NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.2717 8.4444 121.4696 56.0525 31.7351 176.5875 22 D 4.3712 8.1873 117.2226 55.3401 41.7079 174.5653 23 L 4.8987 7.4644 116.0756 52.7677 46.3655 174.5671 24 Q 4.7029 8.1976 117.6339 53.9564 31.8574 175.5993 25 C 4.5339 8.4929 115.8523 56.7985 40.7280 174.9190 26 V 3.5271 8.4207 123.0531 64.2672 31.5144 177.0566 27 C 4.5251 7.9409 118.9143 55.9088 40.3154 173.1698 28 L 4.1357 8.6084 127.2226 57.1532 42.1018 176.5665 29 K 4.7225 7.5722 114.5528 54.8326 36.2152 175.5022 30 T 4.7979 8.2149 110.1116 60.5274 70.7352 174.1609 31 T 4.7296 8.4190 119.2918 62.1960 71.5414 174.2055 32 S 4.6253 8.4991 115.0762 57.7516 64.2355 173.8461 33 G 4.0868 8.0014 107.6624 46.4223 0.0000 173.8796 34 I 4.1846 7.5261 112.2735 59.0057 39.4557 174.5439 35 N 4.5054 8.3499 120.7200 52.2352 39.3710 173.8657 36 P 4.1586 0.0000 0.0000 65.9375 31.5246 177.8746 37 R 4.2513 8.0671 114.2666 57.2824 30.2954 176.5461 38 H 4.7902 8.4839 115.6374 55.6947 29.3320 174.4826 39 I 4.7279 7.2079 121.1331 60.4143 37.8388 175.6507 40 S 4.7253 9.1202 119.7950 58.9413 64.5969 174.1181 41 S 4.7153 7.7880 114.0272 56.7760 65.9854 172.1959 42 L 5.1214 8.4660 126.2105 53.2067 44.8196 174.8148 43 E 4.6233 9.4291 127.5547 54.3535 32.2337 174.4550 44 V 4.6273 8.4727 127.0226 61.5425 32.9772 174.4922 45 I 4.4533 8.4775 129.9199 59.2471 39.3790 176.2795 46 G 4.1904 8.7190 113.9245 45.6560 0.0000 172.8926 47 A 4.4881 8.5142 122.0056 52.3605 19.2834 178.1960 48 G 3.9983 8.7202 107.7059 45.7213 0.0000 174.2981 49 L 3.9823 8.6913 119.0562 57.5491 42.0324 178.1446 50 H 4.3013 8.2242 113.5167 58.2868 28.9061 176.2745 51 C 4.6387 7.0239 115.8200 55.0768 46.9171 172.3535 52 P 4.0785 0.0000 0.0000 64.0735 31.4112 175.8085 53 S 4.8478 7.4407 112.6957 55.6498 66.1480 172.1549 54 P 4.7220 0.0000 0.0000 63.0947 31.9920 175.8151 55 Q 4.6477 9.1182 120.7882 54.0886 33.4911 174.6160 56 L 4.9689 8.4371 121.1609 53.3025 44.7469 175.3448 57 I 4.9775 8.5886 125.6311 59.3844 39.9269 174.6851 58 A 5.1663 8.7774 129.3347 50.5236 21.6212 175.2705 59 T 4.8691 8.5694 119.2129 61.8429 70.4515 174.8580 60 L 4.6955 9.1943 127.1089 54.2829 42.7226 178.6230 61 K 4.0859 8.7159 120.6570 58.8393 32.0656 178.5009 62 T 4.0983 7.7864 107.7619 62.1448 69.3430 175.6660 63 G 3.9697 8.2554 111.4209 44.9629 0.0000 173.9357 64 R 4.1571 7.6397 120.8659 56.2830 31.3034 175.2844 65 K 5.2824 8.5770 124.0483 54.7171 34.8994 175.3053 66 I 4.7885 8.4815 116.0196 59.7138 41.7677 172.9977 67 C 5.5214 8.7230 119.2353 55.3454 43.1287 173.1297 68 L 5.0880 8.4183 121.5521 53.0712 44.5930 175.4026 69 D 4.6978 8.3677 120.1265 52.6953 42.0373 177.1616 70 Q 3.8806 8.7267 127.8184 58.3137 29.1917 176.1281 71 Q 4.5762 9.3847 118.8211 55.7385 29.3863 173.9575 72 N 5.0065 8.2733 115.4409 50.6457 41.4393 173.0600 73 P 4.2419 0.0000 0.0000 63.4745 32.1941 177.6633 74 L 3.9068 8.1269 122.2054 58.6747 42.0070 178.2663 75 Y 4.2307 7.6222 116.5259 60.0997 37.5905 178.7246 76 K 3.8186 7.1243 120.1985 58.8182 31.9494 179.4840 77 K 3.9488 7.8250 118.8664 59.2949 31.9171 179.4106 78 I 3.6927 7.6333 119.5297 64.6232 36.6859 178.4096 79 I 3.7779 7.6450 120.1513 64.1468 36.6229 178.5579 80 K 3.9535 7.5537 119.6559 59.4515 32.2576 178.6237 81 R 4.0262 8.2833 119.3806 59.4791 29.7855 178.5294 82 L 4.0686 8.4344 118.1428 57.2994 41.7146 178.5414 83 L 4.3465 7.3587 115.7123 55.1270 41.9049 177.8264 84 K 3.8486 7.8721 120.0225 54.5871 31.7908 177.0396 85 S 4.5081 8.6519 120.9929 58.8618 62.8230 168.5760 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 21 E 8.44 4.27 0.00 1.94 2.05 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 2.19 2.30 0.00 22 D 8.19 4.37 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 23 L 7.46 4.90 0.00 1.62 1.51 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.20 4.70 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 25 C 8.49 4.53 0.00 2.98 3.21 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 0.00 26 V 8.42 3.53 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 0.80 0.00 0.00 0.93 0.00 0.00 27 C 7.94 4.53 0.00 2.93 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 28 L 8.61 4.14 0.00 1.60 1.68 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.57 4.72 0.00 1.72 1.63 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 30 T 8.21 4.80 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 1.25 0.00 0.00 31 T 8.42 4.73 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 1.22 0.00 0.00 32 S 8.50 4.63 0.00 3.77 3.79 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 33 G 8.00 4.09 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 0.00 0.00 0.00 34 I 7.53 4.18 1.87 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 1.32 0.56 0.93 0.00 0.00 35 N 8.35 4.51 0.00 2.59 2.31 0.00 0.00 6.95 7.71 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 36 P 0.00 4.16 0.00 2.19 2.11 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 37 R 8.07 4.25 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 38 H 8.48 4.79 0.00 3.20 3.31 0.00 5.62 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 39 I 7.21 4.73 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 1.01 0.00 0.00 40 S 9.12 4.73 0.00 3.82 3.98 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 41 S 7.79 4.72 0.00 3.88 3.68 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 42 L 8.47 5.12 0.00 1.65 1.52 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.43 4.62 0.00 2.01 1.75 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 2.18 2.20 0.00 44 V 8.47 4.63 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 0.79 0.00 0.00 0.90 0.00 0.00 45 I 8.48 4.45 1.88 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 1.14 0.63 0.88 0.00 0.00 46 G 8.72 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.49 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.72 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 49 L 8.69 3.98 0.00 1.66 1.74 0.93 1.01 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 50 H 8.22 4.30 0.00 3.27 3.45 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.02 4.64 0.00 3.02 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 52 P 0.00 4.08 0.00 2.19 2.12 0.00 3.72 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 1.96 1.92 0.00 53 S 7.44 4.85 0.00 3.81 3.81 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 54 P 0.00 4.72 0.00 1.90 2.03 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 55 Q 9.12 4.65 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 56 L 8.44 4.97 0.00 1.49 1.52 0.44 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.59 4.98 1.87 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 1.16 0.65 0.91 0.00 0.00 58 A 8.78 5.17 1.25 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 59 T 8.57 4.87 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 1.22 0.00 0.00 60 L 9.19 4.70 0.00 1.70 1.60 0.94 1.01 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 61 K 8.72 4.09 0.00 1.76 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.39 7.81 62 T 7.79 4.10 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 63 G 8.26 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.64 4.16 0.00 1.86 1.81 0.00 3.05 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 65 K 8.58 5.28 0.00 1.65 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 66 I 8.48 4.79 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.92 0.00 0.00 67 C 8.72 5.52 0.00 3.09 2.99 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 68 L 8.42 5.09 0.00 1.55 1.63 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.37 4.70 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 70 Q 8.73 3.88 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.18 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 71 Q 9.38 4.58 0.00 1.94 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.36 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 72 N 8.27 5.01 0.00 2.77 2.86 0.00 0.00 6.99 7.87 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 73 P 0.00 4.24 0.00 2.15 2.19 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 74 L 8.13 3.91 0.00 1.86 1.79 0.97 0.68 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 75 Y 7.62 4.23 0.00 3.44 3.28 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 76 K 7.12 3.82 0.00 1.67 1.70 0.00 1.08 0.00 0.00 1.41 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 0.86 7.81 77 K 7.83 3.95 0.00 1.93 1.82 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 78 I 7.63 3.69 2.07 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 1.65 0.75 0.95 0.00 0.00 79 I 7.65 3.78 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 0.94 0.00 0.00 80 K 7.55 3.95 0.00 1.82 2.00 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 81 R 8.28 4.03 0.00 1.98 2.06 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 82 L 8.43 4.07 0.00 1.62 1.73 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.36 4.35 0.00 1.64 1.71 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.87 3.85 0.00 1.89 1.65 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.53 7.81 85 S 8.65 4.51 0.00 3.87 4.20 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 0.00 0.00 0.00 0.00