NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0576 8.0544 120.6386 62.8354 32.9468 174.1607 4 V 4.4012 8.3952 128.4692 61.1606 33.6686 172.5531 5 T 4.7910 9.3486 127.3049 62.6154 70.2752 174.1399 6 Q 5.1531 8.5354 124.1677 53.5173 32.4376 175.2236 7 E 4.1109 8.6162 119.6892 56.7922 30.4352 178.0317 8 S 4.2867 8.8862 118.1032 61.0830 63.2920 173.4645 9 A 5.1926 7.6971 118.2779 50.5886 22.1534 175.0707 10 L 4.8654 9.1083 119.7409 53.3149 46.5512 175.5845 11 T 5.0253 8.5292 118.0169 62.2525 71.5145 173.0621 12 T 4.7548 8.8093 119.5933 60.7071 71.8935 171.9892 13 S 5.5010 8.1654 116.0831 54.4785 67.4668 172.1611 14 P 4.4963 0.0000 0.0000 64.6686 31.2617 175.8397 15 G 4.0987 9.4768 112.8527 45.5986 0.0000 173.4501 16 E 4.4981 7.8087 118.5901 56.7709 31.0827 175.9599 17 T 5.1096 8.2636 116.7920 61.8916 71.0421 174.6204 18 V 4.5053 8.6041 124.8694 60.1420 35.0803 174.4904 19 T 4.9120 8.4421 118.9922 61.7854 71.5062 173.1099 20 L 4.8922 9.0754 126.9299 53.1459 44.4695 175.6920 21 T 5.3085 9.3357 112.5722 60.1767 72.1812 172.8719 22 C 4.9074 9.5341 122.1947 55.1220 41.9871 172.3908 23 R 4.9430 9.0790 127.6230 54.5894 32.0465 174.7960 *28 A 4.5591 8.3858 126.2976 51.6430 19.6979 176.6325 29 V 3.8770 8.5205 123.3962 62.9722 32.4310 175.1761 30 T 4.7469 9.2747 116.0620 59.5721 72.1625 174.7992 31 T 3.8224 8.3415 111.2965 64.5706 68.5798 176.3777 32 S 3.7365 7.3507 115.7022 60.2396 63.1808 174.8662 33 N 4.6525 8.3652 118.1619 53.1981 38.9288 174.4964 34 Y 3.6503 7.2826 115.4242 57.7977 36.3376 171.4846 35 A 4.1185 7.7646 119.3310 53.1736 19.6455 177.7274 36 N 5.5343 9.0101 119.5083 51.2973 42.2769 173.9097 37 W 5.3755 9.6781 121.2275 55.0448 33.0274 174.5723 38 V 4.9597 10.0346 125.5053 61.1296 34.5749 173.6986 39 Q 4.5799 9.5806 129.2684 54.1752 31.3803 173.4836 40 E 4.4385 9.0656 128.2609 54.3603 31.7729 175.2348 41 K 4.6928 8.5844 127.0218 53.9869 34.9485 174.5902 42 P 4.4291 0.0000 0.0000 64.3672 31.5989 176.5886 43 D 4.7842 8.6557 122.2377 54.7014 38.0329 174.4545 44 H 4.3158 7.9675 112.2990 56.9727 26.4295 175.8094 45 L 4.4584 7.5797 120.1975 54.0789 41.4062 176.2180 46 F 4.8760 8.6830 122.1127 57.0191 40.7064 175.6720 47 T 4.6513 8.8505 118.3732 62.1809 73.1589 173.4822 48 G 4.0208 8.9339 114.3402 46.7012 0.0000 171.9772 49 L 4.7612 9.2925 123.0924 55.7547 44.2784 176.5017 50 I 5.3059 7.8062 117.8839 59.9171 41.9747 174.0838 51 G 4.3473 9.5976 111.7292 44.9382 0.0000 172.3138 52 G 4.3109 9.5364 105.8911 47.0549 0.0000 175.0453 53 T 4.0262 8.9268 121.3493 63.1688 67.4558 173.7863 54 N 5.0818 7.7468 111.5025 52.1380 39.1180 173.3252 55 N 4.7125 8.5571 118.6507 53.1248 39.6855 174.4880 56 R 4.8399 8.6130 123.2060 55.2624 31.3982 176.5349 57 A 4.3429 8.7517 125.1499 50.8214 20.0567 175.2173 58 P 4.2884 0.0000 0.0000 64.0220 31.8408 177.1812 59 G 3.9870 8.9014 111.0483 45.4188 0.0000 173.6555 60 V 3.6328 7.1978 119.2373 62.1237 31.6352 173.8872 61 P 4.3712 0.0000 0.0000 62.8410 31.8004 177.4390 62 A 4.1480 8.6061 123.8626 55.0283 18.7509 179.1741 63 R 3.9890 8.0176 112.1563 58.4141 30.4841 176.4372 64 F 5.2014 7.8605 119.4622 56.2725 40.2007 175.6755 65 S 4.6297 9.2379 118.4209 56.7264 66.2488 173.5669 66 G 4.3894 8.6637 110.3480 44.3655 0.0000 172.3727 67 S 4.7649 8.1671 113.5814 58.0651 67.1454 174.1970 68 L 5.2301 8.6749 118.9503 53.2345 44.3420 176.7289 69 I 4.4073 8.8120 124.0257 60.0601 40.2493 175.5735 70 G 3.6981 8.3160 116.7344 47.3643 0.0000 173.0523 71 N 4.9303 8.6424 119.4397 52.9450 39.0619 173.9628 72 K 5.0933 8.0890 116.5884 54.5257 36.5183 175.3526 73 A 5.0818 8.7260 123.9360 51.2947 20.8733 176.3716 74 A 5.2657 9.5740 121.7330 50.1302 23.3548 174.8704 75 L 4.4121 8.5409 122.9575 53.3326 44.2939 175.2430 76 T 4.8627 8.9232 123.4414 61.7374 71.7507 173.6977 77 I 4.4567 8.7372 126.2434 59.8877 39.8225 174.9085 78 T 4.2723 8.4182 125.5974 62.6401 68.8933 175.1700 79 G 3.8165 8.4284 116.1032 44.7983 0.0000 172.7081 80 A 3.9865 8.3913 123.0768 52.5920 19.6588 177.4020 81 Q 4.8273 10.1513 122.3141 54.2109 31.2309 176.9277 82 T 3.8406 8.6356 117.6574 67.0271 68.5105 175.8994 83 E 4.2849 8.0751 115.7634 57.7315 29.8081 176.9598 84 D 4.7293 8.5346 119.5354 55.4441 41.3556 176.0053 85 E 4.2293 8.0280 120.9406 57.1851 30.1970 175.8508 86 A 4.2631 8.3369 127.4004 52.1306 24.1705 173.9716 87 I 4.7570 7.6952 118.5156 59.9842 39.8434 175.0171 88 Y 5.0620 8.9160 124.4219 56.3149 40.6719 174.5000 89 F 5.5034 9.8436 124.0886 55.9616 41.6056 172.6596 90 C 4.7509 9.9366 118.0892 53.6396 44.5303 172.5540 91 A 5.0090 8.3839 121.3856 50.2671 22.2614 174.9118 92 L 4.7803 8.8998 122.4339 52.4926 44.7026 175.3197 93 W 4.8078 8.7832 133.3404 56.4376 32.3786 175.2269 94 Y 4.5086 8.2932 126.3029 57.4053 36.8780 175.2430 95 S 3.8753 8.0852 112.8467 59.1318 61.8434 171.6330 96 N 4.7450 7.0736 117.1329 52.9671 42.5891 173.8171 97 H 4.5530 6.4967 113.2556 53.3807 32.6329 171.7236 98 L 5.1039 8.3568 120.5368 53.5139 44.0117 175.5225 99 V 4.5395 8.9441 124.7771 61.1868 34.7697 174.2559 100 F 5.0467 8.9575 125.7207 56.3016 40.9635 176.0036 101 G 4.5072 9.3034 110.5402 45.3750 0.0000 174.3525 102 G 3.9556 8.8966 106.9065 45.4211 0.0000 172.6888 103 G 3.4541 7.9834 110.4598 45.2411 0.0000 173.2547 104 T 4.9358 8.3621 118.4832 60.4270 71.3449 173.4694 105 K 4.4931 9.0076 129.1315 55.9111 33.3956 175.2018 106 L 4.9993 9.3367 131.6035 53.9611 43.9685 175.0177 107 T 4.7629 8.7793 124.0498 62.2821 70.4274 174.2310 108 V 4.5996 9.3670 128.2650 61.2898 31.6663 175.3225 109 L 4.3218 8.6882 128.8146 54.7763 42.0957 175.8125 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 V 8.05 4.06 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 0.94 0.00 0.00 0.91 0.00 0.00 4 V 8.40 4.40 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 1.00 0.00 0.00 1.12 0.00 0.00 5 T 9.35 4.79 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 1.25 0.00 0.00 6 Q 8.54 5.15 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 7 E 8.62 4.11 0.00 2.12 1.90 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 2.43 2.40 0.00 8 S 8.89 4.29 0.00 3.93 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 9 A 7.70 5.19 1.19 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 10 L 9.11 4.87 0.00 1.54 1.48 0.90 0.78 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 11 T 8.53 5.03 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 12 T 8.81 4.75 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 13 S 8.17 5.50 0.00 3.74 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 14 P 0.00 4.50 0.00 1.91 1.99 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 15 G 9.48 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 0.00 0.00 0.00 16 E 7.81 4.50 0.00 2.02 1.88 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 2.40 2.42 0.00 17 T 8.26 5.11 4.18 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 1.18 0.00 0.00 18 V 8.60 4.51 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 0.65 0.00 0.00 0.86 0.00 0.00 19 T 8.44 4.91 4.18 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 1.18 0.00 0.00 20 L 9.08 4.89 0.00 1.23 1.60 0.68 -0.29 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 21 T 9.34 5.31 4.35 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 1.26 0.00 0.00 22 C 9.53 4.91 0.00 2.89 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 23 R 9.08 4.94 0.00 1.99 1.90 0.00 3.26 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 *28 A 8.39 4.56 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 29 V 8.52 3.88 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 0.82 0.00 0.00 0.93 0.00 0.00 30 T 9.27 4.75 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 1.24 0.00 0.00 31 T 8.34 3.82 4.01 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 1.14 0.00 0.00 32 S 7.35 3.74 0.00 3.98 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 33 N 8.37 4.65 0.00 2.86 2.73 0.00 0.00 7.45 7.34 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 34 Y 7.28 3.65 0.00 2.99 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 35 A 7.76 4.12 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 36 N 9.01 5.53 0.00 2.53 2.72 0.00 0.00 6.40 8.46 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 37 W 9.68 5.38 0.00 3.31 3.24 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 38 V 10.03 4.96 2.49 0.00 0.00 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 0.00 0.00 1.20 0.00 0.00 39 Q 9.58 4.58 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 1.87 1.42 0.00 40 E 9.07 4.44 0.00 1.16 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 1.85 1.47 0.00 41 K 8.58 4.69 0.00 1.61 1.64 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.48 7.81 42 P 0.00 4.43 0.00 2.01 1.95 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 43 D 8.66 4.78 0.00 2.70 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 44 H 7.97 4.32 0.00 3.34 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.58 4.46 0.00 1.57 1.62 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.68 4.88 0.00 2.89 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 47 T 8.85 4.65 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 1.20 0.00 0.00 48 G 8.93 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 49 L 9.29 4.76 0.00 1.86 1.60 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.81 5.31 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 1.15 0.00 0.00 51 G 9.60 4.35 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 0.00 52 G 9.54 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 0.00 0.00 0.00 0.00 53 T 8.93 4.03 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 1.25 0.00 0.00 54 N 7.75 5.08 0.00 2.84 2.91 0.00 0.00 6.04 8.04 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 55 N 8.56 4.71 0.00 3.02 2.83 0.00 0.00 6.97 7.17 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 56 R 8.61 4.84 0.00 1.74 1.89 0.00 3.56 0.00 0.00 3.60 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 57 A 8.75 4.34 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 58 P 0.00 4.29 0.00 2.07 2.01 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 2.03 2.09 0.00 59 G 8.90 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 60 V 7.20 3.63 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 0.79 0.00 0.00 1.00 0.00 0.00 61 P 0.00 4.37 0.00 2.47 2.09 0.00 3.85 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 62 A 8.61 4.15 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 63 R 8.02 3.99 0.00 1.95 2.08 0.00 2.85 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.00 64 F 7.86 5.20 0.00 3.07 2.94 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 65 S 9.24 4.63 0.00 3.80 3.88 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 66 G 8.66 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 0.00 0.00 0.00 0.00 67 S 8.17 4.76 0.00 3.86 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 68 L 8.67 5.23 0.00 1.52 1.60 0.90 0.74 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 69 I 8.81 4.41 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.04 0.92 0.00 0.00 70 G 8.32 3.70 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 0.00 0.00 0.00 71 N 8.64 4.93 0.00 2.78 2.83 0.00 0.00 6.61 7.60 0.00 0.00 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 K 8.09 5.09 0.00 1.88 1.72 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 73 A 8.73 5.08 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 74 A 9.57 5.27 1.18 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 75 L 8.54 4.41 0.00 0.27 0.13 0.49 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.92 4.86 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 1.14 0.00 0.00 77 I 8.74 4.46 1.63 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.68 0.34 0.00 0.00 78 T 8.42 4.27 4.14 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 1.14 0.00 0.00 79 G 8.43 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 0.00 0.00 0.00 80 A 8.39 3.99 1.23 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 0.00 0.00 0.00 81 Q 10.15 4.83 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.55 0.00 82 T 8.64 3.84 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 83 E 8.08 4.28 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 2.35 2.34 0.00 84 D 8.53 4.73 0.00 2.85 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 85 E 8.03 4.23 0.00 2.10 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 2.34 2.56 0.00 86 A 8.34 4.26 1.02 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 87 I 7.70 4.76 1.68 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 1.14 0.84 0.38 0.00 0.00 88 Y 8.92 5.06 0.00 2.98 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 89 F 9.84 5.50 0.00 3.16 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 90 C 9.94 4.75 0.00 1.51 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 91 A 8.38 5.01 0.59 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.90 4.78 0.00 1.35 1.06 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 93 W 8.78 4.81 0.00 3.39 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 94 Y 8.29 4.51 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 3.88 0.00 3.94 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 96 N 7.07 4.75 0.00 2.72 2.90 0.00 0.00 6.65 7.51 0.00 0.00 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 H 6.50 4.55 0.00 3.03 3.18 0.00 5.43 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.36 5.10 0.00 1.86 1.55 0.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.94 4.54 2.29 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 1.00 0.00 0.00 0.91 0.00 0.00 100 F 8.96 5.05 0.00 2.94 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 0.00 101 G 9.30 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.90 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 0.00 103 G 7.98 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.94 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 1.26 0.00 0.00 105 K 9.01 4.49 0.00 1.87 1.72 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 106 L 9.34 5.00 0.00 1.86 1.94 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.78 4.76 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 1.27 0.00 0.00 108 V 9.37 4.60 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 0.76 0.00 0.00 0.97 0.00 0.00 109 L 8.69 4.32 0.00 1.82 1.48 0.92 0.80 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 * Residues marked with a * may have inaccurate shift predictions.