NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3546 8.2493 123.5824 52.1965 19.9475 175.8679 3 T 4.5587 8.0611 109.9970 57.6530 71.3410 173.0965 4 T 4.1786 8.9865 117.6958 61.0280 71.8838 176.7458 5 A 3.9792 8.4798 122.8481 55.4524 18.2485 180.1097 6 K 3.9628 7.9876 116.3026 59.6570 32.1545 179.3010 7 E 4.0272 8.1419 118.5843 59.5071 29.4922 179.2408 8 E 4.0281 8.5604 119.0328 59.6515 29.4756 179.4395 9 M 4.0821 8.4267 118.9428 58.3089 32.0741 178.6691 10 A 4.2539 8.5717 121.7062 55.1715 18.6259 179.8432 11 R 4.0635 8.5896 114.7793 58.8857 29.5720 178.9124 12 F 4.1301 8.0626 121.6493 61.0683 39.3071 177.1683 13 W 4.2745 8.2944 118.2954 59.5652 28.5985 178.2042 14 E 3.9850 8.2275 118.5881 59.0989 29.4703 178.6312 15 K 4.0387 8.4909 119.9194 59.7128 32.3582 178.6228 16 N 4.2232 7.8727 116.9429 56.4256 38.1870 177.6494 17 T 3.9767 8.2564 110.7827 63.8469 68.9172 175.6528 18 K 4.3899 7.3205 118.7338 56.3875 33.3726 176.6080 19 S 4.4780 7.7714 115.9237 58.1561 64.3342 173.9579 20 S 4.7098 8.2248 112.0888 58.0289 62.9034 174.3012 21 R 4.0189 8.9353 121.3922 56.0069 30.1837 175.0692 22 P 4.5223 0.0000 0.0000 62.0473 32.5428 174.9846 23 L 4.5096 8.1262 121.0555 53.1127 42.8364 176.3822 24 S 4.3253 8.5678 121.2784 57.3132 63.6393 172.3535 25 P 4.4803 0.0000 0.0000 63.3153 31.5242 174.1854 26 H 4.8447 7.6833 111.2832 56.6310 30.7885 175.0363 27 I 3.7311 8.0535 123.1852 63.1127 38.6452 177.2657 28 S 4.4936 7.9862 112.7712 59.3421 63.3001 174.2120 29 I 4.4780 7.6559 112.5804 60.4099 38.7839 175.1540 30 Y 3.6164 7.8804 122.8211 56.7546 39.2788 174.6339 31 K 4.1238 7.3171 128.1480 55.9757 32.9429 176.6106 32 W 4.5015 8.7521 126.0421 56.1866 30.4642 175.4683 33 S 4.8948 8.3715 113.7917 55.8555 67.0626 174.8854 34 L 4.0564 8.4429 122.5344 57.8895 42.0221 176.6538 35 P 4.3931 0.0000 0.0000 66.0003 31.3031 178.1603 36 M 4.0827 8.2057 116.3742 58.7152 32.2150 178.1501 37 A 4.4417 8.5013 121.0073 55.6372 18.6297 179.4684 38 M 4.4689 8.7120 118.6601 57.4060 31.5688 179.0621 39 S 4.2539 8.0998 113.7652 61.5506 62.6192 175.9585 40 I 3.9357 7.9194 120.8514 64.2535 37.6686 177.8694 41 T 3.8492 8.2347 116.8098 66.7423 68.2245 175.9989 42 H 4.5906 8.4901 120.3944 59.1708 29.8867 177.3646 43 R 4.1092 7.9843 120.4135 59.1797 29.9520 178.6567 44 G 3.6627 8.5043 106.1878 48.0168 0.0000 175.8259 45 T 4.0290 8.3884 112.8201 64.4063 68.7541 176.8980 46 G 3.4374 8.0521 108.4949 47.4077 0.0000 175.9083 47 V 3.5493 7.8930 120.4634 65.6009 31.6087 177.9729 48 A 3.9660 8.1092 120.5690 55.1079 18.2166 179.4398 49 L 3.8628 8.3318 117.7744 58.2388 41.6502 180.0461 50 S 4.1101 8.2106 115.0132 61.6589 62.7475 176.8625 51 L 4.1059 8.3150 121.8067 57.3793 41.2728 179.8039 52 G 3.5974 7.9760 106.1435 47.5838 0.0000 176.1501 53 V 3.6630 7.9664 120.7224 65.8565 31.5398 178.3968 54 S 4.2134 8.4811 115.4067 61.4927 62.6616 176.6302 55 L 4.0730 8.1427 121.9060 57.5738 41.3583 179.2564 56 F 4.2406 8.4407 121.1424 61.0323 39.1805 177.3317 57 S 4.1356 8.3105 113.8002 60.7589 63.0600 176.5611 58 L 3.9326 7.7941 122.9216 57.6151 41.3915 179.0186 59 A 3.9091 7.9723 120.5422 55.0464 18.0231 179.4832 60 A 3.7879 7.2631 118.3250 55.2132 18.5026 179.4666 61 L 4.1590 7.4528 115.6963 56.3279 41.9279 177.7464 62 L 4.6731 7.5119 115.8041 54.1533 43.1822 176.6678 63 L 4.5190 7.7104 119.2533 52.9883 42.6103 176.2382 64 P 4.4045 0.0000 0.0000 64.5692 31.5149 175.9073 65 E 4.6779 7.5795 116.5076 54.4125 32.7881 174.9549 66 Q 4.6788 8.0558 118.5319 54.4114 30.9725 176.7894 67 F 4.1461 9.1915 120.8367 61.6890 39.1712 175.4326 68 P 4.2030 0.0000 0.0000 65.8924 31.0480 178.0609 69 H 4.0058 8.1652 116.9115 59.5238 29.7876 177.0249 70 Y 3.9933 7.5221 117.9910 60.9589 37.6011 178.1757 71 V 3.3605 7.7641 119.2101 65.6608 31.5108 177.4846 72 A 3.9003 7.9634 120.1900 55.5064 18.0170 179.2989 73 V 3.3849 7.7728 115.0450 66.4974 31.7534 177.8252 74 V 3.7275 7.8548 117.3480 66.2383 31.2939 178.1314 75 K 4.0245 8.2028 118.3200 59.3131 31.6425 178.8052 76 S 4.4337 7.9819 110.9542 59.3708 62.8268 175.0528 77 L 4.4077 7.3960 121.4767 55.2935 43.5497 178.0237 78 S 3.6550 8.2442 110.6646 59.7386 61.3237 171.9936 79 L 4.2728 7.4766 129.5006 54.6495 42.9204 177.9573 80 S 4.2511 8.4452 116.3999 57.9708 64.5728 173.3297 81 P 4.2426 0.0000 0.0000 65.8441 31.1371 178.4450 82 A 3.9931 8.0170 118.7330 55.3047 18.2592 179.2156 83 L 3.9582 7.6225 117.8313 58.3195 42.0488 179.0140 84 I 3.7031 7.9051 119.7221 64.6192 36.6968 177.3018 85 Y 4.0836 8.6695 120.3653 61.1466 38.4917 178.2870 86 S 4.1917 8.7991 115.8171 61.9294 63.0277 176.8897 87 A 4.0088 8.3419 123.1671 55.2526 18.1134 179.8512 88 K 3.9288 8.3987 117.3855 59.4207 32.0439 179.4162 89 F 3.9053 8.5361 121.2666 61.2298 39.1014 177.1288 90 A 4.1570 8.2213 119.4495 55.0132 18.1791 179.2487 91 L 4.1589 7.8407 117.3063 57.4922 42.1756 179.3275 92 V 3.8270 7.9849 118.6187 63.4407 31.5852 178.1060 93 F 3.9170 8.2593 123.6561 60.1147 39.2221 175.3002 94 P 4.0542 0.0000 0.0000 65.7128 31.1524 178.0836 95 L 3.8871 7.7768 119.6944 57.7757 41.9635 178.6985 96 S 3.8650 8.3521 113.3861 61.4274 61.8456 175.2819 97 Y 4.1963 8.3678 124.3886 60.4916 38.5111 177.8290 98 H 4.2253 8.4444 118.8032 59.2445 29.7845 177.5087 99 T 3.7036 7.7942 117.7761 66.2818 68.3530 176.7651 100 W 4.2365 7.6373 120.7162 59.9622 29.0364 178.2423 101 N 4.2428 8.1998 116.9372 56.2041 38.2173 177.2116 102 G 3.5093 7.9262 107.5839 47.6913 0.0000 175.8480 103 I 3.6585 7.9187 122.5603 63.9736 37.0804 178.4251 104 R 3.4361 7.7257 119.6059 59.5434 29.7929 178.2942 105 H 4.3670 8.0558 116.0502 59.0084 28.4999 177.8371 106 L 4.1680 7.8502 119.7128 57.5746 41.6439 179.5397 107 V 3.6995 7.7915 118.4904 65.7640 31.4065 177.9585 108 W 4.5558 8.1897 119.0779 60.1920 28.7680 178.1286 109 D 4.1950 8.6482 117.6088 57.0379 40.2900 177.7546 110 M 4.5310 8.0511 117.5622 54.7577 32.1907 176.6268 111 G 4.1304 9.1170 108.2111 45.7834 0.0000 173.5959 112 K 4.7040 8.2337 117.3400 55.5536 34.6475 176.2696 113 G 3.9256 8.9883 109.1409 46.4178 0.0000 174.6551 114 F 4.2896 8.3461 118.6790 58.6434 39.7121 177.0892 115 K 4.0638 7.9241 120.3298 56.5446 33.6306 177.5682 116 L 4.0717 8.6706 124.3026 58.2541 42.0316 179.4940 117 S 4.2657 8.0665 113.7374 61.1632 63.0712 176.2713 118 Q 4.3305 7.9179 122.8248 57.9869 28.5759 178.2530 119 V 3.6933 7.8788 119.5109 66.0787 31.6702 178.0378 120 E 4.0302 8.3635 118.3370 59.3568 28.8362 179.2034 121 Q 3.9821 8.0796 118.3241 59.1181 28.8902 179.0348 122 S 4.1424 8.8582 115.8605 61.4198 62.7978 176.7459 123 G 3.5810 8.0929 109.2158 47.6555 0.0000 175.9172 124 V 3.6884 7.7231 120.7217 65.5251 31.4699 178.2744 125 V 3.4634 8.1760 118.5741 65.8187 31.3467 178.0463 126 V 3.3354 8.1040 118.3083 66.0866 31.3122 178.0542 127 L 4.0875 8.2930 118.9903 57.6986 41.3301 179.2880 128 I 3.8205 7.6874 118.6038 63.7271 37.9941 177.8051 129 L 3.5857 7.7423 120.0271 57.7158 41.2620 179.6410 130 T 3.9988 7.6023 116.9234 66.0492 68.5133 176.3806 131 L 4.2663 7.9607 122.1388 58.2156 42.0561 179.0702 132 L 4.0582 8.2383 119.3458 57.9706 41.6784 179.7410 133 S 4.2551 8.6623 114.4534 61.5069 62.7859 176.5833 134 S 4.0490 8.5855 118.9708 60.9525 62.2773 176.3086 135 A 4.7514 7.6126 124.4549 54.3281 18.6081 179.3564 136 G 3.8654 8.6042 104.6921 48.4870 0.0000 175.9276 137 I 3.7881 8.1327 122.4992 63.4701 37.0436 178.0096 138 A 4.1101 7.8885 118.4533 53.4343 18.1070 178.1053 139 A 4.8654 7.8770 120.9807 53.6593 20.4735 178.0490 140 I 3.9053 7.5319 117.0553 60.1382 36.8027 181.5780 *141 S 4.3436 8.4156 112.8517 60.1814 62.8193 169.6645 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 8.25 4.35 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 3 T 8.06 4.56 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 4 T 8.99 4.18 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 5 A 8.48 3.98 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 6 K 7.99 3.96 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.54 7.81 7 E 8.14 4.03 0.00 2.18 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 2.37 0.00 8 E 8.56 4.03 0.00 2.14 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 2.33 2.50 0.00 9 M 8.43 4.08 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.51 0.00 10 A 8.57 4.25 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 11 R 8.59 4.06 0.00 2.06 2.25 0.00 2.80 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 12 F 8.06 4.13 0.00 3.08 2.97 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 13 W 8.29 4.27 0.00 3.52 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 14 E 8.23 3.98 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 2.50 0.00 15 K 8.49 4.04 0.00 1.78 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.42 7.81 16 N 7.87 4.22 0.00 2.31 2.53 0.00 0.00 6.88 6.33 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 17 T 8.26 3.98 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 1.41 0.00 0.00 18 K 7.32 4.39 0.00 2.06 1.96 0.00 1.60 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.42 7.81 19 S 7.77 4.48 0.00 3.96 4.06 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 0.00 0.00 0.00 0.00 20 S 8.22 4.71 0.00 3.97 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 0.00 21 R 8.94 4.02 0.00 1.58 1.87 0.00 3.23 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 22 P 0.00 4.52 0.00 2.19 2.06 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 23 L 8.13 4.51 0.00 1.65 1.67 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.57 4.33 0.00 4.05 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 25 P 0.00 4.48 0.00 2.21 2.11 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 26 H 7.68 4.84 0.00 3.27 3.33 0.00 5.46 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.05 3.73 2.00 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 1.62 0.88 0.96 0.00 0.00 28 S 7.99 4.49 0.00 4.05 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 29 I 7.66 4.48 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.93 0.00 0.00 30 Y 7.88 3.62 0.00 3.16 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 31 K 7.32 4.12 0.00 1.56 1.41 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 32 W 8.75 4.50 0.00 3.41 3.34 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 33 S 8.37 4.89 0.00 4.07 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 0.00 34 L 8.44 4.06 0.00 1.87 1.79 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.39 0.00 2.26 2.19 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 36 M 8.21 4.08 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 37 A 8.50 4.44 1.51 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 38 M 8.71 4.47 0.00 2.30 2.39 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.69 0.00 39 S 8.10 4.25 0.00 4.21 4.06 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 0.00 0.00 0.00 0.00 40 I 7.92 3.94 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 1.26 0.00 0.00 41 T 8.23 3.85 4.43 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 0.52 0.00 0.00 42 H 8.49 4.59 0.00 3.73 3.65 0.00 5.58 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.98 4.11 0.00 2.04 2.17 0.00 3.22 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 1.68 1.69 0.00 44 G 8.50 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 45 T 8.39 4.03 4.33 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 1.20 0.00 0.00 46 G 8.05 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 0.00 0.00 0.00 47 V 7.89 3.55 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 1.08 0.00 0.00 0.96 0.00 0.00 48 A 8.11 3.97 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 49 L 8.33 3.86 0.00 1.68 1.65 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.21 4.11 0.00 4.03 3.90 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 0.00 0.00 0.00 51 L 8.31 4.11 0.00 1.68 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.98 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.97 3.66 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 1.03 0.00 0.00 0.92 0.00 0.00 54 S 8.48 4.21 0.00 3.90 3.90 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 0.00 0.00 0.00 55 L 8.14 4.07 0.00 1.74 1.75 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.44 4.24 0.00 3.08 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 57 S 8.31 4.14 0.00 4.11 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 0.00 58 L 7.79 3.93 0.00 1.94 1.72 0.92 0.98 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 59 A 7.97 3.91 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 60 A 7.26 3.79 1.10 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 61 L 7.45 4.16 0.00 1.68 1.71 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.51 4.67 0.00 1.65 1.65 0.91 0.81 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 63 L 7.71 4.52 0.00 1.76 1.70 0.56 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.40 0.00 2.04 2.12 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 65 E 7.58 4.68 0.00 1.59 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.82 0.00 66 Q 8.06 4.68 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 67 F 9.19 4.15 0.00 3.30 3.30 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 68 P 0.00 4.20 0.00 2.22 2.14 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 69 H 8.17 4.01 0.00 3.08 3.13 0.00 5.78 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 70 Y 7.52 3.99 0.00 2.97 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 71 V 7.76 3.36 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 1.05 0.00 0.00 0.59 0.00 0.00 72 A 7.96 3.90 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 V 7.77 3.38 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 0.80 0.00 0.00 0.59 0.00 0.00 74 V 7.85 3.73 2.21 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 0.98 0.00 0.00 0.94 0.00 0.00 75 K 8.20 4.02 0.00 1.99 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.57 7.81 76 S 7.98 4.43 0.00 3.99 4.06 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 0.00 0.00 0.00 0.00 77 L 7.40 4.41 0.00 1.76 1.72 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.24 3.65 0.00 4.02 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 79 L 7.48 4.27 0.00 1.68 1.66 0.94 0.99 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 80 S 8.45 4.25 0.00 4.05 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 0.00 81 P 0.00 4.24 0.00 2.18 2.19 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 82 A 8.02 3.99 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 83 L 7.62 3.96 0.00 1.81 1.87 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.91 3.70 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.97 0.00 0.00 85 Y 8.67 4.08 0.00 3.16 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 86 S 8.80 4.19 0.00 4.06 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 87 A 8.34 4.01 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 88 K 8.40 3.93 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.65 7.81 89 F 8.54 3.91 0.00 2.84 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.16 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 91 L 7.84 4.16 0.00 1.79 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.98 3.83 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 0.65 0.00 0.00 0.85 0.00 0.00 93 F 8.26 3.92 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 2.32 2.37 0.00 3.86 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 95 L 7.78 3.89 0.00 1.70 1.78 0.83 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 96 S 8.35 3.87 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 4.20 0.00 2.65 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 98 H 8.44 4.23 0.00 3.44 3.35 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.79 3.70 3.67 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 0.74 0.00 0.00 100 W 7.64 4.24 0.00 3.17 2.97 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 0.00 101 N 8.20 4.24 0.00 2.18 2.58 0.00 0.00 7.16 7.42 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 0.00 102 G 7.93 3.51 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 0.00 103 I 7.92 3.66 2.07 0.00 0.00 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 1.33 0.45 0.90 0.00 0.00 104 R 7.73 3.44 0.00 1.52 1.62 0.00 2.75 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 105 H 8.06 4.37 0.00 3.31 3.36 0.00 5.67 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 0.00 106 L 7.85 4.17 0.00 1.69 1.73 0.89 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 0.00 107 V 7.79 3.70 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 0.98 0.00 0.00 0.87 0.00 0.00 108 W 8.19 4.56 0.00 3.68 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 0.00 109 D 8.65 4.20 0.00 2.83 2.84 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 0.00 110 M 8.05 4.53 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 111 G 9.12 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 0.00 0.00 0.00 112 K 8.23 4.70 0.00 1.78 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.47 7.81 113 G 8.99 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 0.00 0.00 0.00 0.00 114 F 8.35 4.29 0.00 3.13 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 0.00 115 K 7.92 4.06 0.00 2.05 1.79 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.53 7.81 116 L 8.67 4.07 0.00 1.79 1.70 0.95 0.93 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 0.00 117 S 8.07 4.27 0.00 4.11 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 0.00 118 Q 7.92 4.33 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 119 V 7.88 3.69 2.33 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 1.17 0.00 0.00 1.09 0.00 0.00 120 E 8.36 4.03 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 2.51 2.53 0.00 121 Q 8.08 3.98 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 122 S 8.86 4.14 0.00 3.76 3.98 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 0.00 123 G 8.09 3.58 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 0.00 124 V 7.72 3.69 2.18 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 0.98 0.00 0.00 0.96 0.00 0.00 125 V 8.18 3.46 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 126 V 8.10 3.34 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 0.77 0.00 0.00 127 L 8.29 4.09 0.00 1.72 1.80 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.69 3.82 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.91 0.00 0.00 129 L 7.74 3.59 0.00 0.71 0.13 0.08 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.60 4.00 4.42 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 0.81 0.00 0.00 131 L 7.96 4.27 0.00 2.07 1.89 1.29 0.80 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 0.00 132 L 8.24 4.06 0.00 1.82 1.71 0.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.66 4.26 0.00 4.21 4.46 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 0.00 134 S 8.59 4.05 0.00 3.97 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 0.00 135 A 7.61 4.75 1.65 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 0.00 0.00 136 G 8.60 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 0.00 0.00 0.00 137 I 8.13 3.79 1.93 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 1.47 0.85 0.89 0.00 0.00 138 A 7.89 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.88 4.87 1.61 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 0.00 0.00 140 I 7.53 3.91 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 1.16 0.73 0.91 0.00 0.00 *141 S 8.42 4.34 0.00 3.59 3.71 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 * Residues marked with a * may have inaccurate shift predictions.