NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4868 8.2893 120.3260 55.5933 33.3660 174.1293 2 R 4.4396 7.9157 116.4673 54.2789 32.2974 172.9429 3 L 4.1910 9.1031 120.4128 54.8339 43.3122 178.1664 4 L 4.4466 8.6085 124.2645 56.8864 42.7592 176.2102 5 H 5.0892 7.5624 109.9338 55.3462 31.3973 172.4738 6 T 4.5912 8.4424 115.2547 61.9303 71.2543 172.9229 7 M 4.7850 8.5700 126.1795 53.8962 34.0350 174.8831 8 L 4.4931 8.3163 125.3585 52.6873 45.4809 175.9126 9 R 4.4453 8.4511 122.9731 55.9916 30.5420 176.3177 10 V 4.7063 8.7606 117.4619 59.6027 34.2309 176.4964 11 G 3.8188 9.6831 111.3038 47.1356 0.0000 173.3695 12 D 4.4044 7.9280 119.2121 51.6968 43.6521 174.7058 13 L 3.9307 8.0964 129.1305 58.6807 42.1409 178.5625 14 Q 4.0274 7.9610 118.6278 59.0291 28.9950 178.0206 15 R 3.9205 8.3865 119.8344 59.6246 30.1394 178.7915 16 S 4.3354 8.3669 115.1314 61.6348 62.8731 176.5769 17 I 3.8354 8.4845 122.8746 64.6570 36.8231 178.1379 18 D 4.4073 8.7445 119.9498 57.2753 40.6343 178.5804 19 F 4.0053 8.1440 120.5887 61.7069 39.4655 176.8387 20 Y 3.9587 8.2799 116.5287 60.8937 37.6321 178.5885 21 T 4.5744 8.0440 111.9946 63.8917 69.2196 177.3584 22 K 3.9394 8.0545 121.4768 58.3240 32.5114 178.7974 23 V 3.7232 7.5086 116.8122 65.1222 31.7394 176.8934 24 L 4.0332 7.4300 117.2103 55.4988 41.7400 178.1198 25 G 3.9776 8.1310 106.5869 45.3445 0.0000 173.2288 26 M 4.1198 7.8213 120.1744 54.6768 33.9199 175.0450 27 K 4.8534 8.6366 118.0847 54.4738 36.2804 175.8683 28 L 4.3035 8.4768 125.0981 55.1392 41.8696 176.2523 29 L 4.5041 9.1570 127.8507 56.9284 42.7997 177.2157 30 R 4.6485 7.5414 112.1410 55.9990 32.0187 173.5480 31 T 5.4832 8.4559 109.6508 60.8077 72.5386 172.2612 32 S 4.8734 8.7652 115.2349 57.8520 66.7095 173.4420 33 E 5.1716 8.6225 117.3612 54.8791 32.9014 174.3272 34 N 4.7523 8.9543 120.3958 51.3199 41.1782 173.3131 35 P 4.2696 0.0000 0.0000 65.4160 32.2515 178.3333 36 E 3.4900 8.1492 119.0079 59.0280 29.4093 176.9333 37 Y 4.4294 8.2469 112.8969 57.0751 39.2742 175.2098 38 K 2.0000 6.9645 119.0285 56.0499 29.5604 173.3864 39 Y 4.7245 5.9812 116.5371 55.8335 42.5665 175.5762 40 S 5.3731 9.6446 115.3500 56.9605 67.5147 173.3612 41 L 5.4595 9.2503 121.7967 53.0626 46.0174 175.4775 42 A 5.1056 8.5579 122.3901 50.4970 22.7370 174.8879 43 F 4.9973 9.5726 122.2568 56.0093 41.0811 175.5496 44 V 4.8801 8.1642 116.7722 59.7068 35.4592 175.0015 45 G 4.2507 8.2337 109.5077 46.5000 0.0000 173.4348 46 Y 4.7310 8.8477 115.9743 58.2713 38.2814 175.5980 47 G 4.1936 7.4678 107.4199 43.5755 0.0000 171.3055 48 P 4.4618 0.0000 0.0000 62.2625 31.7995 177.3577 49 E 3.9495 8.7101 119.1602 59.5428 29.4253 178.5896 50 T 4.1935 7.8242 106.8266 62.7528 69.5055 174.9336 51 E 4.4923 8.1686 120.8134 56.8285 31.2861 175.0378 52 E 4.7193 7.7451 115.2573 54.4461 33.8524 173.8615 53 A 4.7261 8.3630 121.0814 51.9106 20.2230 177.4021 54 V 4.6167 8.4808 113.6399 59.9246 36.4640 173.9494 55 I 4.7973 8.3761 120.8188 60.0851 40.5897 174.6561 56 E 3.9084 8.8425 128.1604 54.4007 31.0805 174.4658 57 L 4.6696 8.5338 128.7801 53.8939 43.4437 175.9171 58 T 5.0047 8.5988 121.0568 61.7808 71.3523 172.5741 59 Y 5.0826 9.4280 128.0803 55.9336 41.4897 173.9337 60 N 4.9193 8.0471 125.2328 51.5103 40.2824 175.0795 61 W 4.3370 8.2473 124.4641 58.6442 29.4777 176.6489 62 G 3.9430 9.0490 111.3179 45.4628 0.0000 172.8380 63 V 4.2035 7.6550 119.7372 60.9679 32.4065 174.8878 64 D 5.2635 8.4382 124.2572 51.9179 40.1928 175.1212 65 K 4.4761 7.1979 119.3139 55.5911 35.0507 173.9405 66 Y 4.6487 8.1839 121.4164 56.3039 41.9005 174.2556 67 E 4.5422 8.5933 120.1004 54.6065 30.4106 176.1615 68 L 3.8533 8.6411 127.0197 56.4516 42.4090 178.1108 69 G 3.9381 8.0488 106.1928 45.0250 0.0000 172.5157 70 T 4.4570 8.3000 106.0740 61.3247 69.7677 175.1094 71 A 4.1203 8.0374 125.2676 55.2221 19.0181 177.3984 72 Y 4.1825 8.0810 115.5903 58.0677 38.8942 174.9087 73 G 3.3640 7.0923 116.2181 45.5238 0.0000 174.4019 74 H 4.6229 6.6304 115.4042 54.6329 32.0064 173.2486 75 I 4.7348 8.2217 117.8323 59.5169 39.8656 174.8738 76 A 5.2415 8.7535 127.7455 50.3009 21.0177 175.8353 77 L 5.0377 8.9269 121.5715 52.8213 45.9148 176.2277 78 S 5.0534 8.5226 115.9511 58.0685 64.9416 173.5408 79 V 4.4701 8.2648 113.2225 60.2719 35.7763 175.9432 80 D 4.3330 8.7343 122.0427 56.5593 41.3839 177.0387 81 N 4.8712 7.7278 116.4630 50.7479 40.4098 174.0332 82 A 3.9291 9.3801 130.4298 54.9935 18.6476 178.8671 83 A 3.9120 8.0004 118.5533 55.3681 18.5424 179.2767 84 E 3.8384 8.8524 117.8965 59.2731 29.6597 178.7587 85 A 3.9655 8.4004 121.2124 55.4603 18.4258 179.2411 86 C 4.0616 8.3763 115.4792 63.0729 28.3324 176.3345 87 E 3.9388 8.1165 119.8995 59.2481 28.8707 179.1607 88 K 3.8697 7.8309 118.1586 59.6364 32.5434 178.5123 89 I 3.9100 8.1356 120.4770 64.4659 36.9197 178.7316 90 R 4.2171 8.3189 115.5712 58.7135 29.2354 177.7501 91 Q 4.4918 7.7822 116.0254 55.6084 30.1693 174.9542 92 N 5.0354 8.2854 117.1400 52.5119 39.2462 175.2257 93 G 3.9785 8.7573 105.8023 44.8507 0.0000 172.4677 94 G 4.3554 7.6411 105.9160 44.5572 0.0000 171.9727 95 N 5.1725 8.6176 116.1313 52.0130 42.9104 173.6782 96 V 4.6285 8.4833 125.1932 61.8903 32.2100 175.1318 97 T 4.4248 8.7989 118.5182 62.5593 70.7282 174.8918 98 R 4.5633 7.8542 121.8184 54.1880 32.9663 174.3762 99 E 4.5159 9.0414 125.9636 56.1418 30.3760 177.0424 100 A 4.3168 8.7994 124.4653 52.0485 19.0958 177.2489 101 G 4.1862 8.4097 110.2531 45.1625 0.0000 170.6494 102 P 5.6137 0.0000 0.0000 62.0163 32.4256 176.2385 103 V 3.9293 8.2592 120.5139 61.7292 32.4126 175.5081 104 K 3.8907 8.7092 124.8999 58.4145 32.2162 176.5866 105 G 3.9414 9.1151 110.4875 46.1482 0.0000 172.7783 106 G 4.2588 8.3928 107.9792 44.1932 0.0000 172.9048 107 T 4.5158 8.1795 106.1694 61.2352 70.5218 174.3728 108 T 4.0371 7.7348 120.5957 63.5037 69.6723 173.6655 109 V 4.4007 8.4303 127.2423 62.6822 32.9618 174.7566 110 I 5.6432 8.9710 119.8708 59.1486 41.7244 173.3716 111 A 5.0396 7.9802 122.2901 50.9530 23.0758 174.8775 112 F 5.1041 9.0385 117.4060 55.8892 42.6059 175.2034 113 V 4.9951 9.2923 115.6603 59.7761 36.7565 173.9178 114 E 5.3587 9.2185 120.5944 54.8738 33.0847 176.8797 115 D 4.1817 8.7588 123.2502 51.3408 41.3855 175.1668 116 P 4.1469 0.0000 0.0000 65.2914 31.1857 177.0469 117 D 4.6031 8.8331 116.3676 53.8977 41.0402 177.3057 118 G 3.9327 8.1856 108.7218 44.8460 0.0000 173.7243 119 Y 4.5493 7.8912 118.4685 57.9808 38.6409 175.6535 120 K 4.8979 9.1029 123.5350 56.5829 34.0278 175.9557 121 I 5.1359 9.1681 124.1784 59.6571 41.2665 173.7649 122 E 4.1567 9.1628 128.1221 54.4059 31.5731 174.2879 123 L 5.0085 8.4885 127.3723 53.0804 44.3265 175.3160 124 I 4.7258 8.5417 125.4714 59.2078 39.6042 174.7247 125 E 4.6045 9.0363 130.0424 56.2129 29.6388 176.4209 126 E 3.9938 8.7075 125.2307 58.0968 30.8426 178.0167 *134 G 3.7816 7.7185 107.7421 44.7223 0.0000 172.0860 135 N 4.4945 8.2513 121.5993 52.7852 37.3893 174.7087 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 M 8.29 4.49 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.92 4.44 0.00 1.95 1.85 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 3 L 9.10 4.19 0.00 1.65 1.67 0.93 0.98 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 4 L 8.61 4.45 0.00 1.52 1.72 0.91 0.98 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 5 H 7.56 5.09 0.00 3.23 3.32 0.00 5.46 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.44 4.59 4.19 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 1.15 0.00 0.00 7 M 8.57 4.78 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 8 L 8.32 4.49 0.00 1.11 0.55 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.45 4.45 0.00 0.67 0.71 0.00 2.63 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 0.00 10 V 8.76 4.71 2.35 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 0.84 0.00 0.00 1.12 0.00 0.00 11 G 9.68 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 12 D 7.93 4.40 0.00 2.67 2.51 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 13 L 8.10 3.93 0.00 1.65 1.51 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.96 4.03 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 15 R 8.39 3.92 0.00 2.12 2.12 0.00 3.14 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 1.65 1.70 0.00 16 S 8.37 4.34 0.00 4.13 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 3.84 2.03 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 1.56 0.95 0.96 0.00 0.00 18 D 8.74 4.41 0.00 2.90 2.77 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 19 F 8.14 4.01 0.00 3.05 3.03 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 20 Y 8.28 3.96 0.00 3.16 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 21 T 8.04 4.57 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 1.26 0.00 0.00 22 K 8.05 3.94 0.00 1.86 1.89 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.45 7.81 23 V 7.51 3.72 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 0.44 0.00 0.00 0.83 0.00 0.00 24 L 7.43 4.03 0.00 1.75 1.75 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.13 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 0.00 0.00 0.00 26 M 7.82 4.12 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.04 0.00 27 K 8.64 4.85 0.00 1.63 1.66 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.51 7.81 28 L 8.48 4.30 0.00 1.67 1.61 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.16 4.50 0.00 1.65 1.71 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.54 4.65 0.00 1.83 1.95 0.00 2.76 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.58 0.00 31 T 8.46 5.48 4.41 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 1.28 0.00 0.00 32 S 8.77 4.87 0.00 3.99 4.07 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 33 E 8.62 5.17 0.00 2.30 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 2.27 2.44 0.00 34 N 8.95 4.75 0.00 2.15 1.42 0.00 0.00 6.98 7.57 0.00 0.00 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 P 0.00 4.27 0.00 2.27 2.46 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 36 E 8.15 3.49 0.00 1.58 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 1.47 1.85 0.00 37 Y 8.25 4.43 0.00 3.27 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 38 K 6.96 2.00 0.00 1.66 1.66 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.20 7.81 39 Y 5.98 4.72 0.00 3.07 2.96 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 40 S 9.64 5.37 0.00 4.15 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 41 L 9.25 5.46 0.00 1.71 1.37 1.25 1.18 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 42 A 8.56 5.11 1.20 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 43 F 9.57 5.00 0.00 2.96 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 44 V 8.16 4.88 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 0.70 0.00 0.00 0.72 0.00 0.00 45 G 8.23 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 0.00 0.00 0.00 0.00 46 Y 8.85 4.73 0.00 3.02 2.96 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 47 G 7.47 4.19 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 0.00 48 P 0.00 4.46 0.00 2.23 2.19 0.00 3.74 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 2.08 2.00 0.00 49 E 8.71 3.95 0.00 1.90 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 2.29 2.24 0.00 50 T 7.82 4.19 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 1.19 0.00 0.00 51 E 8.17 4.49 0.00 2.07 2.03 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 2.25 2.25 0.00 52 E 7.75 4.72 0.00 1.94 1.88 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 2.24 2.29 0.00 53 A 8.36 4.73 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 54 V 8.48 4.62 2.36 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 0.93 0.00 0.00 1.10 0.00 0.00 55 I 8.38 4.80 1.53 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.95 0.55 0.00 0.00 56 E 8.84 3.91 0.00 1.43 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 1.71 1.47 0.00 57 L 8.53 4.67 0.00 1.54 1.52 0.88 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.60 5.00 4.07 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 1.03 0.00 0.00 59 Y 9.43 5.08 0.00 3.12 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 N 8.05 4.92 0.00 2.87 2.67 0.00 0.00 6.55 7.55 0.00 0.00 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 W 8.25 4.34 0.00 3.33 3.03 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 62 G 9.05 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 63 V 7.65 4.20 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 0.32 0.00 0.00 0.86 0.00 0.00 64 D 8.44 5.26 0.00 2.88 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 65 K 7.20 4.48 0.00 1.60 1.54 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.45 7.81 66 Y 8.18 4.65 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.54 0.00 1.98 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 2.24 2.22 0.00 68 L 8.64 3.85 0.00 1.49 1.68 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.05 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 70 T 8.30 4.46 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 71 A 8.04 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 72 Y 8.08 4.18 0.00 2.96 3.05 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 0.00 0.00 0.00 73 G 7.09 3.36 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 0.00 74 H 6.63 4.62 0.00 3.33 3.34 0.00 5.48 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.22 4.73 2.04 0.00 0.00 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 1.27 0.98 1.02 0.00 0.00 76 A 8.75 5.24 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 77 L 8.93 5.04 0.00 1.62 1.67 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.52 5.05 0.00 3.80 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 79 V 8.26 4.47 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 0.83 0.00 0.00 0.96 0.00 0.00 80 D 8.73 4.33 0.00 2.63 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 81 N 7.73 4.87 0.00 2.67 2.62 0.00 0.00 7.10 8.39 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 82 A 9.38 3.93 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 A 8.00 3.91 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 84 E 8.85 3.84 0.00 2.02 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 2.29 2.32 0.00 85 A 8.40 3.97 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 86 C 8.38 4.06 0.00 3.15 3.02 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 0.00 0.00 0.00 87 E 8.12 3.94 0.00 2.15 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 2.46 0.00 88 K 7.83 3.87 0.00 1.91 1.96 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 89 I 8.14 3.91 2.12 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 1.45 0.71 1.17 0.00 0.00 90 R 8.32 4.22 0.00 1.95 2.11 0.00 3.29 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 91 Q 7.78 4.49 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.42 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 92 N 8.29 5.04 0.00 2.78 2.77 0.00 0.00 7.20 6.93 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 93 G 8.76 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 0.00 0.00 0.00 94 G 7.64 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 0.00 0.00 0.00 0.00 95 N 8.62 5.17 0.00 2.83 2.61 0.00 0.00 7.17 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 96 V 8.48 4.63 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 0.98 0.00 0.00 0.97 0.00 0.00 97 T 8.80 4.42 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 1.28 0.00 0.00 98 R 7.85 4.56 0.00 1.94 2.12 0.00 3.64 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 99 E 9.04 4.52 0.00 1.91 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 0.00 2.34 2.29 0.00 100 A 8.80 4.32 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 0.00 101 G 8.41 4.19 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 0.00 102 P 0.00 5.61 0.00 2.22 2.07 0.00 3.37 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 103 V 8.26 3.93 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 1.10 0.00 0.00 0.97 0.00 0.00 104 K 8.71 3.89 0.00 1.79 1.79 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 105 G 9.12 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 0.00 106 G 8.39 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 0.00 107 T 8.18 4.52 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 0.00 108 T 7.73 4.04 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 1.19 0.00 0.00 109 V 8.43 4.40 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 1.05 0.00 0.00 0.97 0.00 0.00 110 I 8.97 5.64 1.77 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 1.11 0.30 0.86 0.00 0.00 111 A 7.98 5.04 1.24 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 0.00 0.00 112 F 9.04 5.10 0.00 3.08 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 0.00 113 V 9.29 5.00 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 0.82 0.00 0.00 1.13 0.00 0.00 114 E 9.22 5.36 0.00 1.87 1.80 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 2.40 2.28 0.00 115 D 8.76 4.18 0.00 1.99 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 0.00 116 P 0.00 4.15 0.00 1.98 2.07 0.00 2.86 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 117 D 8.83 4.60 0.00 2.78 2.56 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 0.00 118 G 8.19 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 0.00 119 Y 7.89 4.55 0.00 3.33 3.02 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 0.00 0.00 0.00 120 K 9.10 4.90 0.00 2.01 1.94 0.00 1.70 0.00 0.00 2.14 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.44 7.81 121 I 9.17 5.14 2.03 0.00 0.00 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 1.37 1.07 1.08 0.00 0.00 122 E 9.16 4.16 0.00 1.53 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 1.83 1.47 0.00 123 L 8.49 5.01 0.00 1.50 1.49 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.54 4.73 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.56 0.87 0.00 0.00 125 E 9.04 4.60 0.00 1.99 1.82 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 2.29 2.22 0.00 126 E 8.71 3.99 0.00 2.02 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 2.47 2.23 0.00 *134 G 7.72 3.78 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 0.00 135 N 8.25 4.49 0.00 2.84 2.82 0.00 0.00 6.14 7.56 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 * Residues marked with a * may have inaccurate shift predictions.