NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.5821 8.2548 109.1222 45.7538 0.0000 175.2687 17 I 3.7286 7.2844 119.8714 63.4596 37.3936 175.3978 18 T 3.9980 7.6493 115.9767 64.2564 70.0441 172.8747 19 G 3.5372 7.6394 110.2970 44.3453 0.0000 171.6964 20 T 4.6300 7.7647 116.3177 61.4273 70.5574 174.2970 21 W 4.6979 8.2770 125.4380 54.8065 33.1248 173.8851 22 Y 5.3834 9.1581 121.1218 56.2331 40.5339 175.0111 23 E 4.6092 9.1164 122.0249 54.1306 31.4506 177.1000 24 Q 3.9784 8.1859 121.1232 59.0853 29.0970 177.6763 25 L 4.4324 7.7110 114.8671 54.2970 42.0526 176.3593 26 G 4.1147 8.2035 108.2254 45.6368 0.0000 174.5276 27 S 4.7105 8.1684 113.9186 58.3726 64.3411 172.8569 28 T 5.2358 9.0437 118.5189 61.8586 73.1085 173.3002 29 F 5.2429 8.7223 119.3958 55.2392 41.7692 173.2937 30 I 4.6826 8.4513 123.0531 59.7979 39.0590 175.1093 31 V 4.8635 8.7722 120.2070 59.7320 36.0355 174.7303 32 T 4.7346 8.7320 119.9104 61.7599 70.9628 173.2639 33 A 4.5474 8.5512 129.7813 50.4447 19.3466 177.4290 34 G 3.8511 9.4103 112.6345 45.3105 0.0000 172.9916 35 A 4.1402 8.4938 121.5761 54.1364 19.4664 178.0441 36 D 4.6043 7.9223 116.8823 53.2327 40.3687 177.1534 37 G 3.2608 7.7078 106.5493 45.4598 0.0000 171.8192 38 A 4.7669 7.5093 120.8248 51.5977 20.0738 176.8044 39 L 5.2766 8.9438 121.1215 53.1366 44.7354 175.9257 40 T 4.9538 8.9445 112.9902 59.6660 72.8170 174.4854 41 G 4.3041 7.3859 108.3761 45.9727 0.0000 171.2004 42 T 5.1520 7.5925 107.8716 60.0544 72.6400 172.0639 43 Y 5.1996 9.6311 125.6376 56.2791 41.6391 174.5224 44 E 5.9432 9.4768 124.2954 54.2273 33.4408 173.7987 *49 N 4.6170 8.6724 114.5017 52.7530 38.7966 174.6436 50 A 3.9216 8.6241 123.3304 55.7312 18.3596 179.9400 51 E 3.9529 7.9366 113.1377 58.5798 29.8006 177.7430 52 S 4.8567 8.2358 113.1922 57.9916 64.3190 173.5618 53 R 5.1592 7.6428 118.8728 55.6559 31.7175 175.4492 54 Y 4.9206 8.9901 119.1396 56.2709 42.9193 174.6445 55 V 4.3435 8.5981 122.9119 62.8220 32.4697 175.0490 56 L 5.0784 9.0924 127.6356 54.4140 43.6983 175.1621 57 T 4.8919 8.4276 114.0680 61.3386 71.4271 173.1936 58 G 4.5391 8.8674 113.1761 46.3361 0.0000 171.9305 59 R 6.0300 9.0603 117.2666 54.2126 34.8588 174.1264 60 Y 5.2495 8.1479 117.7239 55.5190 41.1584 174.4262 61 D 4.3073 9.3597 121.3918 54.0577 40.5193 176.8814 62 S 4.3826 8.1169 120.6282 59.1933 63.7769 174.7592 63 A 4.6648 8.2028 123.9371 50.0881 18.6997 173.9025 64 P 4.6750 0.0000 0.0000 60.6298 32.7407 176.9347 65 A 4.2684 8.3675 122.6649 52.8584 19.1714 177.3746 66 T 4.6377 8.2093 105.8163 61.5203 69.3047 175.0600 67 D 4.4708 8.1530 118.6103 54.5291 39.0978 177.0747 68 G 3.9703 7.9992 108.1525 45.4988 0.0000 174.4827 69 S 4.2787 8.9623 116.6838 58.1700 63.3327 174.1638 70 G 3.9583 8.3647 110.2572 46.4822 0.0000 172.8483 71 T 4.7792 8.7128 116.5598 61.5412 70.1315 174.7918 72 A 4.7253 8.6679 129.6724 52.1517 19.9786 175.9984 73 L 5.0240 8.8631 121.2984 55.4204 44.8407 174.1676 74 G 4.6736 9.7274 105.3778 45.7352 0.0000 172.0385 75 W 5.6483 8.5753 116.6454 55.8697 32.2412 173.3420 76 T 5.1839 9.0725 116.2860 61.8098 72.2033 173.5525 77 V 4.4050 9.0756 124.2672 60.9400 34.4776 174.1707 78 A 4.3234 8.3311 129.8676 50.3752 19.6342 178.0418 79 W 4.1814 8.8335 125.0905 55.1663 27.9849 176.0502 80 K 5.2677 7.6633 118.5043 54.6982 35.6594 174.6440 81 N 5.0118 9.0810 121.7190 51.7640 40.0827 174.3564 82 N 4.2863 8.5850 114.1258 55.7253 38.4828 175.2713 83 Y 4.6596 8.1959 114.4670 57.8377 39.9495 175.4732 84 R 4.6046 7.7785 113.6728 55.4772 32.4167 174.1412 85 N 4.9926 8.3890 117.5475 53.1111 39.9153 173.7211 86 A 4.2947 9.1589 129.0054 51.9429 19.3436 176.4548 87 H 4.1650 8.9496 113.9498 56.2843 27.0382 173.5758 88 S 5.2298 7.6148 110.8504 57.5941 67.2686 173.0716 89 A 5.0101 9.1865 120.5830 50.8796 22.8142 175.3706 90 T 4.9909 9.0761 117.8145 61.7172 72.2141 173.2863 91 T 4.9566 8.4483 114.9033 59.6134 72.0200 172.6824 92 W 4.9817 8.7799 124.5195 54.7600 32.2150 174.4581 93 S 4.8166 9.0920 119.3584 56.7772 64.9572 173.2175 94 G 4.2231 8.1250 112.3002 46.7844 0.0000 171.7187 95 Q 5.2261 8.6842 117.7819 54.8097 32.8730 173.4029 96 Y 4.8977 8.9668 122.5564 56.5621 40.8593 174.3635 97 V 4.1597 8.6967 126.9080 61.0266 33.7958 175.4695 98 G 3.6556 7.6516 118.5798 44.3559 0.0000 170.2748 99 G 3.7797 8.7912 103.9509 43.7412 0.0000 171.9170 100 A 3.7491 8.1731 119.5506 56.0079 18.6423 178.8628 101 E 4.2794 8.1415 118.5350 53.6391 28.6933 176.1972 102 A 4.4196 7.7215 124.0575 52.4804 19.8190 177.2103 103 R 5.3480 9.1916 116.9967 55.3116 33.8095 173.9902 104 I 4.8625 8.8769 121.5316 59.8841 39.5769 174.4221 105 N 5.3491 9.2468 126.4237 52.3009 40.2118 174.7179 106 T 5.3397 9.2064 113.3706 60.1158 73.1003 172.6941 107 Q 5.1919 9.4002 121.3759 53.9332 32.1189 174.8006 108 W 5.3932 8.6352 118.7521 54.6523 32.3338 173.7714 109 L 5.2035 8.5570 120.3934 52.9168 44.5855 175.1424 110 L 4.9897 9.0623 126.0166 53.6593 44.3205 174.9041 111 T 5.0816 8.9757 123.5052 61.9210 71.2779 173.3479 112 S 5.1087 8.5827 122.3328 56.3149 65.1071 174.4883 113 G 3.8538 8.7533 112.4462 46.7625 0.0000 172.9214 114 T 4.8119 8.3287 114.0039 59.4825 72.5492 173.2806 115 T 4.1208 8.0620 111.5852 60.8890 69.8832 175.1325 116 E 3.9156 8.9671 121.4254 59.7902 29.6270 179.8638 117 A 4.1944 7.5945 120.2967 54.5761 18.7983 177.8068 118 N 4.8205 8.1616 111.1843 53.0115 39.0974 176.8126 119 A 4.0805 7.9999 123.0922 54.1760 18.5971 180.5270 120 W 4.3844 8.4309 112.3718 58.6539 28.0228 176.6905 121 K 4.0774 6.6512 117.8684 56.1061 32.1868 177.1350 122 S 4.2488 7.8421 115.4868 60.4883 63.6718 173.2887 123 T 5.0920 7.5167 117.1538 61.8557 71.2020 173.5183 124 L 4.6802 8.9856 127.3576 53.6735 43.8002 176.2360 125 V 4.3918 7.6716 120.0469 60.3963 34.7012 175.2679 126 G 3.1772 6.6731 107.2833 45.9817 0.0000 171.5202 127 H 5.4747 8.2382 113.8029 54.2968 31.9554 172.2595 128 D 4.9542 9.2097 117.6852 53.3688 45.4623 173.8396 129 T 5.2932 8.4817 119.7222 61.9130 71.8859 172.7419 130 F 5.4749 9.8348 125.5767 56.1230 41.9003 174.8972 131 T 5.5762 9.3115 111.9089 60.1765 72.3373 174.5769 132 K 3.8123 8.7645 119.4279 57.1077 32.7102 177.7390 133 V 4.0003 7.4941 117.0146 61.4971 32.5686 175.0707 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 16 G 8.25 4.58 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 0.00 0.00 0.00 17 I 7.28 3.73 1.40 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.28 0.60 0.00 0.00 18 T 7.65 4.00 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 1.14 0.00 0.00 19 G 7.64 3.54 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 0.00 0.00 0.00 20 T 7.76 4.63 3.93 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 0.60 0.00 0.00 21 W 8.28 4.70 0.00 1.81 2.70 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 0.00 0.00 0.00 22 Y 9.16 5.38 0.00 3.01 2.86 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 23 E 9.12 4.61 0.00 1.52 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 2.34 2.26 0.00 24 Q 8.19 3.98 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 25 L 7.71 4.43 0.00 1.93 1.73 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.20 4.11 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 27 S 8.17 4.71 0.00 4.08 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 0.00 28 T 9.04 5.24 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 1.03 0.00 0.00 29 F 8.72 5.24 0.00 2.90 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 4.68 1.83 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 1.10 0.71 0.84 0.00 0.00 31 V 8.77 4.86 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 0.54 0.00 0.00 0.96 0.00 0.00 32 T 8.73 4.73 4.20 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 1.18 0.00 0.00 33 A 8.55 4.55 0.63 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 0.00 0.00 34 G 9.41 3.85 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 0.00 0.00 0.00 35 A 8.49 4.14 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 36 D 7.92 4.60 0.00 2.73 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 37 G 7.71 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 0.00 0.00 0.00 38 A 7.51 4.77 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 39 L 8.94 5.28 0.00 1.82 1.52 0.70 0.89 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 40 T 8.94 4.95 4.22 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 1.21 0.00 0.00 41 G 7.39 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 42 T 7.59 5.15 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 1.22 0.00 0.00 43 Y 9.63 5.20 0.00 2.87 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 44 E 9.48 5.94 0.00 2.05 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 2.20 2.14 0.00 *49 N 8.67 4.62 0.00 3.00 3.00 0.00 0.00 5.83 7.15 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 50 A 8.62 3.92 1.15 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 0.00 0.00 0.00 0.00 0.00 51 E 7.94 3.95 0.00 1.85 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 2.14 1.78 0.00 52 S 8.24 4.86 0.00 4.03 4.09 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 53 R 7.64 5.16 0.00 1.82 1.90 0.00 3.15 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 54 Y 8.99 4.92 0.00 2.84 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 55 V 8.60 4.34 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 9.09 5.08 0.00 1.61 1.60 0.43 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.43 4.89 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 1.22 0.00 0.00 58 G 8.87 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 0.00 0.00 0.00 0.00 59 R 9.06 6.03 0.00 1.74 1.77 0.00 3.31 0.00 0.00 3.33 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 60 Y 8.15 5.25 0.00 3.10 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 61 D 9.36 4.31 0.00 2.76 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 62 S 8.12 4.38 0.00 3.92 3.44 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 63 A 8.20 4.66 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 64 P 0.00 4.68 0.00 2.27 2.16 0.00 3.46 0.00 0.00 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.37 4.27 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 66 T 8.21 4.64 4.27 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 1.25 0.00 0.00 67 D 8.15 4.47 0.00 2.82 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 68 G 8.00 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 69 S 8.96 4.28 0.00 3.94 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 70 G 8.36 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 71 T 8.71 4.78 4.58 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 1.46 0.00 0.00 72 A 8.67 4.73 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 73 L 8.86 5.02 0.00 2.06 1.98 1.18 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.73 4.67 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 0.00 75 W 8.58 5.65 0.00 3.38 3.16 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 76 T 9.07 5.18 4.26 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 1.16 0.00 0.00 77 V 9.08 4.41 1.62 0.00 0.00 0.00 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 0.78 0.00 0.00 78 A 8.33 4.32 1.14 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 0.00 0.00 79 W 8.83 4.18 0.00 3.30 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 80 K 7.66 5.27 0.00 1.90 1.69 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.54 7.81 81 N 9.08 5.01 0.00 2.85 2.81 0.00 0.00 6.78 7.68 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 82 N 8.59 4.29 0.00 1.63 2.19 0.00 0.00 6.63 7.46 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 83 Y 8.20 4.66 0.00 3.03 2.99 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 84 R 7.78 4.60 0.00 2.17 2.09 0.00 3.27 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 85 N 8.39 4.99 0.00 2.66 2.65 0.00 0.00 6.97 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 86 A 9.16 4.29 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 87 H 8.95 4.16 0.00 3.30 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.61 5.23 0.00 3.98 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 89 A 9.19 5.01 1.14 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 0.00 0.00 90 T 9.08 4.99 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 -0.52 0.00 0.00 91 T 8.45 4.96 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 1.14 0.00 0.00 92 W 8.78 4.98 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 9.09 4.82 0.00 3.78 3.65 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 0.00 0.00 0.00 94 G 8.12 4.22 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 0.00 95 Q 8.68 5.23 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 8.97 4.90 0.00 3.03 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 97 V 8.70 4.16 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 0.84 0.00 0.00 0.90 0.00 0.00 98 G 7.65 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 99 G 8.79 3.78 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 0.00 0.00 0.00 100 A 8.17 3.75 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 0.00 101 E 8.14 4.28 0.00 1.96 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 2.34 2.44 0.00 102 A 7.72 4.42 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.19 5.35 0.00 1.95 2.26 0.00 2.96 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 104 I 8.88 4.86 1.82 0.00 0.00 -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 0.96 -0.33 1.14 0.00 0.00 105 N 9.25 5.35 0.00 2.72 2.83 0.00 0.00 6.09 7.91 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 0.00 106 T 9.21 5.34 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 107 Q 9.40 5.19 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 108 W 8.64 5.39 0.00 2.72 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 0.00 0.00 0.00 0.00 109 L 8.56 5.20 0.00 1.54 1.54 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.06 4.99 0.00 1.72 1.68 0.97 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.98 5.08 4.22 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 1.19 0.00 0.00 112 S 8.58 5.11 0.00 3.69 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 0.00 113 G 8.75 3.85 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 0.00 0.00 0.00 114 T 8.33 4.81 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 1.21 0.00 0.00 115 T 8.06 4.12 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 1.21 0.00 0.00 116 E 8.97 3.92 0.00 2.11 2.10 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 2.42 2.42 0.00 117 A 7.59 4.19 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 0.00 118 N 8.16 4.82 0.00 2.73 2.66 0.00 0.00 6.81 7.01 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 0.00 119 A 8.00 4.08 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 0.00 120 W 8.43 4.38 0.00 3.57 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 0.00 121 K 6.65 4.08 0.00 1.06 0.74 0.00 1.00 0.00 0.00 0.78 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.74 7.81 122 S 7.84 4.25 0.00 4.14 4.13 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 0.00 123 T 7.52 5.09 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 0.00 124 L 8.99 4.68 0.00 1.79 1.67 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.67 4.39 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 0.54 0.00 0.00 0.66 0.00 0.00 126 G 6.67 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 0.00 0.00 0.00 127 H 8.24 5.47 0.00 3.23 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.21 4.95 0.00 3.16 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.48 5.29 4.31 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 1.38 0.00 0.00 130 F 9.83 5.47 0.00 2.88 3.16 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 0.00 131 T 9.31 5.58 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 1.39 0.00 0.00 132 K 8.76 3.81 0.00 1.54 1.56 0.00 1.09 0.00 0.00 0.97 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.72 7.81 133 V 7.49 4.00 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 0.64 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.