NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3606 8.2644 122.4638 51.6948 19.8561 175.7852 3 Q 5.1443 8.1852 121.4336 55.2963 31.8152 170.9529 4 K 4.2309 8.5598 122.5249 56.0919 35.8978 173.0588 5 T 5.1729 8.4234 123.2179 62.2499 70.8442 173.5674 6 F 5.2422 9.4341 122.8963 55.5978 44.3291 173.6839 7 K 4.9992 8.5044 117.9151 54.9971 35.2920 176.0830 8 V 3.9277 8.7713 119.6784 62.2506 31.8559 176.7001 9 T 4.2572 9.1330 120.4845 63.4172 68.9563 175.3463 10 A 4.0475 7.3580 123.4251 52.6259 18.8869 178.1063 11 D 4.3796 8.7501 121.9384 57.5496 41.0599 177.7188 12 S 4.4490 8.1355 112.1308 57.7099 63.6200 176.2176 13 G 3.6680 7.5757 109.5211 46.8126 0.0000 175.9379 14 I 4.0867 7.7540 117.4919 59.9753 35.8453 174.1194 15 H 4.7274 7.7913 120.9844 54.3112 34.0488 173.3151 16 A 3.5781 8.5765 121.4535 53.0217 17.4029 177.7619 17 R 3.8772 8.7869 110.4493 60.1870 30.1655 177.5529 18 P 4.4898 0.0000 0.0000 64.8902 31.3054 178.4586 19 A 3.9886 7.7631 119.3479 55.2500 18.2332 179.8542 20 T 3.7856 7.8779 114.3350 66.6078 68.5493 176.9331 21 V 3.5457 8.0960 120.5854 66.0809 31.5718 177.7312 22 L 3.9285 7.7063 119.4483 58.2497 41.9939 179.1619 23 V 4.0942 7.6342 119.3132 65.6546 31.2628 178.0932 24 Q 4.0819 8.2391 117.1756 58.7436 28.7410 178.6183 25 T 4.0617 7.9461 117.0232 66.6441 68.3882 176.7222 26 A 4.2163 7.8895 121.1741 55.2758 18.6224 179.4711 27 S 4.3341 8.0983 112.6929 60.6246 62.5857 175.7505 28 K 4.3224 7.4571 120.2384 55.6910 32.0344 175.9618 29 Y 4.8695 6.9591 115.4140 56.4663 41.9512 175.3379 30 D 4.4816 9.2644 122.3972 56.8702 41.3529 177.4939 31 A 4.3179 8.1396 120.2319 51.9350 19.3462 177.3336 32 D 4.4739 8.6995 120.7474 54.3405 42.1905 175.5726 33 V 4.7738 8.5323 123.5180 61.2933 34.1185 174.1477 34 N 5.5037 8.6046 124.5162 51.3993 42.8122 173.5956 35 L 4.7509 8.9381 121.5434 53.6969 45.2485 174.4345 36 E 5.0970 9.2364 128.8665 55.2972 31.6342 174.4008 37 Y 4.8787 9.3977 127.1879 57.2719 42.9082 174.1855 38 N 3.9131 9.2679 123.9498 54.2379 36.2172 175.3231 39 G 3.8986 7.6468 104.5057 45.3199 0.0000 174.0132 40 K 4.6544 8.1538 120.2764 54.7380 34.6029 175.2244 41 T 5.1665 8.5771 121.1405 61.9593 70.8420 173.9760 42 V 4.5875 8.5277 117.9614 59.0990 36.6993 174.3638 43 N 4.8399 8.6990 121.2416 53.5430 38.9656 174.6760 44 L 4.0609 9.2129 129.2085 55.9969 42.8553 177.0708 45 K 4.6149 8.5850 119.9352 55.9244 31.1821 175.7536 *47 I 4.2413 7.4362 122.9059 61.6713 39.9329 178.7153 48 M 4.1570 8.0733 119.4266 58.1985 31.5608 178.8810 49 G 3.5570 7.9226 104.1133 47.7900 0.0000 175.3291 50 V 3.7177 7.7075 120.9076 66.0101 31.3760 177.9399 51 M 4.1692 8.0840 118.0128 57.7401 31.5241 178.7268 52 S 4.2175 7.7323 113.3870 60.9239 63.3369 176.1397 53 L 4.1596 7.8090 121.8507 55.0589 42.4272 176.9615 54 G 3.9027 7.5055 106.3888 46.4940 0.0000 174.6807 55 I 3.2905 6.9611 118.5830 60.7116 37.6393 176.7525 56 A 4.7251 8.1132 128.7018 49.9690 20.5447 175.7644 57 K 3.9665 8.2269 120.7601 58.1174 32.5647 176.9834 58 G 3.9611 8.8151 114.2908 45.0480 0.0000 173.5228 59 A 4.4907 7.6558 121.6654 51.9025 20.1468 176.1360 60 E 5.2631 8.8979 118.3071 54.6984 32.0560 175.8928 61 I 4.9938 8.6442 117.4212 59.4105 41.5983 174.5613 62 T 5.1373 8.7332 118.6498 62.0398 72.3157 173.0607 63 I 4.7943 8.9939 127.8450 60.1818 38.8776 175.8209 64 S 4.9964 8.3852 123.3147 57.0002 65.9085 173.2719 65 A 5.5556 7.9219 116.9713 52.1589 21.4285 175.8838 66 S 4.7354 9.2743 117.2879 56.3058 65.7452 174.7858 67 G 4.2275 8.4015 111.9886 45.2646 0.0000 171.2434 68 A 4.0771 8.0267 121.6614 55.5075 18.6126 179.1362 69 D 4.7912 8.0096 113.8040 53.6539 39.9458 177.7908 70 E 3.8849 7.7905 121.5781 60.5155 29.3643 178.7308 71 N 4.2761 8.0089 116.7602 56.0536 38.5981 177.0143 72 D 4.2532 7.9257 119.5969 57.1974 40.8967 178.0589 73 A 2.7541 7.7685 121.6090 54.9228 18.2435 179.2605 74 L 3.9177 8.0312 117.9586 58.3779 42.0203 179.3128 75 N 4.5717 8.2063 117.3059 55.6628 38.3952 177.3099 76 A 4.0393 8.2494 122.5668 55.1154 18.4479 179.6831 77 L 3.9156 8.2942 117.9697 58.0156 41.8209 179.5399 78 E 4.1757 8.5075 118.7197 59.4206 29.3647 179.1366 79 E 4.0614 7.9932 119.0073 59.7005 29.7827 179.0371 80 T 3.9031 8.1337 116.0210 66.8245 68.3815 176.4335 81 M 3.9677 8.3946 121.3452 57.9017 31.8458 178.4600 82 K 4.0900 7.6843 116.8490 58.7528 33.3007 178.7640 83 S 3.9966 8.5613 114.3818 60.7415 62.5248 174.2408 84 E 4.3530 8.9665 119.2117 54.7866 30.1132 175.5884 85 G 3.9546 7.9911 105.9584 46.9493 0.0000 175.3981 86 L 4.1685 8.5775 120.2412 56.2622 43.5680 177.9478 87 G 4.2561 7.5846 102.9909 46.0798 0.0000 173.4830 88 E 4.6693 8.8145 117.5720 56.6835 29.3917 175.3002 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 8.26 4.36 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 3 Q 8.19 5.14 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.72 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 4 K 8.56 4.23 0.00 1.71 1.53 0.00 1.71 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.93 7.81 5 T 8.42 5.17 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 1.31 0.00 0.00 6 F 9.43 5.24 0.00 2.89 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 7 K 8.50 5.00 0.00 1.83 1.94 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 8 V 8.77 3.93 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 0.69 0.00 0.00 1.04 0.00 0.00 9 T 9.13 4.26 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 1.30 0.00 0.00 10 A 7.36 4.05 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 11 D 8.75 4.38 0.00 2.68 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 12 S 8.14 4.45 0.00 3.86 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 13 G 7.58 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 0.00 0.00 0.00 0.00 14 I 7.75 4.09 1.64 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.78 0.00 0.00 15 H 7.79 4.73 0.00 3.22 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.58 3.58 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 17 R 8.79 3.88 0.00 1.92 1.95 0.00 3.24 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 18 P 0.00 4.49 0.00 2.17 2.07 0.00 4.06 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 2.10 2.12 0.00 19 A 7.76 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 20 T 7.88 3.79 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 1.20 0.00 0.00 21 V 8.10 3.55 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 1.04 0.00 0.00 1.04 0.00 0.00 22 L 7.71 3.93 0.00 1.77 1.77 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.63 4.09 2.22 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 1.34 0.00 0.00 1.01 0.00 0.00 24 Q 8.24 4.08 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 25 T 7.95 4.06 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 1.33 0.00 0.00 26 A 7.89 4.22 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 27 S 8.10 4.33 0.00 4.06 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 28 K 7.46 4.32 0.00 1.10 1.29 0.00 1.58 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.70 7.81 29 Y 6.96 4.87 0.00 2.94 3.04 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 30 D 9.26 4.48 0.00 2.73 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 31 A 8.14 4.32 1.28 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 0.00 0.00 0.00 32 D 8.70 4.47 0.00 2.67 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 V 8.53 4.77 2.11 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 1.13 0.00 0.00 1.12 0.00 0.00 34 N 8.60 5.50 0.00 2.66 2.70 0.00 0.00 5.93 6.54 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 35 L 8.94 4.75 0.00 1.68 1.49 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.24 5.10 0.00 2.07 1.84 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 2.27 2.41 0.00 37 Y 9.40 4.88 0.00 3.00 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 38 N 9.27 3.91 0.00 1.82 2.58 0.00 0.00 7.18 7.65 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 39 G 7.65 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 0.00 0.00 0.00 40 K 8.15 4.65 0.00 1.75 1.74 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.66 7.81 41 T 8.58 5.17 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 1.23 0.00 0.00 42 V 8.53 4.59 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 0.80 0.00 0.00 0.98 0.00 0.00 43 N 8.70 4.84 0.00 2.74 2.75 0.00 0.00 6.95 7.78 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 44 L 9.21 4.06 0.00 1.81 1.65 0.91 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.58 4.61 0.00 2.01 1.76 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 *47 I 7.44 4.24 1.87 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 1.40 0.56 0.90 0.00 0.00 48 M 8.07 4.16 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 49 G 7.92 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.71 3.72 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 0.99 0.00 0.00 0.91 0.00 0.00 51 M 8.08 4.17 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 52 S 7.73 4.22 0.00 4.05 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 0.00 53 L 7.81 4.16 0.00 1.73 1.65 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.51 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 0.00 0.00 0.00 55 I 6.96 3.29 1.55 0.00 0.00 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 0.18 0.27 0.59 0.00 0.00 56 A 8.11 4.73 1.28 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 0.00 0.00 0.00 57 K 8.23 3.97 0.00 1.97 1.74 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.41 7.81 58 G 8.82 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 59 A 7.66 4.49 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 60 E 8.90 5.26 0.00 1.88 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 2.25 2.32 0.00 61 I 8.64 4.99 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 0.97 0.00 0.00 62 T 8.73 5.14 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 1.29 0.00 0.00 63 I 8.99 4.79 2.06 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.99 0.00 0.00 64 S 8.39 5.00 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 5.56 1.17 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 0.00 0.00 66 S 9.27 4.74 0.00 3.87 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 67 G 8.40 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 0.00 0.00 0.00 0.00 68 A 8.03 4.08 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 69 D 8.01 4.79 0.00 3.09 3.01 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 70 E 7.79 3.88 0.00 2.33 2.31 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 2.46 2.34 0.00 71 N 8.01 4.28 0.00 2.72 2.87 0.00 0.00 7.13 8.08 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 72 D 7.93 4.25 0.00 2.72 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 73 A 7.77 2.75 1.01 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 0.00 0.00 74 L 8.03 3.92 0.00 1.84 1.66 1.05 0.60 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 75 N 8.21 4.57 0.00 3.01 2.84 0.00 0.00 6.66 7.35 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 76 A 8.25 4.04 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 0.00 0.00 0.00 0.00 0.00 77 L 8.29 3.92 0.00 1.81 1.68 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.51 4.18 0.00 2.25 2.13 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 2.63 2.73 0.00 79 E 7.99 4.06 0.00 2.08 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 0.00 2.33 2.41 0.00 80 T 8.13 3.90 4.34 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 1.18 0.00 0.00 81 M 8.39 3.97 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.35 0.00 82 K 7.68 4.09 0.00 2.07 2.10 0.00 1.35 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.44 7.81 83 S 8.56 4.00 0.00 4.08 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 84 E 8.97 4.35 0.00 2.08 1.86 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 2.20 2.26 0.00 85 G 7.99 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 0.00 0.00 0.00 0.00 86 L 8.58 4.17 0.00 1.60 1.63 0.89 1.16 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 87 G 7.58 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 0.00 0.00 0.00 0.00 88 E 8.81 4.67 0.00 1.94 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 2.26 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.