NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6359 8.4645 119.5580 52.6798 42.3909 177.0608 10 E 4.2804 7.9049 116.1421 60.0946 30.3159 181.9421 11 D 4.4328 8.8044 118.7549 57.6289 41.2680 178.4245 12 S 4.1691 7.9889 115.5362 61.2806 62.8932 176.2790 13 L 3.9198 7.7687 122.5783 58.0805 41.9708 178.7971 14 K 3.8282 7.7152 118.3043 59.4614 31.9601 179.0686 15 A 3.9065 7.9357 120.7801 55.3706 18.3292 180.1879 16 V 3.6655 7.8528 110.8998 64.4877 31.5903 179.1747 17 R 3.9601 8.1338 117.9699 58.9678 29.9228 178.6138 18 L 3.9812 8.5398 120.5149 58.2856 41.9411 179.1143 19 I 3.7283 7.7916 119.4821 64.3972 36.9861 178.1353 20 K 4.0163 8.0510 119.3092 60.0420 31.7868 179.0633 21 F 4.1913 8.7297 119.3259 61.0200 39.4163 176.8659 22 L 4.0159 8.3686 119.2752 58.1281 41.3309 179.1715 23 Y 4.0433 7.6668 116.5992 61.0969 37.5711 178.4765 24 Q 4.1564 7.8098 118.3217 58.0360 28.8774 177.6823 25 S 4.3222 7.2078 113.5011 58.0858 64.7167 173.7188 26 N 5.0496 7.5089 119.5291 51.8135 38.4889 172.1329 27 P 4.5953 0.0000 0.0000 61.5888 32.7391 175.3973 28 P 3.7111 0.0000 0.0000 61.4582 31.8273 174.9098 29 P 4.3765 0.0000 0.0000 62.6094 31.8961 175.7897 30 N 4.4231 8.4575 118.2819 52.1577 39.0107 173.2883 31 P 4.2284 0.0000 0.0000 63.1314 31.6114 175.4364 32 E 4.5924 8.6346 120.9606 56.8453 32.1846 176.2946 33 G 3.8008 8.8121 111.3645 44.5689 0.0000 173.4104 34 T 4.1452 8.1031 108.6898 61.0743 70.8245 174.8189 35 R 3.8426 8.5416 121.0713 59.9091 29.9186 178.2211 36 Q 3.9198 8.0451 118.3493 58.9866 29.1002 177.9185 37 A 3.9739 7.9459 121.6517 55.3354 18.5160 179.7072 38 R 3.8962 8.1089 116.6710 59.6095 30.0363 179.6074 39 R 3.9498 8.2686 117.8695 59.1766 30.0444 178.7648 40 N 4.3334 8.1822 116.2864 56.5754 38.5065 177.7227 41 R 4.0083 8.4439 119.7609 59.3334 30.1452 179.4152 42 R 4.0432 8.0897 117.9924 59.0399 30.0240 179.0267 43 R 3.9831 8.3702 118.9466 59.4878 30.0180 178.8983 44 R 4.1098 8.1057 117.9340 58.9021 30.0101 178.5710 45 W 4.1568 8.5736 128.5638 60.7744 30.6678 178.1801 46 R 3.6109 8.4306 117.7345 59.1765 29.5219 178.8768 47 E 3.9065 8.1508 118.3296 59.4985 29.4046 179.6879 48 R 3.7905 8.0117 118.1258 59.2611 30.1017 179.0627 49 Q 3.5505 7.6452 118.0733 58.8774 28.4633 179.3182 50 R 3.8433 7.7456 118.9324 59.1342 30.0751 178.9474 51 Q 3.9229 7.9252 117.8302 59.2532 28.7780 179.2230 52 I 3.5047 7.8385 120.8675 64.3825 36.8594 178.3330 53 H 4.3572 8.0294 117.3789 58.9627 28.5690 177.9499 54 S 4.1165 8.3384 116.3088 61.4397 62.6831 176.2799 55 I 3.6561 7.8308 123.4937 64.2960 36.8974 178.3315 56 S 4.1601 8.0580 115.5825 61.8795 62.6857 176.6596 57 E 3.9857 8.4285 121.2184 59.5160 29.0911 179.4889 58 R 3.8766 8.2659 118.7668 59.4221 30.1300 178.7292 59 I 3.8758 8.0488 119.8407 64.4796 37.1867 178.4588 60 R 3.9808 8.6263 119.2483 59.5941 30.0063 179.1627 61 S 4.0561 8.4217 112.4280 60.9194 62.0590 175.7846 62 T 3.9598 7.3279 117.1084 64.6248 68.9467 174.9947 63 Y 4.8769 8.3573 115.2362 57.3521 40.9804 175.8851 64 L 4.8850 7.9137 122.3030 53.1901 43.7614 178.4015 65 G 3.7702 9.0526 108.8871 49.6305 0.0000 175.3416 66 R 4.3546 7.9050 120.7711 59.4957 29.4906 180.7165 67 S 5.0729 8.2240 113.6791 61.1694 63.2337 175.2020 68 A 4.1566 7.4311 123.6006 53.9437 18.8041 177.6714 69 E 3.9360 7.4465 115.6421 56.0033 30.1005 175.1015 70 P 4.4244 0.0000 0.0000 62.9676 31.3316 176.1408 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 9 D 8.46 4.64 0.00 2.71 2.65 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 10 E 7.90 4.28 0.00 2.04 1.97 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 2.25 2.03 0.00 11 D 8.80 4.43 0.00 2.72 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 12 S 7.99 4.17 0.00 3.87 3.94 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 13 L 7.77 3.92 0.00 1.74 1.72 0.92 0.57 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 14 K 7.72 3.83 0.00 1.75 1.71 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.51 7.81 15 A 7.94 3.91 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 16 V 7.85 3.67 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 0.88 0.00 0.00 1.01 0.00 0.00 17 R 8.13 3.96 0.00 1.97 1.96 0.00 3.10 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 18 L 8.54 3.98 0.00 1.76 1.87 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.79 3.73 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.04 1.18 0.00 0.00 20 K 8.05 4.02 0.00 2.25 2.01 0.00 1.64 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.59 7.81 21 F 8.73 4.19 0.00 3.01 3.30 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 22 L 8.37 4.02 0.00 1.64 1.36 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.67 4.04 0.00 2.97 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 24 Q 7.81 4.16 0.00 1.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 25 S 7.21 4.32 0.00 3.72 3.37 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 26 N 7.51 5.05 0.00 2.48 2.80 0.00 0.00 7.14 8.75 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 27 P 0.00 4.60 0.00 2.11 2.00 0.00 3.80 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 2.04 2.12 0.00 28 P 0.00 3.71 0.00 1.78 1.36 0.00 3.65 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 1.89 1.88 0.00 29 P 0.00 4.38 0.00 2.13 2.06 0.00 3.18 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 30 N 8.46 4.42 0.00 2.72 2.78 0.00 0.00 6.99 8.02 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 31 P 0.00 4.23 0.00 2.00 1.97 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 32 E 8.63 4.59 0.00 1.84 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 2.06 2.10 0.00 33 G 8.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.15 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 35 R 8.54 3.84 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 36 Q 8.05 3.92 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 37 A 7.95 3.97 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 38 R 8.11 3.90 0.00 1.99 1.98 0.00 3.43 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 39 R 8.27 3.95 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 40 N 8.18 4.33 0.00 3.00 2.88 0.00 0.00 7.05 6.98 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 41 R 8.44 4.01 0.00 1.83 2.00 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 42 R 8.09 4.04 0.00 2.03 2.03 0.00 3.10 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 R 8.37 3.98 0.00 2.00 2.11 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 44 R 8.11 4.11 0.00 2.13 2.00 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 45 W 8.57 4.16 0.00 3.44 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 46 R 8.43 3.61 0.00 2.16 2.00 0.00 3.31 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 47 E 8.15 3.91 0.00 2.16 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 2.32 2.64 0.00 48 R 8.01 3.79 0.00 1.92 1.73 0.00 3.29 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 49 Q 7.65 3.55 0.00 1.42 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 50 R 7.75 3.84 0.00 1.92 1.93 0.00 3.11 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 1.62 1.81 0.00 51 Q 7.93 3.92 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 52 I 7.84 3.50 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 -0.09 0.00 0.00 53 H 8.03 4.36 0.00 3.39 3.33 0.00 5.62 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 54 S 8.34 4.12 0.00 4.03 4.12 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 0.00 0.00 0.00 55 I 7.83 3.66 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.90 0.00 0.00 56 S 8.06 4.16 0.00 4.15 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 57 E 8.43 3.99 0.00 2.14 2.02 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 2.57 2.49 0.00 58 R 8.27 3.88 0.00 1.97 2.14 0.00 3.09 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 1.66 0.00 59 I 8.05 3.88 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.73 1.09 0.00 0.00 60 R 8.63 3.98 0.00 2.05 2.02 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 61 S 8.42 4.06 0.00 3.90 4.01 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 0.00 0.00 0.00 0.00 62 T 7.33 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 63 Y 8.36 4.88 0.00 2.99 2.91 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 64 L 7.91 4.89 0.00 1.84 1.47 0.99 0.78 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 65 G 9.05 3.77 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 0.00 0.00 0.00 66 R 7.91 4.35 0.00 1.83 1.94 0.00 3.25 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 67 S 8.22 5.07 0.00 3.98 4.06 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 0.00 0.00 0.00 0.00 68 A 7.43 4.16 1.32 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 0.00 0.00 69 E 7.45 3.94 0.00 1.97 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 2.32 2.30 0.00 70 P 0.00 4.42 0.00 2.07 1.95 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 2.08 0.00