NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2666 8.1185 123.5804 52.1910 21.0165 178.7332 3 A 3.8097 8.0520 117.6930 53.7849 18.2039 178.0251 4 S 4.0606 8.3811 114.0828 61.0404 63.7177 174.8336 5 A 3.9111 7.9145 123.9669 54.9863 18.3499 179.2128 6 A 3.9435 8.2087 119.4800 55.4008 18.4427 180.0671 7 S 4.1164 8.3665 113.9424 61.6660 62.8419 176.8297 8 S 3.9608 8.1632 115.7946 61.4711 62.1691 175.8478 9 E 3.9761 8.3161 121.3437 59.8546 29.2489 179.0513 10 H 4.2097 8.2158 117.7392 59.2584 29.9027 177.1061 11 F 4.0091 8.4510 122.5410 61.1044 39.1580 176.3548 12 E 4.0558 8.6263 119.2186 59.4806 29.3567 179.0387 13 K 3.9125 7.9534 118.0689 59.5250 32.1079 179.0692 14 L 3.8827 7.6925 119.0679 58.1925 41.5281 179.1892 15 H 4.1398 8.1486 118.0676 59.4081 29.8214 177.1948 16 E 3.9671 8.4646 120.5753 59.2644 29.2497 179.2995 17 I 3.6332 7.8433 119.9421 64.2654 37.1017 178.0485 18 F 3.7514 8.4268 121.6703 61.3917 39.2444 177.2282 19 R 3.7047 8.1251 117.6489 59.1143 29.8185 179.2258 20 G 3.5448 7.9769 105.3007 47.8522 0.0000 175.7295 21 L 3.8247 7.6618 121.6412 57.1348 41.4643 179.4254 22 L 3.6176 7.4257 120.5095 57.9444 41.7503 178.6923 23 E 4.0482 7.7071 117.2805 59.6346 29.6002 178.7662 24 D 4.4958 7.9008 118.6202 57.5086 40.9832 178.9748 25 L 4.0658 8.0629 119.5434 57.9731 41.3666 179.5639 26 Q 4.2071 8.3462 117.5326 58.7864 28.9037 178.7319 27 G 3.7807 7.9661 106.0849 46.3480 0.0000 175.9771 28 V 3.5863 7.7735 120.9417 65.6957 31.4546 175.7354 29 P 4.1344 0.0000 0.0000 66.0485 31.0636 178.1211 30 E 3.9388 8.2186 116.3253 59.6586 29.2205 179.1270 31 R 4.1690 7.7545 115.4175 57.5992 30.6417 177.9259 32 L 4.3023 7.9662 119.4739 56.6310 41.8684 178.7047 33 L 4.0868 7.9728 118.9309 57.7367 41.6983 179.3343 34 G 3.9885 7.6983 103.3848 45.6510 0.0000 174.0275 35 T 4.1807 7.3575 117.3710 62.3728 67.3290 173.9885 36 A 4.4830 8.1231 129.8986 50.3697 18.2211 176.2536 37 G 4.1115 7.8114 109.0382 45.4353 0.0000 168.7277 38 T 4.0984 8.6875 113.9901 62.6963 68.0607 175.7921 39 E 4.1794 9.0299 123.3436 57.5560 30.4353 177.3432 40 E 3.9203 7.9572 120.5980 59.1841 29.9017 178.3151 41 K 3.9648 7.6344 119.0453 59.4319 32.3000 178.9828 42 K 4.0310 7.9936 118.3768 59.1320 31.9301 179.0997 43 K 3.9929 7.8898 120.3742 59.1886 32.1121 178.6870 44 L 3.9535 7.8028 120.7090 58.2005 42.0346 179.2061 45 V 3.6614 7.8877 118.2491 65.9410 31.4193 178.2944 46 R 4.0145 7.9736 117.9546 59.1761 29.8916 178.7092 47 D 4.3492 8.3743 118.8980 57.2240 40.8511 178.4604 48 F 4.1093 8.3877 121.1041 61.6436 39.4110 176.9844 49 D 4.4055 8.3742 118.3778 57.2068 40.5491 178.6779 50 E 3.9256 8.1677 119.1514 59.5410 29.4780 179.6710 51 K 3.9937 8.0173 118.1831 59.0584 32.0284 179.2904 52 Q 3.7294 7.8725 120.2935 58.6548 28.8130 177.6542 53 Q 3.9302 7.9902 120.7570 59.3763 29.0820 178.3390 54 E 3.9232 8.1370 119.2728 59.2924 29.4716 179.2494 55 A 4.0323 8.2836 121.2333 55.2373 18.3775 179.5089 56 N 4.3796 8.3152 115.0809 56.3330 38.5893 177.3755 57 E 3.9690 8.4220 120.2416 59.8812 29.3606 179.6371 58 T 3.8868 7.8940 114.3754 66.6871 68.6105 176.4481 59 L 3.9236 7.8870 119.5139 57.5775 41.8828 179.1310 60 A 4.2075 8.2297 120.8876 54.9832 18.2751 180.2841 61 E 3.8665 8.1514 114.5728 57.2022 29.3145 178.9419 *63 E 4.3339 8.1731 121.0411 56.5234 31.6444 178.0004 64 E 4.0453 8.3534 118.2000 59.2206 29.8052 178.3398 65 E 4.3117 8.3806 118.6953 59.6637 29.7746 179.4238 66 L 4.0653 8.1776 118.1364 57.6717 41.4125 179.5836 67 R 3.8608 7.6823 117.3664 58.1284 29.9361 176.8801 68 Y 4.4510 7.3228 113.5769 57.3582 38.6563 175.7269 69 A 4.3659 7.5605 123.1748 50.5106 19.4897 176.6271 70 P 4.3954 0.0000 0.0000 63.1410 33.0988 177.5035 71 L 3.9467 8.5720 120.0243 58.3561 41.3908 179.9765 72 T 3.9375 7.9247 108.1174 64.0506 68.7018 175.6038 73 F 4.3968 7.9553 122.3013 60.3624 39.9776 176.9928 74 R 3.8208 7.8967 117.1684 59.5778 29.9733 177.7318 75 N 4.5003 7.8101 114.8300 55.0949 39.7315 175.3717 76 P 4.3003 0.0000 0.0000 62.7156 29.5515 176.1379 *79 S 4.2165 8.2375 121.1162 58.7872 64.6027 175.6073 80 K 3.5630 7.6069 120.7698 59.5627 31.7755 178.6832 81 L 3.9396 7.6521 118.5601 57.5060 41.6073 179.2073 82 R 3.8191 7.8240 118.1912 59.6914 30.0367 178.0854 83 N 4.3273 7.9213 116.0681 56.5714 38.4007 177.0596 84 Y 4.8072 8.0661 119.6700 60.7009 37.9152 178.7729 85 R 4.0118 8.1855 117.0365 59.0354 29.3973 179.1901 86 K 4.0016 8.0430 118.9521 59.3495 31.7169 178.6209 87 D 4.5045 8.3441 119.3647 57.7220 40.7459 179.3604 88 L 4.0995 8.3516 118.8734 57.8003 41.6164 179.2859 89 A 4.0274 8.4148 121.1508 55.0587 18.1476 179.5883 90 K 3.8999 8.4039 118.1870 59.7005 32.2203 178.9144 91 L 4.0528 8.2078 119.3495 58.1860 41.6616 178.6942 92 H 4.2895 8.7049 118.3920 59.7169 29.4373 177.2022 93 R 3.9200 7.5711 117.8072 59.5268 30.0758 178.6883 94 E 4.0225 7.7962 116.5445 58.8414 29.4561 178.7704 95 V 3.8678 7.1759 116.4092 63.2167 32.1114 175.7768 96 R 4.1243 7.5631 121.2907 56.3607 31.0411 174.6699 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 2 A 8.12 4.27 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 3 A 8.05 3.81 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 4 S 8.38 4.06 0.00 4.01 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 5 A 7.91 3.91 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 6 A 8.21 3.94 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 7 S 8.37 4.12 0.00 3.83 3.94 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 8 S 8.16 3.96 0.00 3.73 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 9 E 8.32 3.98 0.00 2.08 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 2.35 2.49 0.00 10 H 8.22 4.21 0.00 3.35 3.60 0.00 5.78 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 11 F 8.45 4.01 0.00 3.27 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 12 E 8.63 4.06 0.00 2.28 2.16 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 2.37 2.48 0.00 13 K 7.95 3.91 0.00 2.03 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.69 7.81 14 L 7.69 3.88 0.00 1.52 1.48 0.78 0.76 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 15 H 8.15 4.14 0.00 2.99 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.46 3.97 0.00 2.00 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 2.49 2.49 0.00 17 I 7.84 3.63 2.00 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 1.37 0.87 0.87 0.00 0.00 18 F 8.43 3.75 0.00 3.09 3.17 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 0.00 0.00 0.00 0.00 19 R 8.13 3.70 0.00 1.97 1.91 0.00 3.27 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 20 G 7.98 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 21 L 7.66 3.82 0.00 1.42 1.45 0.82 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.43 3.62 0.00 1.05 1.44 1.00 1.18 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 23 E 7.71 4.05 0.00 2.07 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 24 D 7.90 4.50 0.00 2.79 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 25 L 8.06 4.07 0.00 1.72 1.69 0.63 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 26 Q 8.35 4.21 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 27 G 7.97 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 28 V 7.77 3.59 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 0.96 0.00 0.00 1.18 0.00 0.00 29 P 0.00 4.13 0.00 2.17 2.05 0.00 3.81 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 2.21 2.11 0.00 30 E 8.22 3.94 0.00 2.00 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 2.40 2.41 0.00 31 R 7.75 4.17 0.00 1.95 1.97 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 32 L 7.97 4.30 0.00 1.88 1.64 0.77 0.80 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 33 L 7.97 4.09 0.00 1.76 1.72 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.70 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 35 T 7.36 4.18 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 1.20 0.00 0.00 36 A 8.12 4.48 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 37 G 7.81 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 38 T 8.69 4.10 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 39 E 9.03 4.18 0.00 2.09 1.97 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 2.40 2.42 0.00 40 E 7.96 3.92 0.00 2.03 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 2.37 2.36 0.00 41 K 7.63 3.96 0.00 1.98 1.77 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 42 K 7.99 4.03 0.00 1.98 1.84 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.49 7.81 43 K 7.89 3.99 0.00 1.90 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.59 7.81 44 L 7.80 3.95 0.00 2.02 1.64 0.95 0.90 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 45 V 7.89 3.66 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 0.98 0.00 0.00 0.91 0.00 0.00 46 R 7.97 4.01 0.00 2.14 1.98 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 47 D 8.37 4.35 0.00 2.99 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 48 F 8.39 4.11 0.00 3.18 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 49 D 8.37 4.41 0.00 2.95 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 50 E 8.17 3.93 0.00 2.25 1.97 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 2.33 2.47 0.00 51 K 8.02 3.99 0.00 1.66 1.71 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.57 7.81 52 Q 7.87 3.73 0.00 1.63 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 53 Q 7.99 3.93 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 54 E 8.14 3.92 0.00 2.16 1.94 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 2.30 2.43 0.00 55 A 8.28 4.03 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 56 N 8.32 4.38 0.00 2.96 2.88 0.00 0.00 7.01 7.28 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 57 E 8.42 3.97 0.00 2.13 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 2.43 0.00 58 T 7.89 3.89 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 1.26 0.00 0.00 59 L 7.89 3.92 0.00 1.80 1.62 0.80 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.23 4.21 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 61 E 8.15 3.87 0.00 2.20 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 2.36 2.54 0.00 *63 E 8.17 4.33 0.00 2.23 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 2.30 2.58 0.00 64 E 8.35 4.05 0.00 2.16 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 0.00 2.40 2.52 0.00 65 E 8.38 4.31 0.00 2.41 2.26 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 2.69 2.77 0.00 66 L 8.18 4.07 0.00 1.87 1.68 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.68 3.86 0.00 1.70 1.38 0.00 3.27 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 68 Y 7.32 4.45 0.00 2.96 3.02 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 69 A 7.56 4.37 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 70 P 0.00 4.40 0.00 2.30 2.22 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 71 L 8.57 3.95 0.00 1.74 1.76 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.92 3.94 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 1.22 0.00 0.00 73 F 7.96 4.40 0.00 2.91 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 74 R 7.90 3.82 0.00 1.91 1.88 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 75 N 7.81 4.50 0.00 2.80 2.80 0.00 0.00 7.15 7.29 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 76 P 0.00 4.30 0.00 2.07 2.13 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 *79 S 8.24 4.22 0.00 3.81 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 80 K 7.61 3.56 0.00 1.66 1.56 0.00 1.43 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 0.89 7.81 81 L 7.65 3.94 0.00 1.65 1.64 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.82 3.82 0.00 1.82 2.03 0.00 3.15 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 83 N 7.92 4.33 0.00 2.70 2.79 0.00 0.00 7.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.07 4.81 0.00 3.05 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.19 4.01 0.00 2.08 2.21 0.00 2.77 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 86 K 8.04 4.00 0.00 2.04 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.69 7.81 87 D 8.34 4.50 0.00 3.05 2.87 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 88 L 8.35 4.10 0.00 1.92 1.77 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.41 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 90 K 8.40 3.90 0.00 2.05 2.11 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 91 L 8.21 4.05 0.00 2.07 2.05 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.70 4.29 0.00 3.48 3.60 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.57 3.92 0.00 2.01 1.99 0.00 3.43 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 94 E 7.80 4.02 0.00 2.01 1.97 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 2.34 2.33 0.00 95 V 7.18 3.87 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 0.17 0.00 0.00 0.26 0.00 0.00 96 R 7.56 4.12 0.00 1.70 1.69 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.