NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4645 8.1749 117.3744 63.5451 69.9275 173.1976 2 S 4.5281 9.7544 121.0197 55.1963 66.3433 171.5512 3 I 5.1285 8.1654 118.0321 59.5887 41.2963 173.9875 4 M 4.8933 8.7749 118.9350 54.3957 34.8692 173.1858 5 A 5.1993 8.4709 120.9247 50.2614 22.4033 175.5900 6 V 4.4960 9.0048 122.1616 61.1698 34.6022 174.7850 7 T 4.8686 8.7420 118.6438 61.4866 70.1518 173.7197 8 F 4.9600 8.8691 117.8460 55.4009 41.4678 175.5561 9 K 4.0250 8.7468 121.6368 59.7877 31.9665 176.5594 10 D 4.6319 7.8861 114.5947 53.7330 42.9715 176.8997 11 G 4.3839 5.6290 112.5145 45.0903 0.0000 175.7379 12 V 5.1122 7.8938 117.3463 60.7525 33.9785 172.1409 13 I 4.7285 8.9092 122.7590 59.5825 41.0292 174.2529 14 L 5.1895 8.5906 125.2184 52.9947 44.1869 175.9913 15 G 4.3624 9.1193 109.5216 44.9027 0.0000 170.9917 16 A 5.3668 8.4566 120.0593 51.8936 22.1968 175.8231 17 D 4.7746 8.5506 119.8687 52.1762 42.1646 176.3174 18 S 4.9078 8.3326 110.4414 57.0642 64.6727 172.7789 19 R 5.0704 8.4262 121.4795 55.5526 31.2311 175.4189 20 T 4.7833 8.7767 116.9822 60.0232 71.2885 173.1673 21 T 5.1038 8.6398 115.4681 59.9963 72.3827 174.1620 22 T 4.4569 8.6858 112.6699 60.6633 70.1972 174.2915 23 G 4.0752 8.4455 120.4702 46.6125 0.0000 173.1663 24 A 4.4166 8.5714 126.4216 52.1808 19.7538 176.5614 25 Y 4.3785 7.5670 117.2028 56.7237 39.5306 174.8169 26 I 4.2051 7.2566 127.8321 59.6517 36.2169 175.2755 27 A 4.0908 8.0787 129.2156 54.4791 18.7851 177.8792 28 N 4.8512 7.7149 111.3100 52.4333 41.9435 174.6010 29 R 4.5632 8.6056 120.5392 56.2733 30.2752 176.3385 30 V 4.5680 8.4005 111.9477 61.3627 33.1766 176.0793 31 T 3.9305 8.1846 117.2323 64.3174 69.7263 173.1544 32 D 4.9956 8.6225 124.4589 52.7925 41.5317 175.6916 33 K 4.3083 8.6674 124.4624 56.9245 33.5959 176.5102 34 L 4.8646 8.1727 121.2985 54.1342 41.8962 175.8839 35 T 4.5074 8.8433 121.6301 61.6134 71.0335 173.9768 36 R 3.2874 7.8453 126.6406 55.1005 29.9405 176.2079 37 V 4.0792 8.0434 119.4836 62.1302 33.1396 175.1021 38 H 4.5796 7.7108 117.2405 55.2011 32.3104 173.6202 39 D 4.5007 7.8981 122.7232 56.7485 40.9805 179.8962 40 K 5.0014 8.1057 117.3842 56.1962 33.8948 175.5591 41 I 5.0474 8.4701 121.2076 59.8629 40.8432 174.9206 42 W 5.5189 9.4835 127.1554 55.0679 33.3534 174.1164 43 C 5.2617 9.3492 114.3269 57.6761 33.1576 172.6020 44 C 5.3508 9.2482 117.6661 58.1497 30.5304 173.1942 45 R 5.0237 8.2606 122.4859 54.6263 31.5816 175.9662 46 S 4.5097 8.8889 116.6264 57.7340 66.6460 172.9476 47 G 3.9930 8.8654 105.3258 44.0373 0.0000 173.6925 48 S 4.0893 9.2690 117.8893 58.1378 62.8594 175.3276 49 A 4.0130 8.9559 130.2691 55.3318 18.1224 178.8528 50 A 3.9477 7.9913 118.6094 55.4249 18.4394 179.5180 51 D 4.2788 8.3487 117.7797 57.8233 40.9329 179.1567 52 T 4.0062 8.4592 110.6699 64.8151 68.5785 176.5776 53 Q 3.9680 8.3965 120.7159 58.7077 28.8230 178.4368 54 A 3.9841 7.9586 121.7259 55.2997 18.3348 179.3842 55 I 3.6104 8.2065 118.3923 64.6189 37.2674 178.1611 56 A 4.0350 8.5130 121.5317 55.6662 18.2830 179.3047 57 D 4.3542 8.4058 117.3938 57.6520 40.7853 179.3225 58 I 3.7295 7.8521 120.1532 64.2457 37.0764 178.5771 59 V 3.3752 7.7966 119.2792 66.0070 31.2282 177.5596 60 Q 4.1636 8.4133 120.8677 58.6845 28.7913 177.8941 61 Y 4.0648 7.9427 120.1411 61.2091 38.8868 177.8831 62 H 3.8184 8.3502 117.1871 58.8275 28.7097 177.8728 63 L 4.0176 8.3222 121.1482 57.3448 41.3944 179.1618 64 E 3.9002 8.2608 119.7438 59.1832 29.4948 178.6550 65 L 3.8056 7.6481 120.4469 57.8983 41.9658 178.2269 66 Y 3.7544 7.9931 119.5913 60.9401 38.5530 178.1738 67 T 4.6339 7.8897 116.6678 66.4177 68.6593 176.1627 68 S 4.1570 7.6133 115.6639 61.5611 62.8927 176.2013 69 Q 4.0463 7.0197 118.4137 56.8451 29.1373 176.2616 70 Y 4.5147 7.5971 115.7023 57.7239 39.2410 175.4622 *72 G 4.1892 7.5266 108.9204 45.4758 0.0000 172.1310 73 T 4.2404 8.4784 115.9217 63.1462 68.8307 172.4981 74 P 4.6131 0.0000 0.0000 61.6587 32.9074 176.1830 75 S 4.3795 8.1877 114.7279 58.2323 63.9393 175.3842 76 T 3.9288 8.3673 118.2409 66.6340 68.2230 176.5855 77 E 3.9377 8.0958 121.0976 59.5182 29.7292 178.8694 78 T 3.8374 7.7779 115.5925 66.3214 68.4922 176.6330 79 A 3.9126 7.8897 122.2869 55.2074 18.4537 179.6199 80 A 4.1824 8.2139 119.1588 55.2032 18.2774 179.8575 81 S 4.0734 7.9116 111.6720 61.3308 62.4223 176.5517 82 V 3.4901 7.7454 120.9539 65.9348 31.2917 177.8373 83 F 4.0022 8.0531 117.4773 60.5037 38.7558 177.4534 84 K 3.9490 8.1960 119.0263 59.6464 32.0100 178.1027 85 E 3.9742 8.4418 119.6590 59.4963 29.3395 178.9576 86 L 4.0293 7.9705 118.7415 58.0758 41.5386 179.3088 87 C 4.2329 8.4243 115.8990 62.8413 28.4456 175.3849 88 Y 4.2232 8.8493 121.5663 60.8500 38.3422 177.4216 89 E 3.9170 8.0552 118.4259 58.1863 28.5884 176.8372 90 N 5.0233 7.7854 116.4773 52.3097 39.8474 176.6756 91 K 4.2386 7.8496 120.8465 60.1231 32.8373 178.7611 92 D 4.3038 7.5390 119.3295 57.0339 40.8368 177.6018 *94 N 5.1316 7.8990 113.4982 52.4844 40.1427 173.6953 95 L 5.1319 7.4953 116.3502 53.4579 45.3090 176.8264 96 T 4.7464 8.5265 116.5485 61.3734 69.1389 171.5519 97 A 5.0556 8.2290 123.8734 49.7426 22.8556 175.8168 98 G 4.0221 9.3394 109.4509 44.6068 0.0000 171.6371 99 I 4.9844 8.3389 126.7305 59.0415 40.3186 175.2837 100 I 4.2959 8.4132 127.3026 59.7067 38.9939 174.6257 101 V 4.7060 8.2874 126.9798 61.0861 33.4227 174.8341 102 A 4.6743 9.2939 129.3443 50.5631 22.1834 175.1529 103 G 4.7421 8.7913 108.4738 43.5810 0.0000 170.7887 104 Y 4.6627 9.2247 121.7012 55.5302 40.8230 175.1377 105 D 4.3448 7.8946 124.9959 54.2055 41.4839 175.4330 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 T 8.17 4.46 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 1.21 0.00 0.00 2 S 9.75 4.53 0.00 3.70 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 3 I 8.17 5.13 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 1.40 0.53 0.92 0.00 0.00 4 M 8.77 4.89 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 5 A 8.47 5.20 1.21 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 0.00 0.00 0.00 6 V 9.00 4.50 2.12 0.00 0.00 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 0.94 0.00 0.00 7 T 8.74 4.87 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 1.23 0.00 0.00 8 F 8.87 4.96 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 9 K 8.75 4.03 0.00 1.84 2.09 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.55 7.81 10 D 7.89 4.63 0.00 2.69 2.58 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 0.00 0.00 0.00 11 G 5.63 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 0.00 0.00 0.00 0.00 12 V 7.89 5.11 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 0.73 0.00 0.00 1.01 0.00 0.00 13 I 8.91 4.73 1.86 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.85 0.00 0.00 14 L 8.59 5.19 0.00 1.42 1.56 0.93 0.94 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 15 G 9.12 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 0.00 0.00 0.00 0.00 16 A 8.46 5.37 1.20 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 17 D 8.55 4.77 0.00 2.68 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 18 S 8.33 4.91 0.00 3.93 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 19 R 8.43 5.07 0.00 1.82 2.05 0.00 3.17 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 20 T 8.78 4.78 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 1.21 0.00 0.00 21 T 8.64 5.10 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 1.20 0.00 0.00 22 T 8.69 4.46 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 1.27 0.00 0.00 23 G 8.45 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 24 A 8.57 4.42 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 25 Y 7.57 4.38 0.00 3.08 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 26 I 7.26 4.21 1.53 0.00 0.00 0.79 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 0.52 0.80 0.00 0.00 27 A 8.08 4.09 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 28 N 7.71 4.85 0.00 2.72 2.59 0.00 0.00 6.76 7.53 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 29 R 8.61 4.56 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 8.40 4.57 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 0.70 0.00 0.00 1.02 0.00 0.00 31 T 8.18 3.93 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 1.23 0.00 0.00 32 D 8.62 5.00 0.00 2.70 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 33 K 8.67 4.31 0.00 1.79 1.85 0.00 1.86 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.49 7.81 34 L 8.17 4.86 0.00 1.90 1.91 0.91 0.86 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 35 T 8.84 4.51 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 1.18 0.00 0.00 36 R 7.85 3.29 0.00 0.67 1.09 0.00 3.10 0.00 0.00 2.92 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 37 V 8.04 4.08 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 1.09 0.00 0.00 38 H 7.71 4.58 0.00 3.15 3.13 0.00 5.91 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 39 D 7.90 4.50 0.00 2.71 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 40 K 8.11 5.00 0.00 1.86 2.07 0.00 1.79 0.00 0.00 2.08 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 41 I 8.47 5.05 2.00 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 1.33 1.39 1.03 0.00 0.00 42 W 9.48 5.52 0.00 3.21 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 43 C 9.35 5.26 0.00 2.82 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 44 C 9.25 5.35 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 5.02 0.00 1.73 1.86 0.00 3.17 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.89 4.51 0.00 3.84 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 47 G 8.87 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 48 S 9.27 4.09 0.00 3.83 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 49 A 8.96 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 50 A 7.99 3.95 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 51 D 8.35 4.28 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.01 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 1.30 0.00 0.00 53 Q 8.40 3.97 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 54 A 7.96 3.98 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 55 I 8.21 3.61 2.19 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.02 1.10 0.00 0.00 56 A 8.51 4.04 1.50 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 57 D 8.41 4.35 0.00 2.86 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 58 I 7.85 3.73 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.92 1.01 0.00 0.00 59 V 7.80 3.38 1.72 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 0.53 0.00 0.00 -0.08 0.00 0.00 60 Q 8.41 4.16 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 61 Y 7.94 4.06 0.00 3.08 3.21 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 0.00 62 H 8.35 3.82 0.00 3.29 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.32 4.02 0.00 1.61 1.59 0.88 0.46 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 64 E 8.26 3.90 0.00 2.07 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 2.25 2.28 0.00 65 L 7.65 3.81 0.00 1.32 1.32 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.99 3.75 0.00 3.26 3.08 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 67 T 7.89 4.63 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 1.27 0.00 0.00 68 S 7.61 4.16 0.00 3.91 3.82 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 69 Q 7.02 4.05 0.00 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 70 Y 7.60 4.51 0.00 2.20 2.54 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 0.00 *72 G 7.53 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 73 T 8.48 4.24 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 1.30 0.00 0.00 74 P 0.00 4.61 0.00 1.72 1.19 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 75 S 8.19 4.38 0.00 3.99 4.02 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 0.00 0.00 0.00 76 T 8.37 3.93 4.23 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 1.28 0.00 0.00 77 E 8.10 3.94 0.00 2.01 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 2.36 2.39 0.00 78 T 7.78 3.84 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 0.80 0.00 0.00 79 A 7.89 3.91 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 80 A 8.21 4.18 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 81 S 7.91 4.07 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.49 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 0.77 0.00 0.00 0.86 0.00 0.00 83 F 8.05 4.00 0.00 3.33 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 84 K 8.20 3.95 0.00 1.95 2.11 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.45 7.81 85 E 8.44 3.97 0.00 2.31 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 2.45 0.00 86 L 7.97 4.03 0.00 1.94 1.72 0.85 1.01 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 87 C 8.42 4.23 0.00 3.07 3.08 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 88 Y 8.85 4.22 0.00 2.97 3.08 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 89 E 8.06 3.92 0.00 2.35 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 2.37 2.41 0.00 90 N 7.79 5.02 0.00 2.87 2.74 0.00 0.00 6.61 8.25 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 91 K 7.85 4.24 0.00 1.93 2.20 0.00 1.16 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.35 1.31 7.81 92 D 7.54 4.30 0.00 2.87 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 *94 N 7.90 5.13 0.00 2.73 2.88 0.00 0.00 7.06 7.85 0.00 0.00 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 L 7.50 5.13 0.00 1.68 1.55 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.53 4.75 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 1.22 0.00 0.00 97 A 8.23 5.06 1.22 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 0.00 0.00 98 G 9.34 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.34 4.98 1.63 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.30 0.00 0.00 100 I 8.41 4.30 1.84 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 1.08 0.87 0.90 0.00 0.00 101 V 8.29 4.71 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 0.90 0.00 0.00 0.53 0.00 0.00 102 A 9.29 4.67 1.25 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 0.00 0.00 0.00 103 G 8.79 4.74 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 0.00 104 Y 9.22 4.66 0.00 2.93 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 0.00 105 D 7.89 4.34 0.00 2.49 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.