NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3189 8.1849 120.6285 54.7301 43.2771 176.2173 3 M 4.2034 8.3527 122.6839 54.1988 33.7234 169.7805 4 V 4.7571 9.0614 123.1125 61.5576 33.6141 175.0030 5 V 4.6435 8.9638 120.7612 58.6514 36.0479 173.8189 6 P 4.7739 0.0000 0.0000 62.2549 32.1736 177.5401 7 L 3.9884 8.7942 124.2028 58.1366 42.2334 179.5027 8 S 4.2196 8.1413 112.6342 60.5635 62.9051 175.0414 9 E 4.4756 8.0248 118.7396 56.5129 29.8708 176.0691 10 M 4.3196 7.7924 119.2660 54.5956 33.1604 176.0651 11 G 4.0559 9.0183 111.0505 43.0780 0.0000 171.5664 12 P 4.6366 0.0000 0.0000 63.8543 31.7012 176.8371 13 G 4.0750 9.2715 111.5022 45.3714 0.0000 173.8514 14 D 4.5649 7.9945 119.9299 54.3876 41.9358 175.8667 15 K 5.0553 8.5711 121.1157 55.1328 36.0251 175.1252 16 G 4.5273 8.9242 108.8428 45.9252 0.0000 171.4387 17 I 5.0764 8.3887 120.4634 59.0199 39.9566 175.9967 18 V 3.9527 8.6739 127.5868 63.6338 31.9127 175.9804 19 V 3.9958 8.9281 129.2118 64.0163 32.1620 175.1817 20 N 4.6704 7.6037 114.8003 52.4315 40.4568 172.2157 21 I 4.8410 8.2667 119.8947 59.1754 39.2199 175.6909 22 L 4.3400 8.6643 128.5513 55.5790 41.5330 178.0933 *26 N 4.6231 8.4963 117.4638 53.8017 40.4851 175.2878 27 A 4.4126 7.7092 117.2269 52.1373 18.5457 178.5958 28 R 3.7765 7.9179 120.6983 60.2284 30.1044 178.3530 29 Q 3.8847 7.9703 118.6433 59.0014 29.1051 177.5876 30 K 3.7711 8.0868 120.1658 59.7459 32.1099 178.4493 31 L 3.8749 8.0939 119.1059 57.8208 41.4918 179.6237 32 V 3.5704 8.0556 118.5465 65.9690 31.2393 177.5309 33 S 4.3490 7.9946 112.2064 59.6744 62.8444 175.0117 34 M 2.7560 6.9073 120.4014 54.0672 32.0736 176.7396 35 G 3.8597 7.9686 107.2740 45.5500 0.0000 175.1049 36 L 4.3466 7.4119 120.6787 53.3605 40.4713 175.5473 37 T 4.6467 7.5953 115.9745 58.8727 70.8777 171.3665 38 P 4.6360 0.0000 0.0000 64.5717 31.6995 176.3862 39 G 3.9874 9.1613 111.7484 45.1494 0.0000 173.9097 40 A 4.2356 7.9035 121.3865 52.3159 20.2950 176.5262 41 T 4.9488 8.4334 116.8777 62.1894 70.5324 174.0228 42 I 4.9815 9.0095 119.6689 59.0496 41.3560 174.0242 43 Q 4.9894 8.9410 124.6204 54.3785 32.2966 174.1645 44 V 4.3135 8.9315 126.6655 62.2929 32.4352 176.1491 45 L 4.5866 8.9136 127.6699 56.0791 43.6196 176.8011 46 E 4.5627 7.7029 117.7704 55.3144 33.2032 174.5844 47 S 4.5624 8.5432 120.9229 57.2744 63.3763 172.2766 48 H 4.0219 7.4617 123.5229 54.4106 27.9586 174.4510 49 P 4.3722 0.0000 0.0000 62.9858 32.4661 177.8179 50 M 2.9753 9.0518 115.5219 53.1870 30.5040 178.6354 51 G 4.0516 7.1607 104.4313 43.3002 0.0000 171.6192 52 P 4.6313 0.0000 0.0000 62.5995 32.5262 175.8513 53 I 4.2719 9.1327 123.0704 60.9789 38.8446 174.9238 54 I 4.8981 8.8913 128.4771 59.8879 38.7898 174.9558 55 I 5.0930 8.9225 120.3307 59.0234 41.5957 174.0996 56 S 5.1544 9.1165 117.2062 56.5079 65.4472 172.7373 57 V 4.5732 8.9200 126.8347 61.4288 34.4086 175.5779 58 G 4.0625 9.1136 116.3248 46.7397 0.0000 174.2917 59 G 3.8928 8.6089 105.3151 44.9294 0.0000 173.8889 60 V 4.3030 7.7097 119.8668 60.7135 34.2229 174.3561 61 R 4.8401 8.1500 127.6496 55.4552 31.1572 175.2572 62 F 5.0228 9.1920 123.4491 55.6890 43.8295 173.2131 63 A 5.2092 8.7907 122.7866 50.3104 20.9126 175.8810 64 I 4.5302 9.1157 123.0265 58.6214 41.4153 175.4380 65 G 3.9773 8.6857 117.4807 45.2964 0.0000 174.3697 66 K 4.0980 8.7203 122.3241 58.9743 31.9748 179.6430 67 G 3.5119 7.9263 104.9908 47.6632 0.0000 174.7873 68 L 4.0777 7.9369 122.9477 57.7525 42.2241 178.7556 69 A 4.1381 8.4953 120.9901 55.0823 18.0268 179.4278 70 G 3.8768 7.8905 102.6163 46.7674 0.0000 174.9784 71 R 4.5398 7.9413 119.3710 55.1454 30.4816 175.2933 72 V 4.4533 7.2450 120.8395 61.7093 33.1413 174.4117 73 M 4.7908 9.0835 129.1617 54.3364 33.8043 175.5519 74 V 4.7746 8.9212 123.5116 60.9292 35.2077 174.3493 75 R 4.6682 9.1349 129.1886 55.5448 30.7271 175.0429 76 K 4.5353 8.9042 129.7824 56.0272 33.0739 176.7243 77 L 4.3197 8.5859 126.5684 55.0153 41.2993 176.6921 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 2 L 8.18 4.32 0.00 1.65 1.85 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 3 M 8.35 4.20 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 4 V 9.06 4.76 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 0.84 0.00 0.00 0.93 0.00 0.00 5 V 8.96 4.64 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 0.65 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.77 0.00 2.17 2.14 0.00 3.74 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 2.29 2.07 0.00 7 L 8.79 3.99 0.00 1.71 1.89 0.93 1.12 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 8 S 8.14 4.22 0.00 4.04 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 9 E 8.02 4.48 0.00 2.10 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 2.28 2.26 0.00 10 M 7.79 4.32 0.00 2.03 2.10 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 2.78 2.48 0.00 11 G 9.02 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 0.00 0.00 0.00 12 P 0.00 4.64 0.00 2.05 2.20 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 2.05 0.00 13 G 9.27 4.08 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 0.00 0.00 0.00 14 D 7.99 4.56 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 5.06 0.00 1.68 1.68 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.41 7.81 16 G 8.92 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 5.08 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.95 0.00 0.00 18 V 8.67 3.95 2.24 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 0.88 0.00 0.00 0.96 0.00 0.00 19 V 8.93 4.00 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 0.83 0.00 0.00 0.99 0.00 0.00 20 N 7.60 4.67 0.00 2.74 2.85 0.00 0.00 5.94 7.84 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 21 I 8.27 4.84 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 0.90 0.00 0.00 22 L 8.66 4.34 0.00 1.49 1.67 0.92 0.89 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 *26 N 8.50 4.62 0.00 2.70 2.87 0.00 0.00 7.17 7.96 0.00 0.00 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 A 7.71 4.41 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 28 R 7.92 3.78 0.00 1.87 1.93 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 29 Q 7.97 3.88 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 30 K 8.09 3.77 0.00 1.83 1.98 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.53 7.81 31 L 8.09 3.87 0.00 1.83 1.64 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.06 3.57 2.04 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 1.09 0.00 0.00 0.94 0.00 0.00 33 S 7.99 4.35 0.00 3.92 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 34 M 6.91 2.76 0.00 1.27 1.66 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.84 0.00 35 G 7.97 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 36 L 7.41 4.35 0.00 1.74 1.60 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.60 4.65 4.21 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 1.25 0.00 0.00 38 P 0.00 4.64 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 39 G 9.16 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 40 A 7.90 4.24 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 41 T 8.43 4.95 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 1.26 0.00 0.00 42 I 9.01 4.98 1.89 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 1.12 1.07 0.92 0.00 0.00 43 Q 8.94 4.99 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 44 V 8.93 4.31 2.24 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 0.89 0.00 0.00 0.94 0.00 0.00 45 L 8.91 4.59 0.00 1.62 1.68 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.70 4.56 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 47 S 8.54 4.56 0.00 3.77 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 48 H 7.46 4.02 0.00 3.33 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.06 2.12 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 50 M 9.05 2.98 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 51 G 7.16 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 0.00 0.00 0.00 52 P 0.00 4.63 0.00 2.11 2.09 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 53 I 9.13 4.27 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.95 0.00 0.00 54 I 8.89 4.90 1.87 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 1.28 0.87 0.96 0.00 0.00 55 I 8.92 5.09 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 0.94 0.00 0.00 56 S 9.12 5.15 0.00 3.86 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 57 V 8.92 4.57 2.25 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 0.97 0.00 0.00 1.04 0.00 0.00 58 G 9.11 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 0.00 0.00 0.00 59 G 8.61 3.89 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 0.00 0.00 0.00 60 V 7.71 4.30 2.14 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 0.58 0.00 0.00 0.94 0.00 0.00 61 R 8.15 4.84 0.00 1.74 1.61 0.00 3.20 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 62 F 9.19 5.02 0.00 2.98 2.87 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 63 A 8.79 5.21 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 64 I 9.12 4.53 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.98 0.00 0.00 65 G 8.69 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 0.00 0.00 0.00 66 K 8.72 4.10 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.57 7.81 67 G 7.93 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.08 0.00 1.76 1.81 0.91 0.94 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 69 A 8.50 4.14 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 70 G 7.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.94 4.54 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.08 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 72 V 7.25 4.45 2.07 0.00 0.00 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 0.00 0.00 0.96 0.00 0.00 73 M 9.08 4.79 0.00 1.93 2.25 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 74 V 8.92 4.77 2.19 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 0.82 0.00 0.00 0.93 0.00 0.00 75 R 9.13 4.67 0.00 1.89 1.81 0.00 3.14 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 76 K 8.90 4.54 0.00 1.78 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.42 7.81 77 L 8.59 4.32 0.00 1.57 1.56 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.