NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 3.9190 8.3129 109.7364 45.6099 0.0000 176.9185 22 L 3.7765 8.0318 120.5834 55.3079 41.0051 181.9758 23 I 2.9488 8.2470 115.2542 63.3458 39.9727 176.0519 24 K 3.8740 8.4519 122.3301 59.8973 32.1180 178.6596 25 S 4.1389 8.3338 114.8911 62.4848 61.3901 176.8577 26 L 4.1819 7.9793 123.2310 58.0929 40.6598 179.6148 27 A 4.8382 8.1482 119.6421 53.2806 19.7810 177.7625 28 E 4.4513 8.3377 116.8771 59.5349 31.5349 183.0846 29 K 4.1123 7.8120 120.6737 59.5497 31.9019 177.8646 30 E 4.0637 7.5568 114.2734 57.6231 29.6670 177.6770 31 K 4.3143 8.4365 121.9296 59.7917 32.9894 178.3778 32 Q 4.0206 8.0676 120.4123 60.4726 27.7737 180.8530 33 L 4.1775 7.5972 120.5188 57.7394 41.6739 179.6724 34 L 3.9633 7.9523 118.2848 57.5810 41.6585 178.6978 35 E 4.2486 8.4892 117.3577 57.5573 29.7808 178.4285 36 R 4.0173 8.1364 119.4762 58.8290 30.1128 178.3135 37 L 4.0291 8.3481 121.6980 58.3348 41.5564 179.4081 38 E 3.9422 8.3056 118.1433 61.5846 29.2497 180.9263 39 A 4.2141 8.0239 121.1660 54.7883 18.2666 179.7447 40 A 3.9367 8.0397 119.2324 55.3882 18.5068 179.8008 41 K 3.8375 8.1643 117.0974 59.8391 32.0739 179.5266 42 K 3.9657 7.8886 118.3159 59.4115 31.8589 178.8637 43 E 3.9647 7.8350 118.5610 59.4446 29.7586 178.7330 44 A 4.1126 8.2702 121.1601 55.1680 18.5797 179.4558 45 E 4.0072 8.6102 115.9734 59.2416 29.3990 179.2651 46 E 3.9437 8.5879 120.5322 59.3991 29.6694 178.9570 47 R 3.3765 7.8523 118.2030 59.3708 29.9571 178.7169 48 V 3.7121 7.8423 120.1394 66.3310 31.2058 178.6659 49 K 4.4411 8.1075 123.2199 59.2179 31.5061 181.2305 50 R 4.0693 8.8999 118.9939 59.9942 30.0676 178.4930 51 A 4.0711 7.9312 120.2145 54.9281 18.1754 179.3917 52 E 3.9088 8.8716 117.5991 59.3874 29.3962 179.4187 53 A 4.0337 7.8565 122.3112 55.9600 18.4555 180.2478 54 E 3.9168 8.1664 116.3880 61.1310 29.1741 180.9708 55 A 4.1719 8.3322 120.9854 54.9170 18.2770 179.7110 56 K 3.7087 7.8558 118.1536 59.5499 32.4219 178.5799 57 A 3.9581 8.1168 121.2405 55.5462 17.9754 179.4425 58 L 3.9740 8.3146 118.1613 57.4495 41.9769 178.8979 59 L 4.1158 7.2432 119.4006 57.1620 42.1180 178.5668 60 E 3.9690 8.7722 119.1807 59.4969 29.6897 179.1175 61 E 4.1848 8.3821 115.9212 58.1576 29.7105 178.4983 62 A 4.0851 7.4545 122.4760 54.8728 18.7565 179.0468 63 E 3.8811 8.4811 118.1139 59.1440 29.5234 179.0662 64 A 3.9373 7.7958 120.4296 55.0880 18.5833 179.3968 65 K 3.7753 7.8559 116.3515 59.9423 32.2068 179.3801 66 A 4.0795 7.9686 123.1051 55.4393 17.8430 180.3456 67 K 4.3699 8.1448 123.0292 59.5458 31.8859 181.4948 68 A 4.2164 8.3297 122.6008 54.5775 18.1252 179.5995 69 L 3.9046 7.8316 118.9515 58.4504 42.1941 178.6928 70 E 3.8825 8.2022 118.4245 59.8313 29.3566 178.9678 71 A 3.9370 7.6546 119.5402 56.0350 18.2866 179.6983 72 Q 3.8068 7.9941 117.0473 59.8835 27.2802 179.5576 *73 Y 4.0211 8.0828 121.8200 61.7876 36.7882 180.6515 74 R 4.5731 8.5772 119.2011 58.6293 30.3856 178.3981 75 E 3.9254 8.8781 120.3627 59.0678 29.7710 178.4179 76 R 3.8412 8.3374 119.0074 59.5676 30.0010 177.9779 77 E 3.8964 7.6518 118.1060 59.4758 29.6266 178.3897 78 R 3.8372 8.1039 118.3382 59.7884 30.0658 178.0562 79 A 4.0540 8.3618 120.2891 55.3304 18.3198 179.5309 80 E 3.9405 8.3734 116.9493 59.7579 29.5064 179.3904 81 T 3.4751 8.2839 113.5416 65.0081 67.4903 175.8847 82 E 3.9343 8.8213 121.6987 58.9635 29.6262 178.6940 83 A 4.0915 7.9883 121.0260 55.0661 18.5347 179.3523 84 L 4.0690 8.8039 118.7069 58.1149 41.5847 179.9419 85 L 4.0016 7.7977 118.4696 57.6673 41.6001 178.9447 86 A 4.1440 7.5369 119.7757 55.7178 18.3011 180.0207 87 R 3.8902 8.0768 116.0349 59.5356 30.0684 179.0914 88 Y 3.9635 8.2834 116.5783 60.9743 37.9516 178.2569 89 R 3.9988 8.9941 122.9989 60.0787 30.1766 178.7149 90 E 4.3090 8.2878 116.8822 59.8067 29.6983 180.1416 91 R 4.2009 7.5560 115.6272 59.0368 30.4832 178.1533 92 A 3.9951 8.1062 121.0749 55.2375 17.9676 179.4057 93 E 3.9365 8.8078 117.2386 59.3187 29.4506 179.6019 94 A 3.8730 7.4779 120.3329 55.1435 18.3931 179.3617 95 E 3.9290 8.6110 118.0630 59.0031 29.4862 178.8061 96 A 4.0393 7.9156 120.7305 54.9440 18.4697 179.4952 97 K 3.8809 7.6085 117.6301 59.6237 32.5374 178.7078 98 A 4.3229 7.9192 119.6201 54.2386 18.0052 179.3703 99 V 3.9308 7.2172 108.8178 63.2071 32.3665 178.4064 100 R 4.0643 7.5519 118.0919 59.4848 29.7686 178.7443 101 E 4.0556 8.0436 119.2528 60.0080 29.5056 179.9109 102 K 4.1447 7.4955 121.4191 59.5295 32.0739 182.0570 103 A 4.3908 7.8582 121.9747 51.8603 18.1850 179.6200 *105 A 3.9866 8.1141 126.5796 53.9988 20.5342 179.4418 106 R 4.5363 7.6478 120.6183 55.4239 28.8956 176.8688 107 L 4.7506 8.3835 124.7794 54.7419 49.7671 177.1367 108 D 4.5232 8.5259 118.4326 57.8454 40.6606 179.0332 109 E 3.9517 8.1583 117.8342 59.1722 29.4931 178.7660 110 A 3.9646 8.0714 120.4306 55.3887 18.2646 179.7343 111 V 3.4677 7.4690 114.7356 66.1312 31.1464 177.7081 112 A 3.9314 8.0948 123.0016 56.0513 17.9342 180.3837 113 L 3.9623 8.5328 120.6227 59.7204 40.7472 181.4990 114 V 3.8046 7.9224 119.7531 65.8023 31.1833 178.1307 115 L 4.1363 8.9299 122.2522 58.3267 41.2169 180.2990 116 K 4.0379 7.5683 121.8206 59.4757 31.6649 180.8384 117 E 4.2720 7.7431 119.1005 59.5759 29.7258 179.1809 118 V 3.8062 7.3143 110.0798 63.7032 31.6074 178.1930 119 L 4.1406 7.3841 119.4920 58.2353 40.2948 175.3551 120 P 4.4082 0.0000 0.0000 62.3978 31.5801 175.7168 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 21 G 8.31 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 22 L 8.03 3.78 0.00 1.67 1.70 0.92 0.59 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 23 I 8.25 2.95 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 1.30 0.44 0.91 0.00 0.00 24 K 8.45 3.87 0.00 1.97 1.90 0.00 1.81 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.37 7.81 25 S 8.33 4.14 0.00 3.88 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 26 L 7.98 4.18 0.00 1.69 1.66 0.92 0.76 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 27 A 8.15 4.84 1.32 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 0.00 0.00 0.00 28 E 8.34 4.45 0.00 1.93 1.92 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 2.13 2.14 0.00 29 K 7.81 4.11 0.00 1.93 1.97 0.00 1.49 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 30 E 7.56 4.06 0.00 2.24 1.96 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 2.32 2.36 0.00 31 K 8.44 4.31 0.00 1.89 1.87 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.30 7.81 32 Q 8.07 4.02 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.05 0.00 33 L 7.60 4.18 0.00 1.65 1.74 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.95 3.96 0.00 1.93 1.72 0.97 0.94 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 35 E 8.49 4.25 0.00 1.99 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 2.29 2.49 0.00 36 R 8.14 4.02 0.00 1.88 2.09 0.00 3.09 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 37 L 8.35 4.03 0.00 1.88 1.70 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.31 3.94 0.00 1.97 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 2.25 2.23 0.00 39 A 8.02 4.21 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 40 A 8.04 3.94 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 41 K 8.16 3.84 0.00 1.95 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 42 K 7.89 3.97 0.00 1.86 1.83 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.31 7.81 43 E 7.84 3.96 0.00 1.96 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 2.33 2.49 0.00 44 A 8.27 4.11 1.40 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 0.00 0.00 45 E 8.61 4.01 0.00 2.18 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 0.00 2.52 2.35 0.00 46 E 8.59 3.94 0.00 2.12 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 2.33 2.46 0.00 47 R 7.85 3.38 0.00 1.93 2.00 0.00 3.08 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 48 V 7.84 3.71 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 1.02 0.00 0.00 0.93 0.00 0.00 49 K 8.11 4.44 0.00 1.82 1.81 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 50 R 8.90 4.07 0.00 1.96 2.10 0.00 3.06 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 A 7.93 4.07 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 52 E 8.87 3.91 0.00 2.17 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 0.00 2.33 2.44 0.00 53 A 7.86 4.03 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 54 E 8.17 3.92 0.00 2.02 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 2.24 2.20 0.00 55 A 8.33 4.17 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 3.71 0.00 1.78 1.97 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 57 A 8.12 3.96 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 58 L 8.31 3.97 0.00 1.86 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.24 4.12 0.00 2.14 1.68 0.92 0.91 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 60 E 8.77 3.97 0.00 1.93 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 2.48 2.47 0.00 61 E 8.38 4.18 0.00 2.24 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 0.00 2.35 2.40 0.00 62 A 7.45 4.09 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 63 E 8.48 3.88 0.00 2.19 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 2.31 2.47 0.00 64 A 7.80 3.94 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 65 K 7.86 3.78 0.00 1.84 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 66 A 7.97 4.08 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 67 K 8.14 4.37 0.00 1.81 1.84 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.20 7.81 68 A 8.33 4.22 1.36 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 0.00 0.00 0.00 69 L 7.83 3.90 0.00 1.91 1.78 0.92 0.95 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 70 E 8.20 3.88 0.00 2.22 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 2.34 2.57 0.00 71 A 7.65 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.99 3.81 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 *73 Y 8.08 4.02 0.00 2.32 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 74 R 8.58 4.57 0.00 1.90 1.99 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 75 E 8.88 3.93 0.00 2.07 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 2.30 2.45 0.00 76 R 8.34 3.84 0.00 1.89 2.11 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 77 E 7.65 3.90 0.00 2.20 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 2.30 2.32 0.00 78 R 8.10 3.84 0.00 2.05 2.08 0.00 3.16 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 79 A 8.36 4.05 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 80 E 8.37 3.94 0.00 2.04 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 0.00 2.33 2.50 0.00 81 T 8.28 3.48 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 1.26 0.00 0.00 82 E 8.82 3.93 0.00 2.16 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 0.00 2.31 2.33 0.00 83 A 7.99 4.09 1.44 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 0.00 0.00 0.00 84 L 8.80 4.07 0.00 1.84 1.77 1.11 0.65 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 85 L 7.80 4.00 0.00 1.68 1.73 0.92 0.76 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 86 A 7.54 4.14 1.46 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 0.00 0.00 0.00 87 R 8.08 3.89 0.00 1.95 1.95 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 88 Y 8.28 3.96 0.00 3.13 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 89 R 8.99 4.00 0.00 2.01 1.95 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 90 E 8.29 4.31 0.00 2.04 1.93 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 2.24 2.18 0.00 91 R 7.56 4.20 0.00 1.83 2.13 0.00 2.71 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 92 A 8.11 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.81 3.94 0.00 1.97 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 2.34 2.52 0.00 94 A 7.48 3.87 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 95 E 8.61 3.93 0.00 2.07 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 2.30 2.31 0.00 96 A 7.92 4.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.61 3.88 0.00 1.66 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 98 A 7.92 4.32 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 99 V 7.22 3.93 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 0.97 0.00 0.00 100 R 7.55 4.06 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 101 E 8.04 4.06 0.00 1.96 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 2.35 2.45 0.00 102 K 7.50 4.14 0.00 1.94 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.34 7.81 103 A 7.86 4.39 1.38 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 0.00 0.00 *105 A 8.11 3.99 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 0.00 106 R 7.65 4.54 0.00 1.82 1.78 0.00 3.29 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 107 L 8.38 4.75 0.00 1.91 1.60 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.53 4.52 0.00 2.80 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 0.00 109 E 8.16 3.95 0.00 2.05 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 2.40 2.43 0.00 110 A 8.07 3.96 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 0.00 111 V 7.47 3.47 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 1.00 0.00 0.00 0.98 0.00 0.00 112 A 8.09 3.93 1.38 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 0.00 0.00 113 L 8.53 3.96 0.00 1.61 1.68 0.92 0.79 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 0.00 114 V 7.92 3.80 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 0.97 0.00 0.00 1.00 0.00 0.00 115 L 8.93 4.14 0.00 1.70 1.70 0.92 0.80 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 0.00 116 K 7.57 4.04 0.00 1.90 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 117 E 7.74 4.27 0.00 1.90 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 2.35 0.00 118 V 7.31 3.81 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 0.87 0.00 0.00 1.04 0.00 0.00 119 L 7.38 4.14 0.00 1.76 2.02 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.41 0.00 2.18 2.07 0.00 3.61 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.