NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3618 8.2644 123.5821 52.2829 19.8228 176.1994 2 D 4.6210 8.3708 116.8518 51.3211 43.1428 173.7432 3 P 4.3025 0.0000 0.0000 62.4815 32.6375 175.4737 4 A 4.2206 8.5210 125.3948 52.0272 19.0965 176.5194 5 L 4.7898 8.1851 120.8045 52.5728 44.4740 176.4911 6 A 4.3299 8.3418 122.5996 52.3303 19.7338 176.1754 7 D 5.4955 8.6408 119.9437 53.1767 42.8064 176.4691 8 V 4.5514 8.4828 121.3946 59.6959 34.7508 174.6912 9 C 4.6976 8.8511 121.6709 56.9319 35.2827 174.5586 10 R 3.7805 8.9822 125.1046 59.7263 29.7368 178.9768 11 T 3.9611 7.5629 105.8139 63.8567 68.8025 175.2456 12 K 4.1756 7.5558 120.3897 57.3875 32.6304 177.3505 13 L 3.7681 7.2073 118.3078 53.7172 42.3715 175.9088 14 P 4.2953 0.0000 0.0000 62.6202 33.2387 177.8285 15 S 4.0969 8.5937 115.7295 62.0227 62.8182 176.9642 16 Q 4.0336 8.0031 120.6869 58.4913 28.5960 178.1929 17 A 4.0394 7.7406 121.5273 54.9900 18.3998 179.5394 18 Q 3.9176 7.8858 116.4748 58.9634 28.6264 178.5261 19 D 4.3457 7.9225 119.6015 57.7245 40.3630 178.8452 20 T 3.9442 7.7796 115.6518 66.7348 68.4033 176.6034 21 L 3.9519 7.8360 120.0752 57.7267 41.6284 179.4574 22 A 3.9572 8.0605 120.7013 55.0437 18.2967 179.6310 23 L 3.8736 8.2023 117.7438 57.9043 41.6579 179.7590 24 I 3.9933 8.1823 120.8030 63.9514 36.8491 178.1367 25 A 4.0125 7.8256 120.0556 55.1992 18.2479 179.0816 26 K 4.0600 7.9092 113.8574 55.9001 32.8963 176.2351 27 N 4.0672 9.1636 117.4960 54.5553 37.7464 174.4165 28 G 2.8327 7.9186 107.4293 43.3268 0.0000 171.6773 29 P 4.2125 0.0000 0.0000 62.5544 32.5379 175.1511 30 Y 4.8295 8.0231 117.4915 55.8518 39.6831 175.3003 31 P 4.1883 0.0000 0.0000 64.9005 31.7573 176.1416 32 Y 4.9392 8.0635 115.8459 55.7252 40.6632 176.2543 33 N 4.4370 8.8879 120.6476 56.4284 39.6853 175.9807 34 R 4.2688 8.0413 115.3749 56.5321 30.5486 175.4193 35 D 4.0899 7.7950 119.6782 55.1121 41.1302 176.9134 36 G 3.1970 7.8317 113.5136 44.6351 0.0000 173.9511 37 V 3.8607 6.8221 112.1509 60.8822 32.9527 176.1355 38 V 4.0340 8.2913 116.4007 61.9166 32.0725 175.4668 39 F 4.4618 8.3657 127.9912 57.1713 39.2483 175.6882 40 E 3.8522 8.2163 126.0606 56.9657 30.0642 176.0651 41 N 3.6156 6.1728 116.4143 53.9968 37.2767 175.8367 42 R 3.7888 7.5928 117.2243 59.1362 29.3426 177.9873 43 E 4.3146 8.0805 114.5824 55.6082 29.7871 176.3816 44 S 3.9696 7.6911 113.4673 59.4891 61.0555 174.0850 45 R 4.1134 7.5390 120.5418 58.1016 30.1038 177.0023 46 L 4.4809 7.2787 116.2910 51.4422 44.0939 174.4589 47 P 4.3284 0.0000 0.0000 62.6498 31.7298 176.4780 48 K 4.0865 8.6828 124.0650 56.4211 32.5044 175.9217 49 K 4.3919 8.2187 124.3056 54.3158 35.9820 175.3921 50 G 3.8389 8.0138 108.8622 44.9863 0.0000 172.5780 51 N 4.4266 8.3491 117.1827 54.5361 38.7683 176.1885 52 G 3.9581 8.8928 110.7854 45.4930 0.0000 173.6490 53 Y 3.9371 7.7713 120.4453 59.6243 39.3775 174.8975 54 Y 5.7637 7.6780 115.9279 55.9006 41.4203 174.7518 55 H 5.5178 8.7517 117.8633 54.2100 33.8173 172.1698 56 E 5.4253 8.7131 118.4051 54.9445 33.0744 174.8417 57 F 5.1082 8.8332 118.6369 56.3569 43.8078 174.2713 58 T 4.5264 9.8187 120.7261 63.6527 69.2159 174.0418 59 V 4.6597 8.3963 124.8345 59.8794 33.7668 175.5547 60 V 3.8576 8.7209 128.0712 63.6700 32.1771 174.9513 61 T 4.5903 7.7912 123.3291 61.3027 69.4310 173.2658 62 P 4.3044 0.0000 0.0000 63.8774 31.9746 176.4071 63 G 3.6623 8.5585 109.6141 46.4292 0.0000 172.8522 *66 D 4.4081 7.7740 116.9668 52.9341 40.4352 172.8476 67 R 4.5864 7.8597 114.7706 53.8776 33.1074 178.2152 68 G 3.9072 6.9571 107.7948 44.5217 0.0000 171.9702 69 T 4.4389 8.1616 108.0525 61.3974 71.1134 174.1844 70 R 4.3891 7.8216 122.9472 56.2126 31.4601 175.6931 71 R 5.1958 8.9210 122.0603 54.5863 35.2591 174.0571 72 V 5.1502 9.0675 121.9383 61.2372 34.6992 174.3278 73 V 5.1470 9.2149 127.7563 61.4186 34.1853 174.2602 74 T 5.0618 9.2013 118.3394 60.5168 71.4396 174.3141 75 G 4.2937 9.1405 111.4222 44.2031 0.0000 174.6180 76 G 3.1144 5.7254 107.5126 46.8532 0.0000 173.9806 77 Y 4.5410 8.2491 117.0581 57.7073 38.1874 176.6854 78 G 3.9681 8.0485 107.7527 44.8773 0.0000 174.1927 79 E 4.0937 7.9776 119.3794 56.6959 30.8106 175.9175 80 Q 5.0500 8.3049 120.8705 54.3353 33.0914 173.7470 81 Y 5.3094 9.4047 120.4953 56.0161 41.9097 174.2119 82 W 5.3494 9.5616 134.3660 56.3708 32.8745 174.8681 83 S 4.4414 9.1358 121.7303 54.5566 63.9803 172.4086 84 P 3.6192 0.0000 0.0000 63.2572 31.7229 175.8077 85 D 4.5730 6.7807 119.3018 54.3229 40.1177 174.7645 86 H 3.1785 8.8351 115.0061 58.4634 28.5027 173.9986 87 Y 3.1933 7.6517 112.9831 58.2055 36.7456 171.2317 88 A 4.0706 7.5056 123.9524 54.5154 18.9187 178.2200 89 T 4.6342 8.0334 104.4390 59.7359 71.9574 172.5712 90 F 5.2335 8.4090 119.5747 55.9837 43.0470 174.1159 91 Q 4.9305 9.3465 122.1117 53.7941 31.9148 174.5750 92 E 4.4099 9.1744 126.3568 56.2851 30.8425 175.7492 93 I 4.4673 8.5138 129.4237 61.0754 37.9248 175.3308 94 D 4.6689 9.3812 129.2561 53.0508 41.4561 175.0415 95 P 4.4879 0.0000 0.0000 63.8958 32.0338 177.3672 96 R 4.1428 8.1821 118.2746 58.2456 30.7302 174.1166 97 C 4.4715 7.8207 117.6586 55.5308 42.8504 173.6465 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 4.36 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.37 4.62 0.00 2.68 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 3 P 0.00 4.30 0.00 2.24 2.07 0.00 3.71 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 1.98 0.00 4 A 8.52 4.22 1.30 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 0.00 0.00 5 L 8.19 4.79 0.00 1.78 1.73 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.34 4.33 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 5.50 0.00 2.61 2.63 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 8 V 8.48 4.55 2.38 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 0.93 0.00 0.00 0.92 0.00 0.00 9 C 8.85 4.70 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 10 R 8.98 3.78 0.00 1.92 2.02 0.00 3.31 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 11 T 7.56 3.96 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 1.22 0.00 0.00 12 K 7.56 4.18 0.00 1.93 1.87 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.53 7.81 13 L 7.21 3.77 0.00 1.56 1.16 0.71 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.30 0.00 1.96 1.91 0.00 2.65 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.07 0.00 15 S 8.59 4.10 0.00 4.01 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 16 Q 8.00 4.03 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 17 A 7.74 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.89 3.92 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 19 D 7.92 4.35 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.94 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 L 7.84 3.95 0.00 1.85 1.68 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.06 3.96 1.35 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 0.00 0.00 23 L 8.20 3.87 0.00 2.06 1.86 1.06 1.10 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 24 I 8.18 3.99 1.89 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 1.57 0.72 0.00 0.00 25 A 7.83 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.06 0.00 1.90 1.78 0.00 1.96 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.40 7.81 27 N 9.16 4.07 0.00 2.80 2.84 0.00 0.00 7.18 7.55 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 28 G 7.92 2.83 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 0.00 0.00 0.00 29 P 0.00 4.21 0.00 2.13 1.98 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 1.90 1.91 0.00 30 Y 8.02 4.83 0.00 3.27 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 31 P 0.00 4.19 0.00 1.45 2.01 0.00 4.13 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 2.19 2.04 0.00 32 Y 8.06 4.94 0.00 3.18 2.88 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 33 N 8.89 4.44 0.00 2.74 2.91 0.00 0.00 7.06 7.65 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 34 R 8.04 4.27 0.00 1.96 1.93 0.00 3.20 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 35 D 7.79 4.09 0.00 2.79 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 0.00 0.00 0.00 0.00 36 G 7.83 3.20 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 0.00 0.00 0.00 37 V 6.82 3.86 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 0.75 0.00 0.00 0.99 0.00 0.00 38 V 8.29 4.03 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 0.59 0.00 0.00 0.90 0.00 0.00 39 F 8.37 4.46 0.00 2.90 2.93 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 40 E 8.22 3.85 0.00 1.64 1.78 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 2.18 2.11 0.00 41 N 6.17 3.62 0.00 2.70 2.73 0.00 0.00 7.23 7.65 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 42 R 7.59 3.79 0.00 1.68 1.89 0.00 3.16 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 43 E 8.08 4.31 0.00 2.12 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 2.37 2.37 0.00 44 S 7.69 3.97 0.00 3.95 3.91 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 45 R 7.54 4.11 0.00 2.29 2.17 0.00 3.35 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 46 L 7.28 4.48 0.00 1.20 0.98 -0.65 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.33 0.00 2.13 2.05 0.00 3.74 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 48 K 8.68 4.09 0.00 1.70 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.38 7.81 49 K 8.22 4.39 0.00 1.15 0.76 0.00 0.91 0.00 0.00 1.36 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 0.26 7.81 50 G 8.01 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 0.00 0.00 0.00 51 N 8.35 4.43 0.00 2.72 2.76 0.00 0.00 7.01 7.65 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 52 G 8.89 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.77 3.94 0.00 3.01 2.53 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 54 Y 7.68 5.76 0.00 3.36 2.88 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 55 H 8.75 5.52 0.00 3.23 2.99 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.71 5.43 0.00 2.19 1.99 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 2.26 2.46 0.00 57 F 8.83 5.11 0.00 3.01 2.92 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 58 T 9.82 4.53 4.54 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 1.13 0.00 0.00 59 V 8.40 4.66 2.39 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 1.16 0.00 0.00 1.24 0.00 0.00 60 V 8.72 3.86 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 0.90 0.00 0.00 1.08 0.00 0.00 61 T 7.79 4.59 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 1.24 0.00 0.00 62 P 0.00 4.30 0.00 2.06 2.00 0.00 3.74 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 2.05 2.11 0.00 63 G 8.56 3.66 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 0.00 0.00 0.00 *66 D 7.77 4.41 0.00 2.82 2.76 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 0.00 0.00 0.00 67 R 7.86 4.59 0.00 1.54 1.59 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.00 68 G 6.96 3.91 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 0.00 0.00 0.00 69 T 8.16 4.44 4.16 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 0.00 0.00 0.00 1.11 0.00 0.00 70 R 7.82 4.39 0.00 2.15 2.22 0.00 3.30 0.00 0.00 3.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 71 R 8.92 5.20 0.00 1.47 1.87 0.00 3.31 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.00 72 V 9.07 5.15 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 1.13 0.00 0.00 1.18 0.00 0.00 73 V 9.21 5.15 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 0.69 0.00 0.00 0.64 0.00 0.00 74 T 9.20 5.06 4.32 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 1.26 0.00 0.00 75 G 9.14 4.29 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 0.00 76 G 5.73 3.11 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 0.00 0.00 0.00 0.00 77 Y 8.25 4.54 0.00 3.15 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 78 G 8.05 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 79 E 7.98 4.09 0.00 2.07 1.65 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 2.54 2.49 0.00 80 Q 8.30 5.05 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 81 Y 9.40 5.31 0.00 3.00 2.96 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 0.00 0.00 0.00 0.00 82 W 9.56 5.35 0.00 3.38 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.14 4.44 0.00 3.38 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 84 P 0.00 3.62 0.00 2.03 1.80 0.00 3.16 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 85 D 6.78 4.57 0.00 2.69 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 86 H 8.84 3.18 0.00 2.97 3.08 0.00 5.83 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.65 3.19 0.00 3.23 3.18 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 0.00 0.00 0.00 0.00 88 A 7.51 4.07 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 89 T 8.03 4.63 4.16 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 0.00 0.00 0.00 1.15 0.00 0.00 90 F 8.41 5.23 0.00 2.82 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 91 Q 9.35 4.93 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 92 E 9.17 4.41 0.00 2.28 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 0.00 2.22 1.91 0.00 93 I 8.51 4.47 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.89 0.00 0.00 94 D 9.38 4.67 0.00 2.69 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 95 P 0.00 4.49 0.00 2.20 2.12 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 96 R 8.18 4.14 0.00 1.98 2.02 0.00 3.11 0.00 0.00 3.55 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 97 C 7.82 4.47 0.00 3.03 3.09 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 * Residues marked with a * may have inaccurate shift predictions.