NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2324 8.2549 117.2711 56.4201 30.7039 175.7680 11 S 4.0185 8.7318 113.4674 57.7122 62.7264 174.1128 12 G 3.6279 7.7298 112.4894 48.0634 0.0000 175.8866 13 R 4.0565 7.6449 115.1318 58.2657 29.9373 177.3117 14 F 5.0503 8.4235 117.3988 57.4571 40.2799 176.8071 15 G 3.7055 7.5887 109.4189 47.1870 0.0000 174.1995 16 A 4.4776 8.6319 128.1040 52.0634 18.7874 177.2274 17 R 4.0580 7.4897 117.1645 57.1802 31.4820 176.3065 18 Y 3.9108 7.8900 117.3363 57.2098 36.7139 170.7330 19 G 3.9857 7.9592 103.6669 44.8623 0.0000 172.8018 20 R 3.9103 7.9314 116.1753 58.4347 29.5466 179.2567 21 V 3.5261 7.6861 117.5531 67.2523 31.9464 178.0066 22 S 4.1063 8.3456 114.0162 62.3376 62.7456 176.6217 23 R 4.3303 8.3123 118.8612 58.6843 29.5605 178.9901 24 R 3.9289 8.4977 120.8460 59.5903 30.1821 178.4507 25 R 4.0496 8.3939 117.8178 58.4828 29.9084 179.3199 26 V 3.5013 7.5629 118.4063 65.7812 31.5680 177.6866 27 A 3.9683 7.8516 120.3063 55.6159 18.1979 179.0202 28 E 3.9047 8.1372 116.8410 59.5002 29.5437 179.3180 29 I 3.6842 7.8732 119.3119 65.0014 37.3544 178.5147 30 E 4.0876 8.5438 119.2404 59.0338 28.6656 179.3674 31 S 4.0650 8.3302 113.9010 61.5629 62.3473 175.9972 32 E 4.0537 8.1773 120.4298 59.2237 29.3916 178.0808 33 M 4.6920 7.8982 119.3201 57.9124 32.4822 177.1424 34 N 4.7643 8.2766 113.9816 53.0170 39.3106 175.3489 35 E 4.1538 6.9710 119.4277 55.9729 30.2268 176.5091 36 D 4.5160 8.3439 120.6592 54.8135 41.7179 175.7268 37 H 5.0287 8.5326 119.0919 53.6842 32.6736 172.6729 38 A 4.3440 8.7116 124.7245 51.5321 18.5416 176.7747 39 C 4.1344 8.8103 123.4808 60.1191 31.8110 172.2242 40 P 4.2157 0.0000 0.0000 65.7285 30.8983 177.1824 41 N 3.5912 7.3781 110.8954 57.4850 39.1164 178.9823 42 C 4.5722 8.0076 125.2033 58.7766 31.1898 174.6493 43 G 4.1341 8.4698 105.8362 45.6425 0.0000 172.6826 44 E 3.9903 8.1076 122.8112 56.0530 30.6932 176.5737 45 D 5.5564 8.3289 127.4502 52.8988 38.7504 176.0578 46 R 4.8016 7.7197 118.5518 55.7636 33.0855 174.7972 47 V 4.9365 8.2351 119.1088 62.0244 32.7998 174.6622 48 D 5.3380 9.3173 127.3042 52.2026 45.0216 175.3704 49 R 3.3026 8.6526 121.7098 56.2038 30.5976 176.2963 50 Q 4.2175 8.3765 124.7749 57.0244 30.3919 175.7325 51 G 3.6913 6.4977 103.6409 45.7865 0.0000 171.9962 52 T 3.6675 8.4086 118.9851 64.8865 67.9803 174.7981 53 G 4.2387 8.4600 115.1554 46.0745 0.0000 171.1845 54 I 4.6445 6.8106 121.0380 59.1970 39.2858 174.9198 55 W 5.0165 8.6463 126.1241 55.0698 33.3402 174.1304 56 Q 5.7945 8.7932 121.4660 55.8241 32.8552 172.7284 57 C 5.1337 9.0207 126.5918 58.7425 32.5419 173.8096 58 S 4.2434 9.5718 121.4262 60.1255 62.6094 174.4884 59 Y 4.5395 8.3388 121.5933 59.1696 39.3474 175.3454 60 C 4.1184 7.9725 113.8127 57.7142 30.6026 173.8390 61 D 4.6843 8.3890 119.2056 55.0435 38.6636 173.1422 62 Y 4.5189 8.0380 121.7570 57.8862 39.8390 174.4682 63 K 5.1252 8.4713 127.9167 54.5732 34.6005 174.6968 64 F 4.9417 9.0586 121.6852 55.8258 41.8775 173.0988 65 T 4.8018 8.6224 109.6516 61.5379 70.1190 174.3411 66 G 4.5017 8.1313 109.5241 46.2031 0.0000 172.2442 67 G 4.0872 8.5682 109.4582 45.3480 0.0000 175.0053 68 S 3.9671 8.5721 114.8655 60.9459 62.3724 175.2052 69 Y 5.0083 7.9349 113.9365 57.2731 39.6876 174.8662 70 K 4.6239 7.9824 119.5840 53.6091 36.1961 175.5893 71 P 2.9700 0.0000 0.0000 64.0023 31.5341 176.0109 72 E 4.8749 7.6258 117.6563 54.3493 32.5784 174.9937 73 T 4.6835 8.1069 112.6930 59.0213 70.2934 173.3134 74 P 4.3234 0.0000 0.0000 66.1516 30.8206 179.1850 75 G 3.9200 7.7819 102.7065 47.3406 0.0000 176.2362 76 G 3.6279 8.1755 108.1946 47.6686 0.0000 175.9909 77 K 4.1457 7.3458 116.8632 58.7945 32.3094 179.1061 78 T 4.1155 7.5196 116.1809 65.9612 68.2285 176.8448 79 V 3.6636 7.4254 119.5268 66.2149 31.5955 177.0771 80 R 4.1218 8.1763 116.5160 59.7183 31.6123 177.6840 81 R 3.7506 7.8913 105.5329 58.5420 29.5299 176.8745 82 S 4.2738 8.9633 121.9263 58.8576 62.9241 174.3499 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 10 R 8.25 4.23 0.00 1.90 1.06 0.00 2.99 0.00 0.00 3.22 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 11 S 8.73 4.02 0.00 4.04 4.10 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 12 G 7.73 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.06 0.00 1.87 1.97 0.00 2.84 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 0.00 14 F 8.42 5.05 0.00 3.46 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 15 G 7.59 3.71 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 0.00 0.00 0.00 16 A 8.63 4.48 1.24 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 0.00 0.00 17 R 7.49 4.06 0.00 1.12 0.66 0.00 2.79 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.36 0.00 18 Y 7.89 3.91 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 3.99 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 0.00 0.00 0.00 20 R 7.93 3.91 0.00 1.88 1.88 0.00 3.18 0.00 0.00 3.28 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 21 V 7.69 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 1.16 0.00 0.00 0.94 0.00 0.00 22 S 8.35 4.11 0.00 4.06 3.78 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 23 R 8.31 4.33 0.00 2.35 2.61 0.00 2.95 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.75 0.00 24 R 8.50 3.93 0.00 1.93 2.22 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 25 R 8.39 4.05 0.00 1.93 1.93 0.00 3.16 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 26 V 7.56 3.50 2.37 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 1.16 0.00 0.00 1.13 0.00 0.00 27 A 7.85 3.97 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 28 E 8.14 3.90 0.00 2.19 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 2.34 2.50 0.00 29 I 7.87 3.68 1.77 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 1.44 0.98 0.59 0.00 0.00 30 E 8.54 4.09 0.00 2.01 2.00 0.00 0.00 0.00 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 2.54 0.00 31 S 8.33 4.07 0.00 4.03 4.04 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 0.00 0.00 0.00 32 E 8.18 4.05 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 33 M 7.90 4.69 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.14 2.70 0.00 34 N 8.28 4.76 0.00 2.78 2.89 0.00 0.00 7.08 7.18 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 35 E 6.97 4.15 0.00 1.92 1.80 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 2.35 2.53 0.00 36 D 8.34 4.52 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 5.03 0.00 3.23 3.11 0.00 5.61 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 38 A 8.71 4.34 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 39 C 8.81 4.13 0.00 3.15 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 40 P 0.00 4.22 0.00 1.82 1.87 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.74 0.00 41 N 7.38 3.59 0.00 2.38 2.54 0.00 0.00 6.92 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 42 C 8.01 4.57 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 4.13 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 0.00 0.00 0.00 44 E 8.11 3.99 0.00 1.99 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 0.00 1.61 2.15 0.00 45 D 8.33 5.56 0.00 2.59 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 46 R 7.72 4.80 0.00 1.82 1.97 0.00 3.23 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 47 V 8.24 4.94 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 1.14 0.00 0.00 1.25 0.00 0.00 48 D 9.32 5.34 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 49 R 8.65 3.30 0.00 1.10 1.47 0.00 2.98 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 50 Q 8.38 4.22 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 51 G 6.50 3.69 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 0.00 0.00 0.00 0.00 52 T 8.41 3.67 4.11 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 0.00 0.00 0.00 1.03 0.00 0.00 53 G 8.46 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 0.00 0.00 0.00 0.00 54 I 6.81 4.64 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.71 0.00 0.00 55 W 8.65 5.02 0.00 1.78 2.64 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 0.00 0.00 0.00 0.00 56 Q 8.79 5.79 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 57 C 9.02 5.13 0.00 3.34 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 58 S 9.57 4.24 0.00 3.94 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 59 Y 8.34 4.54 0.00 2.89 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.97 4.12 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.39 4.68 0.00 2.92 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 62 Y 8.04 4.52 0.00 3.06 3.04 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 0.00 0.00 0.00 63 K 8.47 5.13 0.00 1.75 1.58 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.32 7.81 64 F 9.06 4.94 0.00 2.99 2.35 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 65 T 8.62 4.80 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 1.23 0.00 0.00 66 G 8.13 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.57 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 68 S 8.57 3.97 0.00 3.35 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 69 Y 7.93 5.01 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.98 4.62 0.00 1.77 1.59 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.51 7.81 71 P 0.00 2.97 0.00 1.80 0.80 0.00 3.03 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.00 72 E 7.63 4.87 0.00 1.84 1.81 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 2.16 2.17 0.00 73 T 8.11 4.68 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 1.24 0.00 0.00 74 P 0.00 4.32 0.00 2.19 2.17 0.00 3.61 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 2.13 2.18 0.00 75 G 7.78 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 0.00 0.00 0.00 76 G 8.18 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.35 4.15 0.00 1.71 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.64 7.81 78 T 7.52 4.12 4.44 0.00 0.00 0.00 0.00 0.00 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 79 V 7.43 3.66 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 0.76 0.00 0.00 1.00 0.00 0.00 80 R 8.18 4.12 0.00 2.00 2.01 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 81 R 7.89 3.75 0.00 2.08 1.35 0.00 3.20 0.00 0.00 3.27 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 82 S 8.96 4.27 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00