NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3742 0.0000 0.0000 61.9467 31.7296 175.6389 3 R 3.7766 8.3947 124.1268 55.5701 30.5721 174.9133 4 A 4.5515 8.9453 128.6568 49.3264 20.0547 175.4349 5 K 4.0348 8.3473 120.2583 57.0505 32.7416 177.6291 6 T 3.9239 8.6860 116.8862 65.2645 69.2082 175.3490 7 G 3.8676 7.9543 109.5815 46.1876 0.0000 174.2444 8 V 3.6655 8.4507 117.3498 65.9347 32.2636 178.9732 9 V 3.4710 7.3857 119.1484 66.2832 31.3082 178.0414 10 R 3.8721 7.9486 117.7036 59.2775 30.0179 178.2445 11 R 3.9339 7.9867 118.5383 59.4856 30.0039 178.7566 12 R 3.9045 7.9114 117.2667 59.3094 29.6881 178.8439 13 K 3.8608 7.9617 118.1607 60.0500 31.8867 178.8882 14 H 4.2871 8.2194 116.6756 58.6150 28.7790 177.9334 15 K 3.9250 8.4264 120.6678 59.6543 32.3755 178.8830 16 K 3.8433 8.2287 121.2716 59.6033 32.1110 178.8109 17 I 3.7494 7.3827 119.0311 64.3909 36.9258 178.2631 18 L 4.0155 8.0071 119.8379 57.7511 42.0612 179.0239 19 K 4.0652 8.1742 118.7700 59.4277 31.8160 178.8811 20 L 3.9343 7.1694 116.6114 57.8925 41.7212 178.8226 21 A 3.9553 7.7396 117.8789 51.3009 18.5409 177.3512 22 K 3.9033 7.0095 118.4954 57.9695 32.5603 177.6555 23 G 3.9252 8.6788 110.7662 45.5620 0.0000 173.6331 24 Y 4.7931 6.7276 115.0344 57.4204 39.5444 173.8261 25 W 4.6532 8.9712 129.7238 57.0538 33.2502 176.4670 26 G 3.7287 8.0171 114.0725 46.0320 0.0000 174.9296 27 L 3.9756 8.5828 118.4174 57.6110 42.1908 179.2001 28 R 3.9907 8.1751 118.6718 58.3321 30.0948 177.5462 29 S 4.8142 8.3054 110.6320 58.0128 63.2260 174.3121 30 K 4.6451 8.1614 117.2647 55.9134 34.1714 176.4328 31 S 4.3576 7.5059 113.0807 58.4781 65.2815 175.9190 *33 R 4.4218 8.2311 114.8452 56.1588 31.2995 177.3333 34 K 4.0509 7.8813 119.2356 59.4605 31.9404 178.5239 35 A 4.5764 7.8786 122.2253 54.6421 18.1496 179.2092 36 R 3.4841 7.5176 115.4366 59.8898 30.1409 178.1436 37 E 4.2461 8.2404 117.3260 60.2068 29.4752 179.6499 38 T 3.7724 7.7464 115.3298 66.5565 68.3681 176.8303 39 L 4.0171 8.2996 121.2970 57.4517 41.6963 179.3692 40 F 4.3611 8.0969 118.0618 60.7443 38.8922 177.5867 41 A 3.7588 7.8816 119.4566 54.8273 18.0425 179.4832 42 A 3.9266 8.0222 119.4506 55.1718 18.5133 179.8853 43 G 3.7116 8.3559 104.5563 48.3946 0.0000 175.6364 44 N 4.5389 8.0927 118.9044 55.9330 38.3801 177.3100 45 Y 4.2961 8.2006 118.2143 61.0509 38.0306 177.9164 46 A 4.2299 8.5855 122.1103 55.6369 18.2430 178.8979 47 Y 4.1080 8.3257 117.3334 60.7663 38.7240 178.4800 48 A 3.9453 7.9222 121.6101 54.9114 18.7203 178.5044 49 H 4.5438 8.7192 113.0348 56.7700 28.5039 177.4062 50 R 4.0142 7.6315 121.7184 59.1384 30.4039 178.1645 51 K 4.0596 7.3341 117.9906 59.1864 31.9081 179.7235 52 R 3.8411 8.0556 118.6322 59.2736 29.9003 178.7770 53 R 4.4817 7.6145 119.5885 59.1392 29.8577 178.0665 54 K 4.0218 7.7463 117.9322 59.2587 32.1704 179.1223 55 R 3.8929 7.9890 117.8413 59.5540 29.9342 178.7490 56 D 4.1162 8.2826 118.9472 57.5641 40.8257 178.9292 57 F 3.2939 7.7452 117.8849 59.7238 38.7018 177.7216 58 R 3.9290 7.5940 117.9344 59.8838 29.9398 179.1687 59 R 3.8431 7.6814 116.7478 58.8207 30.1381 178.6693 60 L 3.7205 7.6244 120.5383 58.0132 41.8377 179.3040 61 W 4.4553 8.1057 118.8227 59.9400 29.1134 178.2734 62 I 3.6525 7.7793 119.9159 64.6448 36.4824 178.0994 63 V 3.5009 7.6121 118.4820 66.2223 31.2480 178.0423 64 R 3.9452 7.4962 116.0355 59.4555 29.8783 178.9383 65 I 3.6633 8.0820 119.5572 64.4844 37.2151 177.8030 66 N 4.4708 8.8151 117.8103 57.0063 38.6284 176.7122 67 A 4.1230 8.7161 120.4391 54.2214 18.7532 179.0389 68 A 4.2583 7.7242 119.5869 55.0462 19.2457 179.4503 69 C 4.6413 8.8063 112.7881 61.0929 29.7019 175.8253 70 R 4.4560 8.0945 122.2046 58.6632 29.6588 177.8355 71 Q 4.1321 7.8007 118.8220 59.4493 29.1727 177.5018 72 H 4.4435 8.1461 115.6026 56.6531 30.1844 175.7475 73 G 4.2044 8.9097 109.9707 44.5503 0.0000 172.2279 74 L 4.4105 7.0756 117.3773 53.8235 43.3376 174.6081 75 N 4.7086 8.2747 117.2610 53.1568 40.4396 175.6772 76 Y 4.2213 9.0306 125.0511 60.9814 38.9319 178.9652 77 S 4.1732 8.4053 114.6049 61.8818 62.7698 176.4805 78 T 3.8322 7.8247 117.7031 66.6676 68.6388 175.4478 79 F 3.9055 8.6321 122.1830 62.1516 39.1820 177.0525 80 I 3.6514 8.1621 118.7158 64.8736 37.1199 177.8752 81 H 4.2913 8.2823 118.8816 59.2479 29.4684 177.5177 82 G 3.4679 8.0817 107.4247 47.6630 0.0000 175.7269 83 L 4.0379 7.8550 121.3075 57.4408 41.5774 179.2998 84 K 3.9112 8.2023 118.4744 59.3815 32.0334 178.6325 85 K 4.0802 7.6558 117.7441 59.1959 32.2836 178.9846 86 A 4.1008 8.4954 120.4891 52.7528 18.5554 177.1932 87 G 3.7298 8.1242 105.1869 47.1722 0.0000 175.0491 88 I 4.3376 7.2589 113.5001 57.9767 37.3623 175.3792 89 E 4.0436 8.5004 128.7882 58.3590 29.5119 177.8604 90 V 3.4223 6.7677 115.7566 66.2177 31.5124 177.1299 91 D 4.5494 7.7732 125.9615 53.0539 39.2683 174.4064 92 R 4.1554 8.0345 120.9324 55.1208 29.9831 178.4668 93 K 3.7648 8.9125 122.0157 59.5983 32.0235 178.6756 94 N 3.1400 7.4293 116.5682 55.8625 38.3983 176.1069 95 L 4.4439 7.9348 119.2587 54.5008 41.8703 178.1450 96 A 4.6864 7.5776 122.3073 52.6471 17.8236 178.6834 97 D 4.4525 7.7125 117.2767 54.6203 38.7392 178.1077 98 L 4.1791 7.9359 122.1899 57.1802 41.3315 178.6532 99 A 3.4656 7.2049 120.0347 54.4407 18.0482 178.2852 100 V 3.9227 7.6265 115.2134 63.6331 32.8567 175.9579 101 R 4.3147 7.5496 118.9486 55.3693 31.3411 175.4704 102 E 4.0512 8.6752 123.9194 56.2929 26.5427 173.1338 103 P 4.3313 0.0000 0.0000 66.1078 31.8401 178.2137 104 Q 4.0818 8.1685 115.9642 59.0928 28.6445 179.0220 105 V 3.5982 7.8150 118.9396 65.9613 31.4597 177.8522 106 F 4.1859 8.2695 119.7076 61.1901 39.2549 176.7271 107 A 3.7790 8.5298 120.8893 55.2541 18.2563 179.3207 108 E 3.8024 8.4804 117.8974 59.0837 29.7568 178.9899 109 L 3.8879 7.6890 119.4581 57.3993 41.5449 179.4963 110 V 2.7675 7.4294 118.4297 65.8921 31.4603 177.8567 111 E 3.8398 8.0435 118.3426 59.5031 29.1643 179.6473 112 R 3.8241 7.9263 117.7432 59.2122 30.1037 179.0131 113 A 3.8486 7.5537 120.1685 54.7453 18.3795 179.5737 114 K 3.6800 8.1164 117.2680 59.8525 31.9727 179.3932 115 A 4.0439 7.8745 119.4533 55.0577 18.3854 179.1561 116 A 4.0107 7.9454 118.7263 55.1075 18.3973 179.5425 117 Q 4.0711 8.0043 117.6016 57.5060 29.3675 176.2609 118 G 3.7578 7.3290 110.5300 46.4564 0.0000 172.5862 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 P 0.00 4.37 0.00 2.06 2.11 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 R 8.39 3.78 0.00 1.85 1.83 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 4 A 8.95 4.55 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 5 K 8.35 4.03 0.00 1.75 1.79 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 6 T 8.69 3.92 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 7 G 7.95 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 8 V 8.45 3.67 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 7.39 3.47 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 0.93 0.00 0.00 0.97 0.00 0.00 10 R 7.95 3.87 0.00 1.92 1.93 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 11 R 7.99 3.93 0.00 1.96 2.07 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 12 R 7.91 3.90 0.00 2.03 1.96 0.00 3.19 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 1.72 1.72 0.00 13 K 7.96 3.86 0.00 1.93 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 H 8.22 4.29 0.00 3.46 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.43 3.92 0.00 1.97 2.08 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.45 7.81 16 K 8.23 3.84 0.00 1.89 2.00 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.48 7.81 17 I 7.38 3.75 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.87 0.00 0.00 18 L 8.01 4.02 0.00 1.70 1.70 0.89 0.71 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 19 K 8.17 4.07 0.00 1.98 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.79 7.81 20 L 7.17 3.93 0.00 1.93 1.72 0.90 0.83 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 A 7.74 3.96 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 22 K 7.01 3.90 0.00 1.79 1.65 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.47 7.81 23 G 8.68 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 24 Y 6.73 4.79 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 25 W 8.97 4.65 0.00 3.50 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 26 G 8.02 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 3.98 0.00 1.77 1.78 0.94 0.76 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 28 R 8.18 3.99 0.00 2.02 2.27 0.00 3.01 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 29 S 8.31 4.81 0.00 4.05 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 30 K 8.16 4.65 0.00 1.68 1.77 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.45 7.81 31 S 7.51 4.36 0.00 3.96 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 *33 R 8.23 4.42 0.00 2.08 2.29 0.00 3.00 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 34 K 7.88 4.05 0.00 1.93 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.63 7.81 35 A 7.88 4.58 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.52 3.48 0.00 1.84 2.01 0.00 3.12 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.17 0.00 37 E 8.24 4.25 0.00 2.20 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 0.00 2.54 2.50 0.00 38 T 7.75 3.77 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 0.49 0.00 0.00 39 L 8.30 4.02 0.00 1.50 1.60 0.87 1.25 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 40 F 8.10 4.36 0.00 3.25 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 41 A 7.88 3.76 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 42 A 8.02 3.93 1.42 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 0.00 0.00 0.00 43 G 8.36 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 0.00 0.00 0.00 44 N 8.09 4.54 0.00 3.01 2.99 0.00 0.00 7.12 6.78 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 45 Y 8.20 4.30 0.00 3.18 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 46 A 8.59 4.23 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.33 4.11 0.00 3.13 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 48 A 7.92 3.95 1.35 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 49 H 8.72 4.54 0.00 3.22 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.63 4.01 0.00 1.96 1.80 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 51 K 7.33 4.06 0.00 1.64 1.74 0.00 1.59 0.00 0.00 1.41 0.00 0.00 2.74 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.24 1.34 7.81 52 R 8.06 3.84 0.00 1.84 1.95 0.00 3.26 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 53 R 7.61 4.48 0.00 2.09 2.14 0.00 3.24 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 54 K 7.75 4.02 0.00 2.22 1.80 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.55 7.81 55 R 7.99 3.89 0.00 1.78 1.95 0.00 3.09 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 56 D 8.28 4.12 0.00 2.69 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 0.00 0.00 0.00 0.00 57 F 7.75 3.29 0.00 2.34 1.45 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 58 R 7.59 3.93 0.00 1.95 2.02 0.00 3.11 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 59 R 7.68 3.84 0.00 1.71 1.84 0.00 3.04 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 60 L 7.62 3.72 0.00 1.33 1.22 0.48 1.37 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 61 W 8.11 4.46 0.00 3.66 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 62 I 7.78 3.65 1.87 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 1.63 0.63 0.27 0.00 0.00 63 V 7.61 3.50 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 1.00 0.00 0.00 0.88 0.00 0.00 64 R 7.50 3.95 0.00 2.12 1.99 0.00 3.37 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 65 I 8.08 3.66 2.22 0.00 0.00 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 1.46 0.95 0.89 0.00 0.00 66 N 8.82 4.47 0.00 2.90 2.98 0.00 0.00 7.21 7.86 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 67 A 8.72 4.12 1.35 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 68 A 7.72 4.26 1.21 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 0.00 0.00 69 C 8.81 4.64 0.00 3.49 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 70 R 8.09 4.46 0.00 2.11 2.09 0.00 3.15 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 71 Q 7.80 4.13 0.00 2.16 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 72 H 8.15 4.44 0.00 3.41 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.91 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 0.00 0.00 0.00 0.00 74 L 7.08 4.41 0.00 1.80 1.73 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.27 4.71 0.00 2.94 2.88 0.00 0.00 6.45 7.48 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 76 Y 9.03 4.22 0.00 3.25 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 77 S 8.41 4.17 0.00 4.16 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 0.00 78 T 7.82 3.83 4.47 0.00 0.00 0.00 0.00 0.00 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 79 F 8.63 3.91 0.00 3.13 2.93 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 80 I 8.16 3.65 1.51 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.00 0.85 0.00 0.00 81 H 8.28 4.29 0.00 3.31 3.58 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.08 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.04 0.00 1.96 1.76 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.20 3.91 0.00 1.78 1.97 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 85 K 7.66 4.08 0.00 1.94 1.76 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.47 7.81 86 A 8.50 4.10 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 87 G 8.12 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.26 4.34 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 1.29 0.95 0.89 0.00 0.00 89 E 8.50 4.04 0.00 1.95 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 2.29 2.30 0.00 90 V 6.77 3.42 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 0.75 0.00 0.00 0.93 0.00 0.00 91 D 7.77 4.55 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 4.16 0.00 1.98 2.00 0.00 2.94 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 93 K 8.91 3.76 0.00 1.98 2.14 0.00 1.82 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.67 1.59 7.81 94 N 7.43 3.14 0.00 1.44 2.14 0.00 0.00 7.27 6.66 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 95 L 7.93 4.44 0.00 1.60 1.59 0.84 0.74 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 96 A 7.58 4.69 1.54 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 97 D 7.71 4.45 0.00 2.90 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 98 L 7.94 4.18 0.00 1.91 1.97 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.20 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.63 3.92 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 0.81 0.00 0.00 0.89 0.00 0.00 101 R 7.55 4.31 0.00 1.94 1.85 0.00 3.45 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 102 E 8.68 4.05 0.00 2.19 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 2.27 0.00 103 P 0.00 4.33 0.00 2.20 2.19 0.00 3.64 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 2.14 2.22 0.00 104 Q 8.17 4.08 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 105 V 7.81 3.60 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 1.04 0.00 0.00 0.96 0.00 0.00 106 F 8.27 4.19 0.00 3.21 3.35 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 0.00 107 A 8.53 3.78 1.42 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 0.00 0.00 0.00 108 E 8.48 3.80 0.00 2.15 1.91 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 2.25 2.31 0.00 109 L 7.69 3.89 0.00 1.68 1.57 1.02 0.80 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 0.00 110 V 7.43 2.77 1.89 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 0.76 0.00 0.00 0.36 0.00 0.00 111 E 8.04 3.84 0.00 2.02 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 2.51 2.42 0.00 112 R 7.93 3.82 0.00 1.93 1.89 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 113 A 7.55 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.12 3.68 0.00 1.77 1.79 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.65 7.81 115 A 7.87 4.04 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 0.00 116 A 7.95 4.01 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 0.00 117 Q 8.00 4.07 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 118 G 7.33 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.