NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2797 8.2649 123.5816 51.2469 18.9114 176.1010 7 P 4.0292 0.0000 0.0000 61.8591 31.7862 175.6129 8 D 4.7526 9.4435 124.2523 52.2310 43.1852 177.4619 9 F 3.9030 8.4352 120.6051 61.8103 39.6557 177.0458 10 H 4.4376 8.1989 115.4255 58.9419 28.3771 177.3860 11 D 4.3350 8.4371 120.0080 57.2321 40.7081 178.8406 12 K 3.7653 7.7053 117.7253 58.8963 32.4043 178.2496 13 Y 4.7221 7.7556 114.4818 57.2402 38.9851 177.7286 14 G 3.8399 8.0784 107.9340 48.3366 0.0000 175.2675 15 N 4.3267 8.1954 118.5940 55.7105 38.5508 177.3105 16 A 3.9992 7.9077 121.4882 55.1688 18.6329 179.7532 17 V 3.5670 8.3161 117.2844 65.9696 31.7392 177.9604 18 L 3.9805 8.3934 120.3495 58.1986 41.9358 178.8219 19 A 4.1271 8.1372 120.8912 54.8129 18.5267 179.6179 20 S 4.3662 8.5246 113.1010 60.9608 63.4005 176.8183 21 G 3.7399 8.2677 109.1908 47.7174 0.0000 175.2679 22 A 4.0331 7.9304 123.5907 55.0758 18.4462 179.6384 23 T 3.8534 7.9268 114.0937 66.8370 68.5967 176.4940 24 F 4.2432 8.6651 122.6396 61.4448 39.4207 176.5037 25 C 3.9719 8.6628 118.6008 62.6080 31.4162 175.5660 26 V 3.6190 8.1410 119.7843 66.0206 31.0767 177.7771 27 A 4.0307 8.1383 120.5799 55.2569 18.2405 179.9601 28 V 3.6342 7.6731 117.3462 64.2085 31.6287 178.6888 29 W 3.9049 8.0725 119.6446 59.3883 28.9407 178.7200 30 V 3.6959 8.0968 118.3501 66.0167 30.9199 177.4586 31 Y 3.9611 8.1843 119.2611 61.0226 38.5325 177.4278 32 M 3.8321 8.3118 117.8366 58.9141 32.2898 177.7243 33 A 4.6558 8.1462 119.6847 54.2926 18.8250 178.6071 34 T 4.5377 7.8200 105.9984 61.7488 70.4166 175.0695 35 Q 4.4369 7.8817 118.2312 55.3660 29.8519 175.6083 36 I 4.2675 7.7134 109.6399 60.3167 38.1774 175.8583 37 G 3.8660 8.3009 107.6155 45.9457 0.0000 173.8097 38 I 3.5687 7.4101 119.7092 60.5708 37.5810 175.1775 39 E 4.4327 8.1834 125.6089 54.3495 29.9008 175.5388 40 W 4.1751 8.8504 127.0450 57.2572 30.2139 175.9592 41 N 4.1630 8.9190 116.5162 53.9358 36.5737 170.5209 42 P 4.6668 0.0000 0.0000 61.3711 33.6087 176.3599 43 S 4.2107 8.3728 112.6205 58.1559 62.7460 172.5479 44 P 4.3582 0.0000 0.0000 64.6934 31.5721 176.8426 45 V 3.6124 7.3841 118.2028 64.6251 31.4652 176.3314 46 G 4.0040 9.0854 114.1992 45.8473 0.0000 173.5871 47 R 4.4859 8.5330 117.1274 55.2458 32.0993 174.9815 48 V 4.3024 7.6854 116.5013 61.1061 33.2630 174.7489 49 T 4.3308 8.3151 123.6480 61.6723 68.7889 173.0990 50 P 4.4206 0.0000 0.0000 62.5849 32.0197 175.7873 51 K 4.7183 8.2309 121.5165 54.0882 35.4650 175.7274 52 E 4.1862 8.7990 123.6695 56.4200 29.9088 176.9731 53 W 4.7594 7.9371 117.6561 56.6154 30.4174 175.3774 54 R 3.3093 6.9106 122.7920 56.1022 29.3320 175.7079 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 6 A 8.26 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.03 0.00 2.08 1.97 0.00 3.91 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 8 D 9.44 4.75 0.00 2.94 2.85 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 9 F 8.44 3.90 0.00 3.27 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 10 H 8.20 4.44 0.00 3.39 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.44 4.34 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.71 3.77 0.00 0.79 0.74 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.16 1.36 7.81 13 Y 7.76 4.72 0.00 2.07 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.33 0.00 2.73 2.89 0.00 0.00 6.86 7.64 0.00 0.00 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 7.91 4.00 1.42 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 0.00 0.00 0.00 17 V 8.32 3.57 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 1.08 0.00 0.00 1.12 0.00 0.00 18 L 8.39 3.98 0.00 1.85 1.87 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.14 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.52 4.37 0.00 4.09 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 21 G 8.27 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 22 A 7.93 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 3.85 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 24 F 8.67 4.24 0.00 3.12 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.66 3.97 0.00 3.19 3.09 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 0.00 0.00 0.00 0.00 26 V 8.14 3.62 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 0.98 0.00 0.00 0.95 0.00 0.00 27 A 8.14 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.67 3.63 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.73 0.00 0.00 29 W 8.07 3.90 0.00 3.51 3.35 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 30 V 8.10 3.70 2.23 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.18 3.96 0.00 3.16 3.14 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 0.00 0.00 0.00 0.00 32 M 8.31 3.83 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 33 A 8.15 4.66 1.57 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 0.00 0.00 34 T 7.82 4.54 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 1.23 0.00 0.00 35 Q 7.88 4.44 0.00 0.95 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.07 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 36 I 7.71 4.27 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.72 0.00 0.00 37 G 8.30 3.87 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 0.00 0.00 0.00 38 I 7.41 3.57 1.62 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 -0.22 0.00 0.00 39 E 8.18 4.43 0.00 1.82 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 2.19 2.35 0.00 40 W 8.85 4.18 0.00 3.37 3.26 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 41 N 8.92 4.16 0.00 2.78 2.86 0.00 0.00 7.22 7.56 0.00 0.00 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 P 0.00 4.67 0.00 2.24 2.10 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 43 S 8.37 4.21 0.00 3.86 3.82 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 44 P 0.00 4.36 0.00 2.22 2.08 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.38 3.61 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.09 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 0.00 0.00 0.00 47 R 8.53 4.49 0.00 1.67 1.88 0.00 3.24 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 48 V 7.69 4.30 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 0.90 0.00 0.00 0.94 0.00 0.00 49 T 8.32 4.33 4.26 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 1.23 0.00 0.00 50 P 0.00 4.42 0.00 2.08 2.03 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 51 K 8.23 4.72 0.00 1.69 1.67 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.46 7.81 52 E 8.80 4.19 0.00 1.97 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 2.30 2.21 0.00 53 W 7.94 4.76 0.00 3.46 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.91 3.31 0.00 0.67 1.23 0.00 3.05 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.00