NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4508 8.1849 120.5873 54.6738 43.4734 175.9019 4 D 4.7715 8.7111 123.3304 52.0664 42.8172 174.3107 5 W 4.9149 9.0586 123.8375 56.4368 31.3499 175.6874 6 T 4.2856 8.1190 111.7137 61.9087 70.1498 171.4156 7 C 5.2499 9.1186 128.3389 57.7344 33.0049 172.6272 8 K 4.7406 8.6773 124.7732 54.4327 34.7036 175.8003 9 H 4.2243 8.6262 122.4911 55.8256 30.8355 176.0779 10 H 4.3575 8.4481 120.4862 58.0850 28.3688 177.1760 11 A 4.1711 8.0797 121.9279 54.1921 18.4803 177.5177 12 D 4.7394 8.1374 114.3025 54.1339 41.6386 177.1057 13 L 4.3903 7.3434 119.2118 55.2486 42.3087 177.2545 14 T 4.5745 8.8187 112.8140 59.9583 72.1703 175.8817 15 L 3.9975 8.3238 121.3090 58.2021 41.6494 180.0625 16 K 4.0587 8.0083 117.7003 59.3243 32.0185 179.1692 17 E 4.2577 8.1443 118.4475 59.3949 29.4935 178.9435 18 L 3.8671 8.0811 120.3138 58.3579 42.1257 178.1796 19 Y 3.9424 8.3639 119.2994 60.7164 38.7653 177.6626 20 A 4.0635 8.6388 122.1379 55.4573 18.5340 179.6461 21 L 3.6086 8.3192 118.2494 58.8171 40.3090 179.4880 22 L 3.9078 7.7870 119.8876 57.3061 41.5281 179.0959 23 Q 3.7413 8.1315 120.0263 58.9126 29.0684 178.1510 24 L 3.8473 7.7801 121.1813 58.3845 42.0253 179.0889 25 R 4.2121 7.9667 117.8726 59.6164 29.8473 179.2653 26 T 4.0839 8.0025 115.8811 66.4086 68.6252 176.8778 27 E 3.9343 8.3310 119.5810 59.3491 29.5084 178.6864 28 V 3.6735 7.6728 119.1211 65.1647 31.4761 177.9259 29 F 4.3245 7.6342 117.7363 60.5077 39.2403 177.6553 30 V 4.3298 7.8753 118.4143 65.4298 31.6802 177.3475 31 V 3.8887 8.1069 118.5915 65.3042 31.3116 177.5765 32 E 4.0522 8.9886 119.5120 58.6087 29.7700 178.0774 33 Q 4.2834 7.9818 117.1829 54.2848 30.4779 175.0224 34 K 3.6886 7.9500 120.7132 57.2595 30.6512 175.5382 35 C 4.5755 8.5765 119.1434 57.2303 34.0998 172.3666 36 P 4.8515 0.0000 0.0000 62.2815 29.4983 174.5436 37 Y 4.6852 7.6087 116.9673 55.3786 40.9872 176.5568 38 Q 3.9026 8.2317 121.3636 55.3863 27.8012 174.9501 39 E 3.2909 7.9252 126.7336 58.3050 30.0408 177.6872 40 V 3.9457 7.6763 120.8220 61.4736 29.7299 175.6535 41 D 4.2656 7.9288 119.8693 53.4296 39.9526 178.3637 42 G 3.8927 7.7056 108.0334 46.0362 0.0000 174.0756 43 L 4.5444 8.0920 117.6124 54.5498 42.2594 177.3436 44 D 4.6411 8.0581 119.2818 56.2499 41.4566 176.8341 45 L 4.7264 7.6331 117.8008 53.8932 42.4438 176.0448 46 V 4.5408 6.8737 110.4210 60.1293 37.2953 180.0147 47 G 4.0565 8.4163 111.7263 47.2959 0.0000 173.9477 48 D 5.2999 8.8590 119.6870 53.6809 41.5855 175.0180 49 T 4.4402 8.2547 108.6521 62.5237 70.2709 173.0320 50 H 5.4361 9.6535 120.9076 54.4715 32.8496 172.8526 51 H 5.3466 9.2616 117.4890 54.3024 31.6841 172.8939 52 L 5.4401 8.8954 125.5850 52.9559 44.6740 175.3046 *54 A 3.9760 8.2820 123.8932 51.5203 19.9168 175.4342 55 W 4.8811 8.8183 122.7521 55.7434 31.4421 176.2572 56 R 4.9221 8.8185 124.1974 55.3185 29.4503 173.1131 57 D 4.2386 9.2229 121.1501 54.8189 37.7929 174.5374 58 G 4.1576 8.7831 104.8549 45.5820 0.0000 171.0803 59 Q 4.5307 7.7861 118.4244 53.7938 32.6693 173.9134 60 L 3.3120 8.0777 124.8304 54.4704 42.1212 175.7893 61 L 4.5199 8.5010 126.0804 55.2020 44.2160 176.5013 62 A 4.8678 7.3549 118.3762 50.3691 22.1438 174.9479 63 Y 5.6822 9.5884 121.7489 57.0794 42.9513 173.3975 64 L 5.0071 7.2881 123.5607 54.7678 44.2147 173.8915 65 R 4.9752 8.8160 120.6474 54.5459 33.4486 174.4334 66 L 5.2107 8.7069 123.8731 53.0420 45.2318 175.3148 67 L 4.9586 8.5776 124.6356 52.7209 43.7809 176.2104 68 D 3.4290 8.5160 123.3017 51.9202 40.4872 175.1247 69 P 4.2663 0.0000 0.0000 65.1712 31.0813 178.5267 70 V 3.4537 7.6876 117.0695 65.3186 31.3918 176.4216 71 R 4.2872 7.4773 116.2612 56.5472 30.7712 176.6589 72 H 4.7159 8.1362 115.7266 56.0396 29.9201 173.2343 73 E 3.7752 8.9901 111.9927 57.5377 27.4914 176.2099 74 G 3.8649 8.3619 101.1531 46.1761 0.0000 173.4883 75 Q 4.7554 7.8287 118.0810 53.4848 32.8450 174.9694 76 V 3.6230 8.4378 124.6027 61.3237 33.1111 175.1051 77 V 4.8319 8.0639 124.5627 61.3185 33.5844 174.2666 78 I 4.7293 9.0103 129.5737 60.3216 39.3132 175.1461 79 G 3.8980 8.9600 111.8387 45.2933 0.0000 172.6912 80 R 3.8461 8.2279 115.4234 57.0213 27.5147 177.3571 81 V 4.1103 7.9619 117.7889 62.8280 31.9651 175.4714 82 V 4.7478 9.6828 128.6145 59.9926 35.2286 174.6502 83 S 5.0469 8.3175 115.3426 56.3744 65.7096 173.5129 84 S 3.9939 9.7743 118.3758 59.1102 62.4581 175.4748 85 S 4.0722 8.8043 120.7356 61.0329 62.5897 175.0988 86 A 4.0401 7.9937 122.2424 54.5745 18.3653 177.4684 87 A 4.5915 7.6474 117.2229 52.1123 19.0579 177.3031 88 R 4.0532 7.6931 117.4970 58.9247 30.5469 177.5923 89 G 3.9688 8.8416 108.9986 45.8374 0.0000 174.0390 90 Q 4.2188 7.6187 116.1534 55.3849 28.8730 175.7914 91 G 3.9502 7.8514 105.9261 47.0048 0.0000 175.6448 92 L 4.2550 7.9395 120.7379 57.1779 42.3653 178.7522 93 G 4.0527 8.2457 103.9996 48.5913 0.0000 174.7302 94 H 4.6796 8.1210 118.2249 58.1631 29.1075 177.4949 95 Q 4.1258 7.7882 119.4879 58.7333 28.4874 178.6216 96 L 4.0157 8.5880 116.6393 56.0187 41.3062 178.2137 *98 E 4.2336 8.0055 121.7817 56.2570 31.5130 177.8965 99 R 3.8457 7.7161 117.8437 58.8140 29.9283 178.1766 100 A 3.9682 8.3832 121.4575 55.2259 18.5456 179.5602 101 L 4.0305 7.8872 116.5369 57.6387 41.3924 179.6181 102 Q 3.8720 7.8456 119.0621 59.2723 29.1224 178.1400 103 A 3.9044 7.9245 121.0461 54.7793 18.3036 179.4632 104 A 4.0958 7.9653 119.4895 55.5523 18.6567 179.4480 105 E 4.0261 8.0748 117.5619 59.0786 29.3762 179.2723 106 R 3.8647 7.3879 115.2097 59.2376 30.0266 178.4164 107 L 3.6438 7.7008 119.3761 55.6743 42.7153 177.9494 108 W 5.2007 7.9888 116.2628 54.1497 29.7338 174.9797 109 L 4.2876 7.8109 118.4531 56.2537 42.4893 176.3059 110 D 4.4576 8.7899 124.3345 56.1577 38.2703 173.9128 111 T 4.6575 7.7154 113.5739 60.6092 72.0305 172.7097 112 P 4.5053 0.0000 0.0000 63.1498 32.7163 175.1598 113 V 4.8062 8.5403 122.6483 61.7273 33.7465 173.8695 114 Y 5.2705 9.0771 127.9082 56.0613 42.3660 173.8934 115 L 4.3146 6.7069 121.4616 55.6839 43.0551 175.1325 116 S 4.5518 8.2719 116.8116 57.0576 61.1294 172.9821 117 A 4.2499 8.0087 126.5587 50.6226 20.4148 176.6276 118 Q 4.0904 8.9790 119.1088 57.0423 29.0097 178.1610 119 A 3.7860 8.5256 128.1773 55.3925 18.8744 178.9073 120 H 4.4411 7.9944 108.6244 57.3481 28.9732 175.6804 121 L 4.7147 8.3566 121.0069 55.0682 42.0741 178.2839 122 Q 4.0460 8.0023 119.5648 59.2382 28.3757 178.6018 123 A 4.0395 8.0490 119.5909 56.0605 18.6985 177.9916 124 Y 4.1710 8.2562 116.4401 62.3347 38.5628 177.9659 125 Y 4.4353 8.4013 117.7866 60.7860 38.1107 178.8846 126 G 4.3253 8.8626 107.3791 47.9575 0.0000 175.3820 127 R 4.2154 7.9370 118.0996 57.7621 30.0035 177.2841 128 Y 4.6028 8.5915 116.6243 57.4812 38.2992 176.6890 129 G 4.1891 7.9594 108.8009 44.9718 0.0000 173.0450 130 F 4.6675 8.3519 118.3909 56.5653 40.7157 174.8513 131 V 4.8304 8.5111 121.5940 60.6853 34.3086 175.1940 132 A 4.5362 8.8345 128.7263 52.5544 18.7714 177.6449 133 V 4.4355 9.1910 111.9462 60.8165 33.8829 175.1057 134 T 4.7030 7.5986 108.5781 59.7578 71.8799 171.8318 135 E 4.5692 8.5517 122.3414 55.5633 31.6551 175.5726 136 V 4.5113 8.3006 119.4691 61.2339 32.5761 174.8251 137 Y 4.9581 8.8983 121.5028 55.8750 42.3308 173.2892 138 L 4.7569 8.6619 119.5913 53.3701 42.6933 177.6108 139 E 4.4164 8.6825 127.2684 54.6666 28.5151 173.1805 140 D 4.1862 7.8745 121.7825 56.0097 37.7338 174.0371 141 D 4.2688 8.0135 122.9096 53.4173 38.8210 174.0802 142 I 4.0674 6.8697 114.6862 59.1870 42.2799 171.8846 143 P 4.6955 0.0000 0.0000 63.9567 32.0208 174.9793 144 H 5.1724 9.7657 121.2866 53.7874 33.5019 172.2893 145 I 4.8237 8.3942 119.2045 59.6972 41.7305 174.8785 146 G 4.2965 9.8371 117.4025 45.1432 0.0000 172.2617 *148 R 4.7977 8.2616 115.1766 55.9495 31.4264 175.7286 149 R 4.3829 8.4296 120.5613 55.5353 30.1794 175.3085 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 3 L 8.18 4.45 0.00 1.67 1.36 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.71 4.77 0.00 2.65 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 5 W 9.06 4.91 0.00 3.23 3.26 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 0.00 6 T 8.12 4.29 4.39 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 1.47 0.00 0.00 7 C 9.12 5.25 0.00 3.09 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 8 K 8.68 4.74 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 9 H 8.63 4.22 0.00 3.05 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.45 4.36 0.00 3.58 3.84 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.08 4.17 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 12 D 8.14 4.74 0.00 2.77 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 13 L 7.34 4.39 0.00 1.78 1.64 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.82 4.57 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 1.18 0.00 0.00 15 L 8.32 4.00 0.00 1.69 1.77 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.01 4.06 0.00 1.72 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.42 7.81 17 E 8.14 4.26 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 18 L 8.08 3.87 0.00 1.90 1.73 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.36 3.94 0.00 3.15 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 20 A 8.64 4.06 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 3.61 0.00 0.83 1.53 0.65 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.79 3.91 0.00 1.66 1.59 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.13 3.74 0.00 1.71 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 24 L 7.78 3.85 0.00 1.68 1.54 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.97 4.21 0.00 2.14 2.35 0.00 3.78 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 26 T 8.00 4.08 4.33 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 1.20 0.00 0.00 27 E 8.33 3.93 0.00 2.17 2.18 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 2.42 2.25 0.00 28 V 7.67 3.67 1.59 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 0.60 0.00 0.00 0.83 0.00 0.00 29 F 7.63 4.32 0.00 3.53 3.22 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 30 V 7.88 4.33 2.33 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 1.50 0.00 0.00 1.10 0.00 0.00 31 V 8.11 3.89 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 1.01 0.00 0.00 1.00 0.00 0.00 32 E 8.99 4.05 0.00 2.08 2.05 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 2.49 2.32 0.00 33 Q 7.98 4.28 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 34 K 7.95 3.69 0.00 1.83 1.81 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.42 7.81 35 C 8.58 4.58 0.00 2.94 2.97 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 36 P 0.00 4.85 0.00 2.27 2.13 0.00 3.83 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 2.04 1.99 0.00 37 Y 7.61 4.69 0.00 3.11 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 38 Q 8.23 3.90 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 39 E 7.93 3.29 0.00 1.60 1.74 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 2.27 2.27 0.00 40 V 7.68 3.95 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 0.90 0.00 0.00 0.85 0.00 0.00 41 D 7.93 4.27 0.00 2.82 2.74 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 42 G 7.71 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 43 L 8.09 4.54 0.00 1.77 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.06 4.64 0.00 2.71 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.73 0.00 1.60 1.66 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 V 6.87 4.54 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 0.91 0.00 0.00 0.92 0.00 0.00 47 G 8.42 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 48 D 8.86 5.30 0.00 2.87 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 49 T 8.25 4.44 4.36 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 0.00 0.00 0.00 1.35 0.00 0.00 50 H 9.65 5.44 0.00 3.28 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.26 5.35 0.00 3.25 3.64 0.00 5.60 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.90 5.44 0.00 1.89 1.70 1.15 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.28 3.98 -0.37 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 55 W 8.82 4.88 0.00 3.24 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 56 R 8.82 4.92 0.00 1.59 1.77 0.00 3.47 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 57 D 9.22 4.24 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.78 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 0.00 0.00 0.00 0.00 59 Q 7.79 4.53 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 60 L 8.08 3.31 0.00 0.27 0.97 0.65 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.50 4.52 0.00 1.47 1.53 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.35 4.87 1.09 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 63 Y 9.59 5.68 0.00 2.96 2.77 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 64 L 7.29 5.01 0.00 1.60 1.56 0.84 0.61 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 65 R 8.82 4.98 0.00 1.89 1.87 0.00 3.09 0.00 0.00 3.47 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 66 L 8.71 5.21 0.00 1.97 1.89 1.00 0.72 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 67 L 8.58 4.96 0.00 1.56 1.35 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.52 3.43 0.00 2.72 2.97 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 69 P 0.00 4.27 0.00 2.08 2.05 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 70 V 7.69 3.45 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 0.81 0.00 0.00 0.93 0.00 0.00 71 R 7.48 4.29 0.00 1.82 1.68 0.00 3.51 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 72 H 8.14 4.72 0.00 3.16 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.99 3.78 0.00 1.93 1.91 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 2.15 2.27 0.00 74 G 8.36 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 75 Q 7.83 4.76 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 76 V 8.44 3.62 1.66 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 0.82 0.00 0.00 0.78 0.00 0.00 77 V 8.06 4.83 1.89 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 1.03 0.00 0.00 0.88 0.00 0.00 78 I 9.01 4.73 1.86 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 1.16 1.07 0.75 0.00 0.00 79 G 8.96 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 0.00 0.00 0.00 0.00 80 R 8.23 3.85 0.00 2.07 2.27 0.00 3.00 0.00 0.00 2.67 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 81 V 7.96 4.11 2.17 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 0.84 0.00 0.00 0.87 0.00 0.00 82 V 9.68 4.75 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 1.04 0.00 0.00 0.67 0.00 0.00 83 S 8.32 5.05 0.00 3.82 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 84 S 9.77 3.99 0.00 3.92 3.74 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 85 S 8.80 4.07 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 86 A 7.99 4.04 1.26 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 0.00 0.00 0.00 87 A 7.65 4.59 1.26 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 0.00 0.00 0.00 88 R 7.69 4.05 0.00 1.80 1.86 0.00 3.37 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 89 G 8.84 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 90 Q 7.62 4.22 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 91 G 7.85 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.94 4.26 0.00 1.77 1.84 0.96 1.07 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 93 G 8.25 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 94 H 8.12 4.68 0.00 3.26 3.52 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.79 4.13 0.00 2.38 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 96 L 8.59 4.02 0.00 2.06 1.74 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 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1.97 0.00 3.07 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 107 L 7.70 3.64 0.00 0.27 0.13 -0.02 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 W 7.99 5.20 0.00 3.38 2.95 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 0.00 0.00 0.00 109 L 7.81 4.29 0.00 1.68 1.64 0.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.79 4.46 0.00 2.88 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 0.00 111 T 7.72 4.66 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 1.19 0.00 0.00 112 P 0.00 4.51 0.00 2.11 2.16 0.00 3.67 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 2.17 1.96 0.00 113 V 8.54 4.81 2.01 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 1.08 0.00 0.00 0.98 0.00 0.00 114 Y 9.08 5.27 0.00 2.98 2.71 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 0.00 115 L 6.71 4.31 0.00 1.24 1.35 -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.27 4.55 0.00 4.04 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 0.00 117 A 8.01 4.25 0.94 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 0.00 0.00 118 Q 8.98 4.09 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 119 A 8.53 3.79 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 0.00 120 H 7.99 4.44 0.00 3.23 3.45 0.00 5.71 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 0.00 121 L 8.36 4.71 0.00 1.91 1.82 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.00 4.05 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 123 A 8.05 4.04 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 0.00 124 Y 8.26 4.17 0.00 2.81 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 0.00 125 Y 8.40 4.44 0.00 2.97 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 0.00 126 G 8.86 4.33 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 0.00 127 R 7.94 4.22 0.00 1.85 1.88 0.00 3.30 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.80 0.00 128 Y 8.59 4.60 0.00 3.53 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 0.00 129 G 7.96 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.35 4.67 0.00 3.18 2.98 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 0.00 131 V 8.51 4.83 2.13 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 0.80 0.00 0.00 0.96 0.00 0.00 132 A 8.83 4.54 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 0.00 133 V 9.19 4.44 2.17 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 0.90 0.00 0.00 1.19 0.00 0.00 134 T 7.60 4.70 4.36 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 0.00 0.00 0.00 1.29 0.00 0.00 135 E 8.55 4.57 0.00 2.04 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 2.32 2.42 0.00 136 V 8.30 4.51 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 0.81 0.00 0.00 0.90 0.00 0.00 137 Y 8.90 4.96 0.00 3.02 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 0.00 138 L 8.66 4.76 0.00 1.61 1.69 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.68 4.42 0.00 1.65 1.58 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 2.07 2.24 0.00 140 D 7.87 4.19 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 0.00 141 D 8.01 4.27 0.00 2.72 2.68 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 0.00 142 I 6.87 4.07 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.99 0.00 0.00 143 P 0.00 4.70 0.00 2.07 2.16 0.00 3.65 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 2.01 1.98 0.00 144 H 9.77 5.17 0.00 2.28 2.65 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.39 4.82 1.80 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 1.20 1.53 0.91 0.00 0.00 146 G 9.84 4.30 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 0.00 *148 R 8.26 4.80 0.00 2.10 2.37 0.00 2.95 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 149 R 8.43 4.38 0.00 0.67 0.66 0.00 2.66 0.00 0.00 2.84 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.