NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3218 8.2649 123.5819 51.2038 19.3171 176.1540 2 P 4.1754 0.0000 0.0000 61.6306 32.4326 175.3948 3 M 4.2762 8.5449 122.1149 54.4013 33.6961 176.1837 4 G 3.8595 8.3788 110.0619 46.0043 0.0000 172.8382 5 S 4.3551 8.0450 113.0370 59.4560 63.1681 174.7523 6 D 4.7623 7.2130 118.6718 53.0890 43.0677 173.1788 7 P 4.5322 0.0000 0.0000 61.1238 32.9234 176.4762 8 P 4.6148 0.0000 0.0000 63.4262 31.3639 175.2831 9 T 4.4801 8.0912 113.3632 62.9751 72.1613 174.7118 10 A 4.3767 8.6410 130.1336 52.1271 16.1625 175.3819 11 C 5.1301 7.9914 117.2963 54.7413 42.8551 175.0141 12 C 4.6596 8.6623 121.6383 56.9524 40.4264 173.5898 13 F 4.4559 8.4313 117.4451 57.4629 39.3421 175.8179 14 S 3.4365 5.8100 114.7075 57.8066 64.3592 172.3874 15 Y 4.6811 7.6057 116.1589 57.1453 42.1308 176.2296 16 T 4.2388 7.9002 114.4608 62.3371 67.2722 174.2080 17 A 4.7848 8.4763 120.6761 52.2593 21.6040 176.2911 18 R 4.5694 7.6779 113.5745 53.7197 33.9645 175.1901 19 K 2.8808 8.1755 123.4383 55.7592 32.5281 176.2254 20 L 4.0929 7.3910 126.5530 53.4951 42.2353 175.2022 21 P 4.3418 0.0000 0.0000 62.4931 31.9836 177.2287 22 R 3.7475 8.9035 121.6955 59.7458 29.9336 177.4364 23 N 4.7920 8.1425 112.4870 54.0937 38.7186 174.2670 24 F 4.9721 9.0716 118.6375 57.5151 40.2152 174.4671 25 V 4.5213 7.5219 119.4126 61.2355 31.9989 174.3918 26 V 3.9799 8.0605 119.2535 62.2151 32.4186 175.1317 27 D 4.8434 7.6900 117.8724 54.9303 44.8403 172.5612 28 Y 5.2486 8.5810 116.1161 57.4202 40.9682 172.8733 29 Y 4.4578 9.3499 118.7755 56.8200 42.5231 173.5069 30 E 4.5088 7.6824 124.9847 54.9321 31.7885 176.9868 31 T 3.9239 7.5362 112.2613 61.3029 70.4033 174.3620 32 S 4.6643 7.5419 119.1140 58.8076 62.3512 175.2378 33 S 4.5241 8.4932 106.7066 59.2472 66.1459 175.3176 34 L 4.0459 8.3231 120.2909 57.7288 41.5719 176.5169 35 C 4.4990 8.0468 113.0663 55.2747 42.1465 175.6181 36 S 4.5733 8.5869 120.6945 58.0995 62.0910 175.4067 37 Q 4.6347 8.4315 116.2224 54.7395 28.9259 171.1800 38 P 4.4472 0.0000 0.0000 63.5622 33.2239 175.2178 39 A 4.3776 9.0057 119.3326 51.6286 23.2533 175.3933 40 V 4.2004 7.6513 117.9312 61.6878 33.6316 174.9001 41 V 4.7728 8.7134 126.9030 61.2042 34.0782 174.1898 42 F 5.2767 9.5010 127.4714 56.7739 40.9827 174.7834 43 Q 5.3164 9.6454 122.7807 54.2407 30.3143 175.2460 44 T 4.8047 8.0630 116.3829 59.7803 70.8683 173.6872 45 K 4.2975 6.5963 117.8534 57.0525 34.3554 176.2873 46 R 4.9199 6.8939 117.6426 54.5046 31.3670 173.7431 47 S 4.6595 7.2955 124.4247 57.9300 70.0100 176.6313 48 K 4.6555 8.8701 123.1184 56.0231 40.3500 174.3933 49 Q 5.1094 9.1173 120.6311 54.6351 33.5307 176.1047 50 V 4.5418 8.8162 121.6248 61.3589 34.4928 174.2854 51 C 5.1117 9.0255 124.9063 57.2066 40.1158 172.4285 52 A 5.0118 9.0040 122.5188 50.3118 22.9493 175.5154 53 D 3.7190 8.4053 122.0112 53.2336 40.8764 175.6620 54 P 4.1787 0.0000 0.0000 64.3094 31.3735 177.3063 55 S 4.0452 7.4999 113.3583 60.4785 62.7870 173.5528 56 E 4.1214 7.9094 121.5735 55.3293 29.5433 177.2003 57 S 4.0301 8.9283 120.5356 61.6062 62.6056 176.6309 58 W 4.3630 8.1323 119.4864 59.2843 27.6711 178.3543 59 V 2.7220 6.4751 119.1309 65.5096 30.8505 177.8170 60 Q 3.9269 7.7280 118.8305 59.0103 28.9139 177.6107 61 E 4.0406 8.6663 120.7440 59.7283 29.7792 178.4328 62 Y 4.0289 9.0131 117.2579 61.0476 37.8772 178.8671 63 V 3.3950 8.1696 119.3660 66.0008 31.7597 177.4356 64 Y 3.9803 8.2525 119.3161 60.9148 38.1256 177.8561 65 D 4.3738 8.4600 119.8351 57.3475 40.6395 178.7890 66 L 4.0965 7.6128 118.7579 57.5412 41.6483 178.9664 67 E 4.1306 7.7301 118.0502 59.4611 29.4440 177.9010 68 L 3.9702 7.6628 119.0008 55.5744 41.4945 176.4806 69 N 4.4684 7.5242 124.1677 54.0538 38.8976 175.1408 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 1 A 8.26 4.32 1.28 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 0.00 0.00 2 P 0.00 4.18 0.00 2.13 2.00 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 3 M 8.54 4.28 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 4 G 8.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.04 4.36 0.00 3.84 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 6 D 7.21 4.76 0.00 2.64 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 7 P 0.00 4.53 0.00 2.04 2.00 0.00 3.69 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 2.03 2.07 0.00 8 P 0.00 4.61 0.00 2.18 2.10 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 T 8.09 4.48 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 10 A 8.64 4.38 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 11 C 7.99 5.13 0.00 2.98 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 12 C 8.66 4.66 0.00 2.86 2.84 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 13 F 8.43 4.46 0.00 3.16 3.12 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 14 S 5.81 3.44 0.00 3.53 3.24 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 0.00 15 Y 7.61 4.68 0.00 2.95 2.90 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 0.00 16 T 7.90 4.24 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 A 8.48 4.78 1.27 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 0.00 0.00 0.00 18 R 7.68 4.57 0.00 1.74 1.67 0.00 3.15 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 19 K 8.18 2.88 0.00 0.79 1.06 0.00 1.38 0.00 0.00 1.12 0.00 0.00 2.64 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 20 L 7.39 4.09 0.00 1.55 1.81 1.13 1.26 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 21 P 0.00 4.34 0.00 2.20 1.95 0.00 3.55 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 2.00 1.97 0.00 22 R 8.90 3.75 0.00 1.61 1.88 0.00 2.89 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 1.40 0.00 23 N 8.14 4.79 0.00 2.73 2.85 0.00 0.00 6.66 7.05 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 24 F 9.07 4.97 0.00 2.97 3.01 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 25 V 7.52 4.52 2.16 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 1.44 0.00 0.00 1.01 0.00 0.00 26 V 8.06 3.98 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 0.68 0.00 0.00 1.01 0.00 0.00 27 D 7.69 4.84 0.00 2.83 2.58 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 28 Y 8.58 5.25 0.00 3.12 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 29 Y 9.35 4.46 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.51 0.00 1.58 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 0.00 2.17 2.24 0.00 31 T 7.54 3.92 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 1.23 0.00 0.00 32 S 7.54 4.66 0.00 3.95 3.72 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 33 S 8.49 4.52 0.00 3.93 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 34 L 8.32 4.05 0.00 1.66 1.82 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.05 4.50 0.00 3.12 3.24 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 0.00 36 S 8.59 4.57 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.43 4.63 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 38 P 0.00 4.45 0.00 2.15 2.29 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 39 A 9.01 4.38 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 40 V 7.65 4.20 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.80 0.00 0.00 41 V 8.71 4.77 2.32 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 1.04 0.00 0.00 0.92 0.00 0.00 42 F 9.50 5.28 0.00 3.23 3.06 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 43 Q 9.65 5.32 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 44 T 8.06 4.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 45 K 6.60 4.30 0.00 1.67 1.85 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.12 7.81 46 R 6.89 4.92 0.00 1.99 2.24 0.00 3.59 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 47 S 7.30 4.66 0.00 4.06 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 48 K 8.87 4.66 0.00 1.73 1.58 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 49 Q 9.12 5.11 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.40 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 50 V 8.82 4.54 2.36 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 0.96 0.00 0.00 1.14 0.00 0.00 51 C 9.03 5.11 0.00 2.93 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 52 A 9.00 5.01 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 53 D 8.41 3.72 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 4.18 0.00 2.04 2.03 0.00 3.50 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 55 S 7.50 4.05 0.00 3.71 3.75 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 56 E 7.91 4.12 0.00 1.61 1.56 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 2.28 2.10 0.00 57 S 8.93 4.03 0.00 4.05 4.14 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 58 W 8.13 4.36 0.00 3.48 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.48 2.72 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 0.65 0.00 0.00 -0.89 0.00 0.00 60 Q 7.73 3.93 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 61 E 8.67 4.04 0.00 2.19 2.41 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 2.43 2.44 0.00 62 Y 9.01 4.03 0.00 3.34 3.10 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 0.00 0.00 0.00 63 V 8.17 3.40 2.26 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 0.80 0.00 0.00 0.84 0.00 0.00 64 Y 8.25 3.98 0.00 3.25 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 65 D 8.46 4.37 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.61 4.10 0.00 1.57 1.71 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.73 4.13 0.00 1.78 1.85 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 2.34 2.47 0.00 68 L 7.66 3.97 0.00 1.55 1.45 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.52 4.47 0.00 2.68 2.66 0.00 0.00 7.20 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00