NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.4301 8.1593 112.9164 60.7323 71.7487 174.1170 4 N 4.3534 8.9440 120.8497 53.4014 37.0325 174.8516 5 Q 4.6941 6.3710 114.4360 53.8815 31.1166 179.8141 6 D 4.7618 8.1122 118.3701 54.3292 40.2259 176.6126 7 L 3.9669 7.7542 122.8654 58.3261 42.0829 178.3656 8 Q 4.0124 8.0136 121.8769 59.5264 29.0366 178.4714 9 L 4.1437 7.8042 122.8994 59.2386 41.0448 181.4191 10 A 4.1587 7.8793 121.2156 54.9847 18.2943 179.6874 11 A 3.8866 7.9473 119.1847 55.4633 18.3825 179.2656 12 H 4.0294 8.0732 114.8225 59.3171 28.8114 177.7629 13 L 4.4402 8.1010 123.1498 57.3864 41.7910 178.8495 14 R 3.8393 8.1580 118.8940 59.4496 30.0811 178.3632 15 S 4.0625 7.9680 112.7990 61.5188 62.3383 176.1410 16 Q 3.9915 8.2824 120.7857 59.0149 28.4740 179.0900 17 V 3.6057 7.9992 119.5671 66.2631 31.5911 178.2346 18 T 3.9593 8.2267 109.8552 64.9329 68.7553 176.8628 19 T 3.8184 8.0536 118.7160 66.2806 68.3790 176.4275 20 L 3.9969 7.8652 121.9823 58.4533 42.1646 179.0984 21 T 3.8150 7.7395 115.3425 66.5580 68.3761 176.4673 22 R 3.7443 8.0869 120.6906 59.4583 30.0903 178.5741 23 R 3.6726 7.8015 118.1939 59.1280 29.5728 178.3770 24 L 3.7100 7.9303 118.9831 57.8357 41.6614 179.7298 25 R 3.8578 7.8566 117.8142 59.1357 29.6228 178.9520 26 R 3.7808 7.8130 118.4003 59.6564 29.8455 178.4132 27 E 3.9805 7.7902 116.1496 57.9640 29.3444 177.8813 28 A 4.8892 7.2448 121.8060 51.4572 20.1222 176.5968 29 Q 4.7621 8.1093 120.9252 54.5752 30.3371 178.1647 30 A 4.6898 8.6821 126.8969 48.9090 21.4450 175.4911 31 D 4.5331 8.6948 121.9582 53.0367 40.1973 176.1555 32 P 4.3645 0.0000 0.0000 65.6887 30.8868 179.1072 33 V 3.5340 7.5285 117.2353 65.8512 31.4010 178.1003 34 Q 4.0305 8.1900 118.0459 58.5654 28.4895 178.0435 35 F 4.1319 8.3437 121.4133 61.6036 39.4431 176.7195 36 S 3.3013 7.2448 112.0100 61.5736 61.9132 176.3596 37 Q 3.9249 7.2832 117.3361 58.7635 28.3386 178.4377 38 L 3.8735 7.9363 121.5799 57.9041 42.0624 179.1358 39 V 3.4671 7.8076 118.8357 65.9061 31.3795 178.2764 40 V 3.5279 7.5536 117.5968 65.7242 31.4780 177.8771 41 L 3.9962 8.1797 119.2467 57.8508 41.4300 179.4700 42 G 3.7422 8.2891 105.6372 48.0422 0.0000 175.4543 43 A 3.9768 7.8686 123.0851 54.8801 18.3604 179.7046 44 I 3.6511 7.6945 118.4021 64.6688 36.6443 178.1239 45 D 4.3324 8.0374 118.2078 56.9313 40.8379 178.2545 46 R 4.0518 8.0615 119.0938 58.6237 30.1319 177.3411 47 L 4.5122 7.9867 117.0271 54.4502 41.8583 177.2930 48 G 3.9384 7.6815 106.3487 45.0348 0.0000 175.0263 49 G 3.8205 10.6224 109.9929 45.7285 0.0000 174.6970 50 D 4.7476 7.4742 119.5049 53.3309 42.1585 179.0123 51 V 4.8126 8.6907 118.0553 59.1167 36.9638 174.7168 52 T 4.6450 8.3103 111.8071 60.2245 70.3165 174.2189 53 P 4.1757 0.0000 0.0000 65.9399 31.2421 179.2141 54 S 4.0529 7.9361 112.4316 61.5299 63.2815 175.8824 55 E 3.9278 8.4627 123.3363 59.4579 29.2525 178.8939 56 L 3.8617 8.2596 118.2655 57.7831 41.5800 179.1328 57 A 3.9253 8.7442 120.1346 55.5118 18.2080 179.3766 58 A 3.8918 8.2017 117.5569 55.5745 18.5656 179.5040 59 A 4.1315 7.8455 117.2137 54.1244 18.7044 178.5876 60 E 4.5378 8.5797 115.0481 54.4165 30.4517 175.2505 61 R 3.3561 7.9132 119.5223 57.0863 28.7482 176.9532 *63 R 4.1707 8.0261 122.9784 57.9666 32.3935 173.6762 64 S 4.2032 8.1738 117.0020 61.2662 63.3913 177.1282 65 S 4.1070 8.1217 118.9577 61.6969 61.7201 175.9500 66 N 4.2821 8.2285 121.5786 57.7454 37.0382 178.1991 67 L 4.4716 7.9172 121.2502 57.4530 42.2699 178.5501 68 A 3.9372 7.9348 120.4589 55.0019 18.2385 179.3430 69 A 3.9244 7.7983 118.6433 55.5720 18.4969 179.9531 70 L 4.0047 7.4113 117.7137 57.4929 41.7123 179.7217 71 L 3.9848 8.3628 121.9130 58.4012 41.5535 179.8627 72 R 3.9189 7.9584 120.5412 61.7764 29.3444 179.9807 73 E 4.1084 8.1895 119.6750 59.2351 29.7101 179.1075 74 L 4.1127 8.7225 121.6308 58.2780 41.5082 179.9824 75 E 4.2574 8.4868 120.9574 61.3750 29.3737 183.5615 76 R 4.1130 7.5813 116.2901 59.4491 29.5287 181.6614 77 G 3.7169 7.8935 105.5356 45.8818 0.0000 173.7435 78 G 3.8736 7.5578 107.5474 46.8010 0.0000 174.6410 79 L 4.6043 8.3794 121.1755 54.8285 43.1195 176.5217 80 I 5.2164 7.6664 110.6409 59.1195 41.1620 174.8026 81 V 4.6702 9.0657 122.4287 61.1240 34.9462 174.3697 82 R 5.5845 8.5320 121.9243 54.2555 32.9738 173.4718 83 H 4.6948 7.9651 112.5893 55.4891 31.4705 172.4295 84 A 5.1103 8.7230 122.4302 51.4477 20.3260 176.3327 85 D 4.5748 8.7739 116.2477 55.5716 42.8600 178.3575 *91 R 4.5772 7.6747 117.2545 55.9882 32.4799 176.1514 92 T 4.9812 7.8175 108.7326 61.4006 71.7570 173.4087 93 R 4.8139 8.9123 124.2509 54.5926 33.8724 175.0084 94 V 5.0077 8.4400 119.2366 61.5860 35.2915 174.0476 95 S 5.0945 9.2768 121.2285 56.3514 67.0926 173.0988 96 L 4.7455 8.4778 120.1095 54.8261 42.4097 177.4243 97 S 4.6426 8.5714 117.6295 57.3307 65.0439 175.2646 98 S 4.1473 8.6608 114.1750 61.5312 62.5075 176.2806 99 E 4.0596 8.2207 121.9602 59.1355 29.2891 179.2284 100 G 3.5897 8.2184 105.7698 47.9545 0.0000 175.8648 101 R 4.0779 8.3713 121.0093 58.9286 29.9994 179.2472 102 R 3.9650 8.3308 118.7303 59.5375 30.1946 178.0291 103 N 4.2744 8.8567 117.2949 56.3886 38.5868 177.1227 104 L 3.7648 8.0124 121.3037 58.5583 42.2150 178.7100 105 Y 4.1015 8.0355 116.7321 60.5879 37.7751 178.4383 106 G 3.6346 8.4634 107.1623 47.7110 0.0000 175.1899 107 N 4.4124 8.6878 120.0015 56.6605 39.1397 177.0566 108 R 3.9326 8.0504 119.0890 59.2859 30.0903 178.9733 109 A 4.0975 8.3759 120.6852 54.8582 18.4345 179.6416 110 K 3.9183 8.0878 117.1001 59.9134 32.1491 179.7046 111 R 4.0469 7.8197 118.2075 59.2260 29.9050 179.0598 112 E 4.0231 8.1747 117.8758 59.5332 29.4120 179.1602 113 E 3.9931 8.6759 118.9834 59.3503 29.5728 179.3696 114 W 4.0884 8.4857 128.3240 60.1963 30.4728 177.8551 115 L 3.7503 8.1475 119.8735 57.8552 41.6425 178.4618 116 V 3.7401 7.9633 120.0815 66.8875 31.6450 178.3536 117 R 4.0419 7.5438 119.6803 61.3607 29.0899 181.9836 118 A 3.6059 7.0733 119.4310 52.4077 17.9562 178.7301 *120 H 4.4530 8.1685 121.7602 57.6867 31.7453 174.5258 121 A 4.0737 8.0207 121.3069 54.7741 18.3576 177.9262 122 C 4.5239 8.0795 107.4330 57.9033 30.4508 173.4859 123 L 4.8749 7.4289 119.9777 52.9973 44.5641 175.9388 124 D 4.7091 9.3023 122.1614 51.8511 41.5771 176.8478 125 E 3.9183 8.6207 118.8769 59.1813 29.9944 178.7398 126 S 4.3515 7.9445 112.6499 60.3684 64.2699 176.1817 127 E 3.9435 8.4479 121.4977 59.4571 29.2214 179.1080 128 R 3.9269 8.3340 118.2252 59.3676 30.0132 178.9894 129 A 4.0480 7.8301 120.3305 54.7328 18.2423 179.4925 130 L 3.8944 7.8871 118.9602 58.3167 42.1169 179.1894 131 L 3.8674 7.9115 118.6546 57.6927 41.3160 179.3011 132 A 3.9635 7.8899 119.4784 55.0579 18.3831 179.3448 133 A 4.0507 8.1855 118.2389 55.4119 18.8756 179.5524 134 A 4.1610 8.9042 120.3629 54.9420 18.3547 179.5613 135 G 3.7952 8.2899 104.7190 48.1312 0.0000 173.9666 136 P 4.3715 0.0000 0.0000 64.5022 31.3509 178.4624 137 L 4.1282 8.0338 117.9736 57.1922 41.7303 179.1149 138 L 4.0399 7.9697 119.2831 57.9362 41.2735 179.5285 139 T 3.9008 7.8271 114.5082 66.6780 68.8834 176.1497 140 R 4.0785 7.8203 120.7029 59.3690 30.0704 178.6245 141 L 4.0241 8.0322 118.6908 57.6611 41.4620 179.2034 142 A 4.1594 7.8305 119.0524 54.4368 18.3371 178.5611 143 Q 4.4675 7.5290 113.9227 54.5999 29.5555 175.6437 144 F 4.3540 7.8414 126.1838 58.8668 39.9821 175.4234 145 E 3.7822 7.9774 122.6914 56.0323 30.5328 171.8305 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 T 8.16 4.43 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 4 N 8.94 4.35 0.00 2.87 2.66 0.00 0.00 5.95 6.50 0.00 0.00 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 Q 6.37 4.69 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 6 D 8.11 4.76 0.00 2.93 2.91 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 0.00 0.00 0.00 0.00 7 L 7.75 3.97 0.00 1.72 1.69 0.91 0.54 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 8 Q 8.01 4.01 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 9 L 7.80 4.14 0.00 1.69 1.66 0.92 0.70 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 10 A 7.88 4.16 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 11 A 7.95 3.89 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 12 H 8.07 4.03 0.00 3.40 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.10 4.44 0.00 1.86 1.66 0.93 0.55 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 14 R 8.16 3.84 0.00 1.99 2.05 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 15 S 7.97 4.06 0.00 4.06 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 16 Q 8.28 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 17 V 8.00 3.61 2.30 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 1.06 0.00 0.00 0.94 0.00 0.00 18 T 8.23 3.96 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 1.28 0.00 0.00 19 T 8.05 3.82 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 1.21 0.00 0.00 20 L 7.87 4.00 0.00 1.85 1.69 1.11 0.74 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 21 T 7.74 3.81 4.36 0.00 0.00 0.00 0.00 0.00 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 22 R 8.09 3.74 0.00 1.84 2.05 0.00 3.02 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 23 R 7.80 3.67 0.00 1.87 1.92 0.00 2.85 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.00 24 L 7.93 3.71 0.00 1.83 1.67 0.97 1.23 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 25 R 7.86 3.86 0.00 1.92 1.87 0.00 2.93 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 26 R 7.81 3.78 0.00 1.75 1.88 0.00 2.94 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 27 E 7.79 3.98 0.00 1.76 1.74 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 1.61 1.47 0.00 28 A 7.24 4.89 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 29 Q 8.11 4.76 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.17 1.74 0.00 30 A 8.68 4.69 1.22 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 31 D 8.69 4.53 0.00 2.74 2.80 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 32 P 0.00 4.36 0.00 2.21 2.16 0.00 3.59 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 2.10 2.10 0.00 33 V 7.53 3.53 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 1.04 0.00 0.00 0.95 0.00 0.00 34 Q 8.19 4.03 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 35 F 8.34 4.13 0.00 3.09 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 36 S 7.24 3.30 0.00 3.66 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 37 Q 7.28 3.92 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 38 L 7.94 3.87 0.00 1.85 1.81 0.88 0.82 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 39 V 7.81 3.47 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 0.83 0.00 0.00 0.59 0.00 0.00 40 V 7.55 3.53 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 0.93 0.00 0.00 0.87 0.00 0.00 41 L 8.18 4.00 0.00 1.83 1.64 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.29 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 0.00 0.00 0.00 43 A 7.87 3.98 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 44 I 7.69 3.65 2.03 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 1.39 0.92 0.92 0.00 0.00 45 D 8.04 4.33 0.00 2.86 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 46 R 8.06 4.05 0.00 2.00 2.09 0.00 3.31 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 47 L 7.99 4.51 0.00 1.62 1.67 0.91 0.88 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 48 G 7.68 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 0.00 0.00 0.00 49 G 10.62 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 50 D 7.47 4.75 0.00 2.43 2.45 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 51 V 8.69 4.81 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 0.78 0.00 0.00 0.92 0.00 0.00 52 T 8.31 4.65 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 53 P 0.00 4.18 0.00 2.16 2.15 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 54 S 7.94 4.05 0.00 4.04 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 55 E 8.46 3.93 0.00 2.17 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 0.00 2.33 2.37 0.00 56 L 8.26 3.86 0.00 1.75 1.66 0.90 1.08 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 57 A 8.74 3.93 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 58 A 8.20 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.13 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 60 E 8.58 4.54 0.00 1.96 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 2.23 2.42 0.00 61 R 7.91 3.36 0.00 1.90 1.93 0.00 3.20 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 *63 R 8.03 4.17 0.00 1.84 1.85 0.00 3.28 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.00 64 S 8.17 4.20 0.00 4.04 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 65 S 8.12 4.11 0.00 3.90 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 N 8.23 4.28 0.00 2.76 2.84 0.00 0.00 6.47 6.67 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 67 L 7.92 4.47 0.00 1.76 1.66 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.93 3.94 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 69 A 7.80 3.92 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 70 L 7.41 4.00 0.00 1.85 1.67 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.36 3.98 0.00 1.82 1.69 0.89 1.09 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 72 R 7.96 3.92 0.00 1.82 1.97 0.00 3.27 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 73 E 8.19 4.11 0.00 2.20 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 2.29 2.35 0.00 74 L 8.72 4.11 0.00 1.72 1.68 0.88 1.04 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 75 E 8.49 4.26 0.00 1.99 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 2.24 2.19 0.00 76 R 7.58 4.11 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 77 G 7.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.56 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 79 L 8.38 4.60 0.00 1.56 1.71 0.91 0.70 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 80 I 7.67 5.22 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 1.22 0.66 0.90 0.00 0.00 81 V 9.07 4.67 2.12 0.00 0.00 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 0.95 0.00 0.00 82 R 8.53 5.58 0.00 1.75 2.02 0.00 2.71 0.00 0.00 3.92 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 83 H 7.97 4.69 0.00 3.17 3.41 0.00 5.44 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 84 A 8.72 5.11 1.25 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 0.00 0.00 0.00 85 D 8.77 4.57 0.00 2.66 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 0.00 0.00 0.00 0.00 *91 R 7.67 4.58 0.00 1.52 1.96 0.00 3.19 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 92 T 7.82 4.98 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 1.23 0.00 0.00 93 R 8.91 4.81 0.00 1.49 1.77 0.00 3.09 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 94 V 8.44 5.01 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 0.97 0.00 0.00 0.90 0.00 0.00 95 S 9.28 5.09 0.00 3.95 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 96 L 8.48 4.75 0.00 1.59 1.67 0.96 0.91 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 97 S 8.57 4.64 0.00 3.92 4.03 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 0.00 0.00 0.00 98 S 8.66 4.15 0.00 4.08 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 99 E 8.22 4.06 0.00 2.14 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 2.40 1.94 0.00 100 G 8.22 3.59 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 0.00 101 R 8.37 4.08 0.00 2.16 2.14 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 102 R 8.33 3.96 0.00 1.92 2.20 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 103 N 8.86 4.27 0.00 2.93 2.86 0.00 0.00 6.73 5.12 0.00 0.00 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 L 8.01 3.76 0.00 1.66 1.64 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.04 4.10 0.00 3.24 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 0.00 106 G 8.46 3.63 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 0.00 107 N 8.69 4.41 0.00 2.78 2.98 0.00 0.00 7.25 7.54 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 0.00 108 R 8.05 3.93 0.00 2.06 2.02 0.00 3.00 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 109 A 8.38 4.10 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 0.00 110 K 8.09 3.92 0.00 2.13 1.92 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.37 7.81 111 R 7.82 4.05 0.00 2.02 2.05 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 112 E 8.17 4.02 0.00 2.26 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 0.00 2.38 2.60 0.00 113 E 8.68 3.99 0.00 2.11 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 0.00 2.36 2.36 0.00 114 W 8.49 4.09 0.00 3.40 3.19 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 0.00 115 L 8.15 3.75 0.00 2.10 1.91 1.05 0.92 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 0.00 116 V 7.96 3.74 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 0.80 0.00 0.00 0.98 0.00 0.00 117 R 7.54 4.04 0.00 1.80 1.94 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 118 A 7.07 3.61 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.45 0.00 3.22 3.45 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.02 4.07 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 0.00 122 C 8.08 4.52 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 0.00 123 L 7.43 4.87 0.00 1.56 1.53 0.89 1.03 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 0.00 124 D 9.30 4.71 0.00 2.82 2.80 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 0.00 125 E 8.62 3.92 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 2.37 2.29 0.00 126 S 7.94 4.35 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 0.00 127 E 8.45 3.94 0.00 2.31 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 2.31 2.37 0.00 128 R 8.33 3.93 0.00 1.96 1.98 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 129 A 7.83 4.05 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 0.00 130 L 7.89 3.89 0.00 1.89 1.88 0.92 0.60 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 0.00 131 L 7.91 3.87 0.00 1.92 1.71 0.92 0.82 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 A 7.89 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.19 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 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 0.00 0.00 0.00 136 P 0.00 4.37 0.00 2.18 2.14 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 137 L 8.03 4.13 0.00 1.86 1.70 0.92 0.47 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 0.00 138 L 7.97 4.04 0.00 1.84 1.73 0.94 0.45 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 0.00 139 T 7.83 3.90 4.44 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 1.26 0.00 0.00 140 R 7.82 4.08 0.00 2.01 2.06 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 141 L 8.03 4.02 0.00 1.76 1.68 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.83 4.16 1.43 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 0.00 0.00 0.00 143 Q 7.53 4.47 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 144 F 7.84 4.35 0.00 2.93 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 0.00 145 E 7.98 3.78 0.00 1.96 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 2.12 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.