NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3808 8.3444 118.8393 55.5775 29.9740 174.5094 2 F 4.2135 8.8267 122.7807 57.9371 40.0537 173.2771 3 L 4.3804 7.2777 125.8226 55.5143 45.0833 175.7550 4 F 4.6683 6.3849 116.3698 57.8380 42.1301 172.9644 5 S 4.4449 6.9085 116.5919 57.2679 66.7617 172.4095 6 M 5.0270 8.0952 119.4136 54.1927 35.3513 173.8499 7 S 4.7854 8.8042 118.5981 57.5474 67.0226 172.8363 8 T 4.9737 8.1483 110.3763 59.6838 71.5215 175.0865 9 G 2.7790 7.4510 108.6092 45.0144 0.0000 170.6844 10 P 4.3290 0.0000 0.0000 62.2364 31.5570 176.9555 11 F 4.3126 8.3948 124.2546 56.7241 39.9809 175.6156 12 I 3.8785 8.4975 125.2569 62.1672 38.0648 175.2339 13 C 5.7642 9.0234 126.3746 55.0628 44.3838 172.9961 14 T 5.0389 9.5300 115.8680 60.0369 72.3623 172.7737 15 V 4.8431 8.6534 123.3473 61.1382 33.7615 174.5692 16 K 4.5363 8.7441 128.7939 55.7454 34.5115 175.5947 17 D 4.5103 9.7753 126.1496 55.6739 38.5125 174.3540 18 N 4.2949 8.2348 113.2506 53.3320 36.8037 173.3825 19 Q 4.4053 7.9773 121.6320 54.5225 30.8048 174.4503 20 V 4.4100 8.7122 127.5201 62.1684 33.2283 174.4598 21 F 5.5562 9.6483 126.7387 55.7246 42.1077 174.3310 22 V 4.7622 8.6613 123.0632 61.3698 34.3192 175.3518 23 A 3.8826 9.2173 130.7507 53.4616 16.5364 176.5841 24 N 4.1966 8.4685 111.9098 55.4597 36.6052 174.1827 25 L 4.6625 7.8491 118.2487 51.7569 44.0048 174.2890 26 P 4.6780 0.0000 0.0000 63.0896 31.2302 175.4743 27 W 4.7396 8.9458 134.9987 59.2631 31.7317 176.0491 28 T 3.9332 7.1979 111.4074 61.7880 70.1134 170.9888 29 M 4.8104 8.4808 125.2544 53.7560 33.9853 175.1515 30 L 4.4345 8.9292 126.6983 54.1844 42.8564 176.1915 31 E 4.7228 8.2487 120.5602 55.2953 35.1637 179.2329 32 G 3.8920 8.6235 111.1552 46.9163 0.0000 175.4286 33 D 4.6509 9.2516 122.6641 55.4863 40.7806 176.4232 34 D 4.9977 7.7769 118.5672 53.7488 42.1276 177.9052 35 I 3.6434 7.5215 121.6180 64.4793 37.1588 178.1938 36 Q 3.9512 8.0021 118.1619 59.0397 28.6392 178.4880 37 V 3.7987 8.0956 118.9327 66.1994 31.3765 177.9885 38 G 3.7888 8.7014 105.4415 48.0179 0.0000 175.6296 39 K 3.9850 8.0568 121.6044 58.9286 31.9862 178.8980 40 E 3.9407 8.7187 119.8746 59.4412 29.5385 178.6611 41 F 4.2767 8.6692 120.4797 61.3544 39.5258 176.7954 42 A 3.6704 8.3518 120.1794 55.1085 18.1627 179.5263 43 A 3.9172 7.9896 119.2798 54.9290 18.4006 179.7358 44 R 3.7538 7.9977 117.4506 59.6082 30.1917 178.6397 45 V 3.3843 7.4645 118.0844 66.0364 31.3188 177.2605 46 E 3.8318 7.8398 118.6147 59.5276 29.3802 178.4234 47 D 4.2424 8.0770 117.6549 57.4811 41.3117 177.4640 48 C 4.2249 8.5078 117.4079 60.3832 39.5433 176.3041 49 T 3.8221 8.2453 117.4901 66.9261 67.9743 176.8867 50 N 4.4511 8.2790 117.2974 55.5884 38.6232 175.7118 51 V 3.9825 7.4570 117.4553 64.4545 33.0619 176.7040 52 K 4.0405 8.1145 119.2135 57.2344 32.5038 176.7815 53 H 4.2414 7.6962 114.5367 55.8045 26.3026 174.3030 54 D 4.8356 8.4471 117.2704 52.9446 43.1972 174.8949 55 M 4.3469 8.5731 124.7577 55.3198 33.4872 176.8483 56 A 4.1900 8.0941 121.8965 51.4122 20.4543 176.5419 57 P 4.3865 0.0000 0.0000 65.4897 31.3273 178.9349 58 T 3.4893 7.8375 109.0259 64.3960 68.7349 176.4816 59 C 4.4242 7.9434 120.0162 59.4802 44.1730 174.9870 60 T 3.9981 7.5944 115.3168 65.2629 69.4563 174.6975 61 K 3.7893 8.4779 116.9507 56.8084 29.6284 171.4880 62 P 3.6318 0.0000 0.0000 60.9529 32.7658 175.7656 63 P 4.1674 0.0000 0.0000 60.8456 32.3685 175.0720 64 P 4.2850 0.0000 0.0000 66.0155 30.7811 177.7021 65 F 4.6306 7.4585 110.7633 58.2384 37.8052 176.0690 66 C 4.5157 8.3445 118.9606 56.4753 40.3053 174.2055 67 G 4.0919 8.0709 107.8662 43.9442 0.0000 172.0588 68 P 4.2525 0.0000 0.0000 62.9914 31.5650 177.6169 69 Q 4.2796 8.7007 121.0748 57.2782 28.8139 175.8914 70 D 5.1003 7.8082 117.7076 53.1323 39.7922 175.9430 71 M 4.5661 7.9735 115.8650 55.5079 33.7812 174.9823 72 K 4.7508 8.4972 118.1863 55.4123 35.3841 175.2864 73 M 5.1448 8.3734 120.8787 54.0330 35.8624 173.6442 74 F 5.0188 9.3545 124.6233 55.5985 42.7036 173.8404 75 N 5.2732 8.5079 120.7575 51.5146 41.1255 173.9409 76 F 5.2883 9.2558 122.4133 55.0542 41.7733 175.3463 77 V 3.9154 8.6062 119.6312 62.6878 31.4413 176.8395 78 G 3.8993 9.8954 112.2100 45.7262 0.0000 172.5561 79 C 5.4743 7.8155 114.8289 55.6748 48.3990 172.8875 80 S 5.4917 9.2112 118.9482 57.3896 66.7892 172.9386 81 V 5.0420 9.0876 120.7303 61.2168 34.5541 173.8786 82 L 5.0352 8.9609 129.4433 53.3198 45.0940 176.0744 83 G 4.1021 9.0730 115.8197 47.4284 0.0000 174.1587 84 N 5.0534 9.2827 123.0364 52.6390 40.3386 172.7742 85 K 4.8076 8.4849 119.7312 55.0327 34.5818 175.1644 86 L 4.8347 8.2453 125.6824 53.3686 44.7010 175.1198 87 F 5.3222 9.2593 123.8373 55.9057 42.7326 173.6996 88 I 4.6986 8.4960 125.0827 59.6901 39.4260 175.9467 89 D 4.2435 8.5241 127.8904 56.4215 38.5677 173.5410 90 Q 3.5703 8.3915 110.6452 56.6581 26.9437 174.7672 91 K 4.8307 7.9821 113.8468 54.5480 36.6182 175.9524 92 Y 3.9394 9.0420 124.4335 58.0569 39.3741 176.1221 93 V 3.6085 6.9358 124.9480 62.6415 33.5681 175.2769 94 R 4.3973 5.8400 114.0312 55.7461 31.4785 172.5923 95 D 5.0271 8.5016 119.1939 53.3358 41.8859 176.9197 96 L 4.1649 9.0219 124.5405 55.2599 42.3805 177.6871 97 T 4.2019 9.0553 114.2199 60.4470 70.4107 175.4288 98 A 4.1433 8.2774 122.1530 54.1950 18.2337 179.4430 99 K 4.0005 7.9140 118.3371 59.2789 32.5058 178.4726 100 D 4.6695 7.9296 118.8932 57.6451 40.6782 178.3497 101 H 4.2618 8.1843 116.4035 59.0243 28.7757 177.4617 102 A 4.0369 7.9857 122.2575 55.6046 18.1280 179.5705 103 E 3.9324 8.3195 116.7951 59.3600 29.3578 179.8693 104 V 3.6923 7.8378 118.3745 66.0423 31.5488 178.1244 105 Q 4.0139 8.3142 117.9235 59.2421 28.4948 178.8183 106 T 3.8288 8.0559 116.7321 66.6363 68.5314 176.1975 107 F 3.7125 8.1380 122.3332 61.4480 39.3604 177.3174 108 R 3.9442 8.3996 117.7350 59.2791 29.7437 178.9173 109 E 3.9428 8.3300 118.5404 59.4718 29.5082 179.6425 110 K 3.9379 8.0908 118.6267 59.1741 31.9704 179.3502 111 I 3.5246 7.8626 119.2934 63.6313 37.7514 177.7506 112 A 4.1301 8.1340 121.6524 55.2773 18.0310 179.5037 113 A 3.9558 7.7831 118.9668 55.1799 18.4209 179.6889 114 F 4.1241 8.3766 119.4968 61.3624 39.5238 177.2737 115 E 3.7981 8.6565 117.7278 59.0578 29.0747 178.5681 116 E 3.8411 7.6751 119.2587 59.2071 29.8677 178.3257 117 Q 4.0040 7.5503 119.0636 59.2697 28.9057 178.0989 118 Q 3.8173 7.3611 117.7064 58.7102 28.7786 178.0830 119 E 4.4848 7.6650 115.3034 56.0485 30.6511 176.4033 120 N 4.9733 7.8978 115.7807 52.8638 39.6341 175.0271 121 Q 4.5345 7.8018 115.9134 53.6569 30.2124 174.1938 122 P 4.2110 0.0000 0.0000 64.7066 31.5635 175.7771 *133 P 4.1900 0.0000 0.0000 60.5019 33.0821 174.9221 134 A 3.5326 8.4839 121.8706 53.1848 14.7843 176.5668 135 G 4.0149 8.2876 112.1859 46.4626 0.0000 171.4387 136 G 4.1247 7.8918 109.8323 43.9697 0.0000 173.5452 137 L 4.7344 9.1506 119.8949 53.3061 43.5752 176.1418 138 S 4.9701 8.1690 116.7540 55.4631 65.7835 172.4133 139 P 2.9700 0.0000 0.0000 61.8640 31.1098 174.6631 140 P 4.2101 0.0000 0.0000 61.8142 31.8462 174.0673 141 P 4.5662 0.0000 0.0000 61.1596 32.3420 174.4397 142 P 4.3110 0.0000 0.0000 61.7821 32.0059 174.3660 143 P 3.9214 0.0000 0.0000 62.7564 31.5645 177.1517 144 S 3.9576 8.8485 116.0660 61.4227 62.8001 176.7181 145 F 4.2796 7.6981 114.4390 59.3630 37.4312 176.6800 146 C 4.6582 7.6403 117.5959 58.6684 40.0546 173.4350 147 T 4.4782 8.0791 114.3961 62.1723 70.2081 173.7005 148 V 3.6714 8.0937 126.5376 61.9653 33.0988 174.1277 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 1 Q 8.34 4.38 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 2 F 8.83 4.21 0.00 3.13 3.08 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 0.00 0.00 0.00 3 L 7.28 4.38 0.00 1.56 1.63 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 4 F 6.38 4.67 0.00 3.01 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 5 S 6.91 4.44 0.00 3.84 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 6 M 8.10 5.03 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.34 0.00 7 S 8.80 4.79 0.00 3.89 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 8 T 8.15 4.97 4.14 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 1.18 0.00 0.00 9 G 7.45 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 0.00 0.00 0.00 10 P 0.00 4.33 0.00 1.84 2.13 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 11 F 8.39 4.31 0.00 2.97 2.89 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 12 I 8.50 3.88 1.92 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 1.25 0.92 0.95 0.00 0.00 13 C 9.02 5.76 0.00 3.03 3.27 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 14 T 9.53 5.04 4.35 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 1.24 0.00 0.00 15 V 8.65 4.84 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 0.74 0.00 0.00 0.97 0.00 0.00 16 K 8.74 4.54 0.00 1.94 1.87 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 17 D 9.78 4.51 0.00 2.85 2.72 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 18 N 8.23 4.29 0.00 2.96 3.07 0.00 0.00 6.56 7.74 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 19 Q 7.98 4.41 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 20 V 8.71 4.41 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 1.10 0.00 0.00 0.61 0.00 0.00 21 F 9.65 5.56 0.00 3.13 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 22 V 8.66 4.76 1.78 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 0.70 0.00 0.00 0.60 0.00 0.00 23 A 9.22 3.88 1.07 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 0.00 0.00 24 N 8.47 4.20 0.00 2.78 2.79 0.00 0.00 6.99 7.85 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 25 L 7.85 4.66 0.00 1.42 0.63 0.44 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.68 0.00 2.30 2.32 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 27 W 8.95 4.74 0.00 3.38 3.26 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 28 T 7.20 3.93 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 1.31 0.00 0.00 29 M 8.48 4.81 0.00 1.94 1.82 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 2.41 2.54 0.00 30 L 8.93 4.43 0.00 1.45 1.44 0.32 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.25 4.72 0.00 1.93 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 2.24 2.23 0.00 32 G 8.62 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 0.00 0.00 0.00 33 D 9.25 4.65 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 34 D 7.78 5.00 0.00 2.64 2.74 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 35 I 7.52 3.64 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 1.49 0.71 0.96 0.00 0.00 36 Q 8.00 3.95 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 37 V 8.10 3.80 2.44 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 1.25 0.00 0.00 1.04 0.00 0.00 38 G 8.70 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.99 0.00 2.04 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 40 E 8.72 3.94 0.00 2.14 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 2.39 2.38 0.00 41 F 8.67 4.28 0.00 3.23 3.46 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 42 A 8.35 3.67 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 43 A 7.99 3.92 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 R 8.00 3.75 0.00 2.02 2.05 0.00 3.27 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 45 V 7.46 3.38 1.87 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 0.80 0.00 0.00 0.22 0.00 0.00 46 E 7.84 3.83 0.00 2.11 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 0.00 2.41 2.45 0.00 47 D 8.08 4.24 0.00 2.81 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 48 C 8.51 4.22 0.00 3.06 3.40 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 49 T 8.25 3.82 4.28 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 1.20 0.00 0.00 50 N 8.28 4.45 0.00 2.75 2.85 0.00 0.00 6.98 8.38 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 51 V 7.46 3.98 2.20 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 0.78 0.00 0.00 0.93 0.00 0.00 52 K 8.11 4.04 0.00 1.90 1.82 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.37 7.81 53 H 7.70 4.24 0.00 3.24 3.29 0.00 5.69 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.45 4.84 0.00 2.53 2.50 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 55 M 8.57 4.35 0.00 2.02 2.06 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 2.51 2.45 0.00 56 A 8.09 4.19 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 57 P 0.00 4.39 0.00 2.26 2.30 0.00 3.68 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 2.05 1.98 0.00 58 T 7.84 3.49 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 1.20 0.00 0.00 59 C 7.94 4.42 0.00 3.20 3.13 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 60 T 7.59 4.00 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 1.54 0.00 0.00 61 K 8.48 3.79 0.00 1.85 1.80 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.51 7.81 62 P 0.00 3.63 0.00 1.89 1.99 0.00 3.73 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 1.86 2.04 0.00 63 P 0.00 4.17 0.00 1.27 1.74 0.00 2.20 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.21 0.00 64 P 0.00 4.29 0.00 2.20 2.33 0.00 3.38 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 65 F 7.46 4.63 0.00 3.06 3.26 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 66 C 8.34 4.52 0.00 2.84 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 67 G 8.07 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 0.00 0.00 0.00 68 P 0.00 4.25 0.00 2.24 2.11 0.00 3.71 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 2.19 0.00 69 Q 8.70 4.28 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.49 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 70 D 7.81 5.10 0.00 2.62 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 71 M 7.97 4.57 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 72 K 8.50 4.75 0.00 1.83 1.33 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.38 7.81 73 M 8.37 5.14 0.00 1.83 1.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 74 F 9.35 5.02 0.00 3.09 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 75 N 8.51 5.27 0.00 2.57 2.76 0.00 0.00 6.53 8.02 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 76 F 9.26 5.29 0.00 3.01 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 77 V 8.61 3.92 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 0.92 0.00 0.00 1.05 0.00 0.00 78 G 9.90 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 0.00 0.00 0.00 79 C 7.82 5.47 0.00 3.08 3.08 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 0.00 0.00 0.00 80 S 9.21 5.49 0.00 4.09 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 V 9.09 5.04 2.54 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 1.31 0.00 0.00 1.03 0.00 0.00 82 L 8.96 5.04 0.00 1.80 1.88 0.40 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.07 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 0.00 0.00 0.00 84 N 9.28 5.05 0.00 2.75 2.87 0.00 0.00 6.77 7.68 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 85 K 8.48 4.81 0.00 2.00 1.53 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.24 7.81 86 L 8.25 4.83 0.00 1.40 1.35 0.92 1.02 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 87 F 9.26 5.32 0.00 3.03 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 88 I 8.50 4.70 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.96 0.00 0.00 89 D 8.52 4.24 0.00 2.81 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 90 Q 8.39 3.57 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 91 K 7.98 4.83 0.00 2.03 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.67 7.81 92 Y 9.04 3.94 0.00 2.99 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 93 V 6.94 3.61 1.70 0.00 0.00 0.00 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 0.86 0.00 0.00 94 R 5.84 4.40 0.00 1.76 1.77 0.00 3.06 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.07 0.00 95 D 8.50 5.03 0.00 2.55 2.60 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 96 L 9.02 4.16 0.00 1.29 1.33 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 T 9.06 4.20 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 1.16 0.00 0.00 98 A 8.28 4.14 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 99 K 7.91 4.00 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.54 7.81 100 D 7.93 4.67 0.00 2.87 2.40 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 0.00 101 H 8.18 4.26 0.00 3.39 3.36 0.00 5.66 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 0.00 102 A 7.99 4.04 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 0.00 0.00 103 E 8.32 3.93 0.00 2.41 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 2.28 2.56 0.00 104 V 7.84 3.69 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 0.59 0.00 0.00 1.26 0.00 0.00 105 Q 8.31 4.01 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 106 T 8.06 3.83 4.39 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 1.17 0.00 0.00 107 F 8.14 3.71 0.00 3.17 3.24 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 0.00 108 R 8.40 3.94 0.00 2.11 2.06 0.00 3.42 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 109 E 8.33 3.94 0.00 2.24 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 2.33 2.36 0.00 110 K 8.09 3.94 0.00 1.41 1.61 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.46 7.81 111 I 7.86 3.52 1.37 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.79 0.00 0.00 112 A 8.13 4.13 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 0.00 113 A 7.78 3.96 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 0.00 114 F 8.38 4.12 0.00 3.05 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 0.00 115 E 8.66 3.80 0.00 2.22 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 2.61 2.37 0.00 116 E 7.68 3.84 0.00 2.05 2.20 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 2.30 2.45 0.00 117 Q 7.55 4.00 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 118 Q 7.36 3.82 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.09 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 119 E 7.67 4.48 0.00 2.10 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 2.53 2.30 0.00 120 N 7.90 4.97 0.00 2.73 2.73 0.00 0.00 6.75 8.99 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 0.00 121 Q 7.80 4.53 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 122 P 0.00 4.21 0.00 2.05 2.15 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 *133 P 0.00 4.19 0.00 2.08 2.17 0.00 3.85 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 1.96 2.11 0.00 134 A 8.48 3.53 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 0.00 135 G 8.29 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 0.00 0.00 0.00 136 G 7.89 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.15 4.73 0.00 1.83 1.73 0.96 0.10 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 0.00 138 S 8.17 4.97 0.00 3.78 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 0.00 139 P 0.00 2.97 0.00 1.82 1.32 0.00 3.62 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 140 P 0.00 4.21 0.00 1.56 1.66 0.00 3.19 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.15 0.00 141 P 0.00 4.57 0.00 2.16 2.03 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 142 P 0.00 4.31 0.00 1.98 2.08 0.00 3.79 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 1.92 1.95 0.00 143 P 0.00 3.92 0.00 0.49 1.46 0.00 2.43 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.44 0.00 144 S 8.85 3.96 0.00 3.90 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 0.00 145 F 7.70 4.28 0.00 2.95 3.40 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 0.00 146 C 7.64 4.66 0.00 2.96 3.12 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 0.00 0.00 0.00 0.00 147 T 8.08 4.48 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 1.18 0.00 0.00 148 V 8.09 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 0.70 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.