00 1.82 1.86 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.41 7.81 20 R 7.58 4.39 0.00 1.94 1.97 0.00 3.30 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 21 S 7.66 4.69 0.00 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 0.00 22 C 7.24 4.86 0.00 3.00 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 23 E 8.17 4.52 0.00 2.00 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 2.38 2.26 0.00 24 K 8.74 3.49 0.00 1.89 1.42 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.42 7.81 25 A 8.82 3.88 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.13 3.88 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 0.00 0.00 0.00 27 V 7.48 4.14 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 1.06 0.00 0.00 0.92 0.00 0.00 28 L 8.77 3.96 0.00 1.89 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.57 4.06 1.35 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 0.00 0.00 0.00 30 E 7.15 4.13 0.00 2.19 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 0.00 2.28 2.14 0.00 31 V 7.61 4.06 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 0.80 0.00 0.00 0.93 0.00 0.00 32 R 7.61 4.74 0.00 1.78 1.85 0.00 3.34 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 33 R 7.77 4.22 0.00 1.76 1.57 0.00 3.24 0.00 0.00 3.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 34 R 8.59 4.02 0.00 1.65 1.78 0.00 3.12 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 35 E 8.82 3.86 0.00 2.10 2.30 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 2.42 2.48 0.00 36 F 7.67 3.68 0.00 3.25 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 Y 8.65 3.36 0.00 3.20 2.70 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 38 E 9.67 4.68 0.00 2.07 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 2.30 2.41 0.00 39 K 7.89 4.44 0.00 2.21 2.28 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.42 1.55 7.81 40 P 0.00 4.32 0.00 2.25 2.14 0.00 3.97 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 41 T 8.07 3.96 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 1.32 0.00 0.00 42 T 9.03 4.45 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 1.27 0.00 0.00 43 E 7.89 4.08 0.00 2.09 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 2.51 2.60 0.00 44 R 7.77 4.16 0.00 1.93 1.94 0.00 3.12 0.00 0.00 3.02 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 45 K 7.59 4.18 0.00 2.15 1.90 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 46 R 7.62 4.63 0.00 1.89 1.87 0.00 3.15 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 47 A 7.48 4.60 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 48 K 7.68 4.49 0.00 1.77 1.72 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 49 A 7.47 4.10 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 50 S 7.71 4.36 0.00 3.95 3.92 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 51 A 7.35 4.84 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 52 V 7.30 4.37 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 0.87 0.00 0.00 0.93 0.00 0.00 53 K 8.43 4.18 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.33 7.81