NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3069 8.2033 119.5963 55.6527 30.4526 173.5324 4 L 5.0028 8.3820 123.2026 52.0599 45.4366 173.7587 5 Q 4.6734 9.5432 125.2154 54.5960 32.6634 173.7165 6 E 5.0967 8.9868 126.0826 56.4990 31.1994 175.4617 7 S 4.4745 9.2408 115.8986 58.1370 66.8494 175.0368 8 G 3.9199 9.1026 107.7528 44.9757 0.0000 173.7265 9 G 3.7065 7.4992 108.7736 44.5439 0.0000 173.2874 10 G 3.7820 6.8538 104.9414 45.6386 0.0000 170.0992 11 L 5.1721 8.1812 121.5780 53.4530 43.7307 177.0619 12 V 4.6247 8.6585 118.6987 59.4565 36.3009 175.1965 13 Q 4.7632 8.3441 120.4357 53.9098 30.3784 174.0343 14 P 4.5299 0.0000 0.0000 64.6551 31.7318 177.2254 15 G 3.9064 9.4839 111.7264 45.0536 0.0000 173.6797 16 G 4.1008 7.9182 107.6342 45.7370 0.0000 172.5202 17 S 5.2348 8.2499 112.8000 56.7684 66.3244 173.2640 18 L 4.7091 8.5087 119.3508 53.1111 46.5044 175.7820 19 R 4.6807 8.2736 120.5425 54.5477 31.8205 174.8569 20 L 4.6009 8.4291 127.3268 54.3309 43.3398 176.3155 21 S 5.4273 9.1141 115.2157 56.9769 67.3322 171.8957 22 C 5.3643 9.1482 119.7149 54.9337 45.9217 172.2189 23 A 4.9108 9.0104 128.3927 49.6191 20.3187 174.7109 24 A 5.2135 8.0149 125.9352 51.3705 20.2105 178.1949 *29 F 5.0263 8.8041 116.5806 60.5326 40.7877 177.2055 30 S 3.9615 8.1148 113.9504 60.8718 62.6935 174.9301 31 N 4.4124 8.0594 116.0493 54.5302 38.7870 174.1665 32 Y 4.7473 7.4453 116.4832 55.9688 39.6834 176.2584 33 R 4.2791 8.6532 123.0291 56.7519 31.5965 175.5927 34 M 5.5146 8.9630 120.6986 53.9024 36.3811 174.8378 35 G 4.7338 9.4370 107.0162 44.7702 0.0000 171.3872 36 W 5.4165 9.0204 120.7957 54.7321 32.3374 175.0491 37 F 5.4418 9.7634 121.7955 55.8147 43.4060 173.8830 38 R 5.0613 9.3128 115.8475 54.7536 33.2953 173.9733 39 Q 4.8722 9.4001 122.0590 54.5425 31.8125 174.2942 40 A 4.8650 8.5101 128.2332 49.7654 21.4138 174.4771 41 P 4.2583 0.0000 0.0000 64.1433 31.7588 176.8769 42 G 4.0120 8.9584 109.8359 46.1846 0.0000 173.1928 43 K 4.7071 7.6863 116.6025 53.7712 35.9232 176.4594 44 E 4.1110 8.5998 120.9521 55.9627 30.0819 176.9312 45 R 4.1480 8.5033 121.8819 57.4023 30.6837 174.9950 46 E 4.8893 9.5011 127.0562 53.9679 32.3988 174.8174 47 F 3.8174 9.2122 129.2562 58.8363 39.8871 173.4512 48 V 3.9956 7.3282 123.6156 63.5599 33.6546 174.8430 49 A 4.5932 6.2808 119.0050 51.1854 22.5204 174.3695 50 T 5.6595 9.2479 113.9236 60.7355 71.7845 172.5455 51 I 5.1643 8.8899 125.2276 59.0552 41.9492 174.7523 52 S 4.5590 8.9054 123.4749 58.1377 64.0022 175.1533 53 Q 4.0078 8.8381 119.8687 59.2741 28.4198 179.0291 54 S 4.1086 7.8776 110.0303 59.4340 63.4005 175.1741 55 G 3.8238 7.9329 108.7019 45.2524 0.0000 173.9534 56 A 4.2029 7.5418 121.4708 53.1558 19.2174 177.4686 57 A 4.9038 7.8392 118.3320 50.2135 22.1489 175.4037 58 T 5.1524 8.5787 110.8189 59.8737 72.4929 173.0398 59 A 4.8271 8.6947 122.8778 50.6051 22.8551 174.7108 60 Y 5.1676 8.6838 117.6586 55.6060 41.5343 175.6402 61 A 4.2818 8.7692 125.1312 52.1982 19.3160 178.3062 62 D 4.3532 9.1515 120.7500 57.3344 41.4700 178.7894 63 S 4.1775 8.0669 112.1766 60.2963 63.2270 174.8887 64 V 3.8002 7.6410 112.1348 60.0220 33.2792 175.5034 65 K 3.8572 7.2300 121.3194 57.7622 32.3301 176.6459 66 G 3.9927 8.8096 114.2777 44.8891 0.0000 173.9047 67 R 4.5747 8.0071 117.2871 56.2399 33.0826 175.9754 68 F 5.5957 8.0595 115.7343 56.0620 41.8113 175.6662 69 T 4.7956 8.8812 117.8272 62.0192 72.2201 172.4904 70 F 5.8442 10.1641 130.2165 56.8170 40.8890 174.8653 71 S 5.0937 9.8258 120.1328 56.7349 66.9513 172.7896 72 R 5.2069 8.5715 115.4678 54.7200 33.1458 174.4714 73 D 4.7940 9.4364 119.9674 52.5574 43.0483 175.8379 74 N 4.6873 9.0240 124.3468 56.1739 38.9900 177.7779 75 A 4.0627 8.2692 119.8914 54.3808 18.5413 177.7035 76 K 4.3173 7.9078 113.5746 55.5160 32.9989 175.4384 77 N 3.6015 7.8864 114.2209 55.1466 36.8475 173.3985 78 L 5.0259 7.6599 115.1455 52.8417 46.0977 176.5759 79 L 5.2748 8.5758 121.4953 53.2730 45.4919 175.1024 80 Y 5.4732 9.3919 118.5807 56.3279 42.4268 174.4767 81 L 4.9767 9.0559 125.1017 53.0622 44.8751 174.7365 82 E 4.3395 9.0599 129.1405 56.0262 31.1570 175.1873 83 M 4.0925 8.7955 126.7129 53.4857 34.5150 174.8069 84 L 4.7298 8.6117 123.7144 52.6938 44.2984 176.6497 85 S 3.6883 8.3470 113.9562 59.7404 60.4941 173.1877 86 L 4.4588 8.0329 119.7654 54.8410 42.6465 176.9063 87 E 5.0471 9.2407 120.4589 53.6382 33.6703 175.0995 88 P 4.5377 0.0000 0.0000 65.1294 31.3716 178.3893 89 E 4.2164 8.0765 113.2223 58.0331 29.6587 177.0016 90 D 4.7106 8.2581 119.2833 55.5662 41.3012 176.6285 91 T 4.3306 7.9960 117.4807 63.8455 68.8237 173.6205 92 A 4.4281 8.5757 126.9280 51.5000 23.8077 175.0470 93 V 4.2178 7.9763 119.9784 62.8482 32.8460 174.4049 94 Y 5.0834 9.0995 126.1086 56.6802 40.1966 174.2468 95 Y 5.3408 9.5901 121.4875 56.4467 41.6678 173.9968 96 C 4.5276 9.6598 123.8008 55.4559 44.6390 172.1158 97 A 5.1079 8.6202 124.6012 50.3405 22.9751 174.6997 98 A 5.2665 8.9499 122.0246 50.1225 22.1512 175.2960 99 S 4.9528 9.6011 117.3775 56.4597 65.0543 174.6716 100 S 4.1477 8.3442 120.0887 58.1864 63.4831 174.7262 101 R 3.8002 7.3382 121.2228 56.6795 30.2543 176.7880 102 V 3.4376 8.2284 123.2109 65.6021 31.8197 176.0054 103 F 5.0597 7.2721 116.7006 55.9400 40.4179 174.9964 104 Y 4.1938 8.6092 125.0140 57.7641 39.3957 174.8893 105 T 4.4155 7.2514 115.5313 59.5064 72.2470 174.2485 106 E 3.8104 8.4078 118.7282 58.7625 29.7372 179.3102 107 V 3.5091 7.2026 118.3323 65.5349 31.5964 177.3556 108 L 4.1400 7.5343 118.1254 56.5131 41.4172 177.3678 109 Q 2.7954 7.7678 117.6133 54.9133 28.8837 175.2084 110 T 5.0332 7.9226 108.6321 59.6250 72.1648 175.0694 111 T 3.6956 8.7269 112.7568 65.1023 68.8897 176.6104 112 T 4.0307 7.4991 118.6643 66.1582 68.4758 175.4911 113 G 3.6403 8.2439 108.8803 46.8362 0.0000 172.9198 114 Y 4.4638 7.7542 116.8959 56.3474 40.7217 174.8913 115 D 4.3982 8.7903 122.0299 55.8518 42.2444 176.5252 116 Y 4.7206 7.0422 114.7454 55.7631 41.5564 174.5955 117 W 5.3877 8.8840 120.8411 54.9602 33.2744 175.4585 118 G 4.1160 9.0923 111.3839 45.7391 0.0000 173.5246 119 Q 4.4864 8.8261 117.3134 55.8939 29.3928 177.0963 120 G 3.7322 9.1325 104.9836 44.8766 0.0000 172.7693 121 T 4.6149 8.6168 114.1698 59.8306 70.7493 172.6709 122 Q 4.4742 8.7207 130.0001 55.9099 30.7343 174.2670 123 V 4.5611 8.9664 126.7203 61.4022 34.2324 174.1677 124 T 4.9139 9.0210 124.6331 61.7368 71.6920 172.9716 125 V 4.7751 8.6953 127.6415 60.7564 33.3426 175.2734 126 S 4.3917 8.8773 123.7457 58.2154 64.3455 174.9714 127 S 4.2937 8.5059 116.2098 59.0860 62.6009 174.3262 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 Q 8.20 4.31 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 4 L 8.38 5.00 0.00 1.69 1.44 0.81 0.36 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 5 Q 9.54 4.67 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 6 E 8.99 5.10 0.00 1.97 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 2.67 2.39 0.00 7 S 9.24 4.47 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 8 G 9.10 3.92 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 0.00 0.00 0.00 9 G 7.50 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 10 G 6.85 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 11 L 8.18 5.17 0.00 1.60 1.53 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.66 4.62 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 0.65 0.00 0.00 0.88 0.00 0.00 13 Q 8.34 4.76 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00 14 P 0.00 4.53 0.00 2.03 2.19 0.00 3.67 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 2.03 2.23 0.00 15 G 9.48 3.91 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 0.00 0.00 0.00 16 G 7.92 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 17 S 8.25 5.23 0.00 3.81 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 18 L 8.51 4.71 0.00 1.26 1.29 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.27 4.68 0.00 1.68 1.76 0.00 3.18 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 20 L 8.43 4.60 0.00 0.93 1.27 0.04 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.11 5.43 0.00 3.91 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 22 C 9.15 5.36 0.00 2.75 2.85 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 23 A 9.01 4.91 1.16 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 0.00 0.00 24 A 8.01 5.21 0.48 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 *29 F 8.80 5.03 0.00 3.04 3.15 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 30 S 8.11 3.96 0.00 3.89 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 31 N 8.06 4.41 0.00 2.52 2.59 0.00 0.00 6.85 7.46 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 32 Y 7.45 4.75 0.00 2.90 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 33 R 8.65 4.28 0.00 1.79 2.01 0.00 3.11 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 34 M 8.96 5.51 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.71 0.00 35 G 9.44 4.73 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 36 W 9.02 5.42 0.00 2.91 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 37 F 9.76 5.44 0.00 3.04 3.09 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 38 R 9.31 5.06 0.00 0.93 0.89 0.00 2.41 0.00 0.00 2.85 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 39 Q 9.40 4.87 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 40 A 8.51 4.86 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 41 P 0.00 4.26 0.00 2.07 2.03 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 42 G 8.96 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 43 K 7.69 4.71 0.00 1.81 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.53 7.81 44 E 8.60 4.11 0.00 1.99 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 2.32 2.26 0.00 45 R 8.50 4.15 0.00 1.73 1.82 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.93 0.00 46 E 9.50 4.89 0.00 2.06 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 2.23 2.28 0.00 47 F 9.21 3.82 0.00 3.12 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 48 V 7.33 4.00 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 1.12 0.00 0.00 0.93 0.00 0.00 49 A 6.28 4.59 1.13 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 0.00 0.00 50 T 9.25 5.66 4.87 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 1.61 0.00 0.00 51 I 8.89 5.16 0.72 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.21 0.41 0.00 0.00 52 S 8.91 4.56 0.00 3.92 3.97 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 53 Q 8.84 4.01 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 54 S 7.88 4.11 0.00 3.96 3.97 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 55 G 7.93 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 56 A 7.54 4.20 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 57 A 7.84 4.90 1.13 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 0.00 0.00 58 T 8.58 5.15 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 1.18 0.00 0.00 59 A 8.69 4.83 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 60 Y 8.68 5.17 0.00 2.91 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 61 A 8.77 4.28 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 62 D 9.15 4.35 0.00 2.81 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 63 S 8.07 4.18 0.00 3.95 3.97 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 64 V 7.64 3.80 0.67 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 0.12 0.00 0.00 0.76 0.00 0.00 65 K 7.23 3.86 0.00 2.04 1.69 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.35 7.81 66 G 8.81 3.99 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 0.00 0.00 0.00 67 R 8.01 4.57 0.00 1.87 2.30 0.00 3.41 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 68 F 8.06 5.60 0.00 2.65 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 69 T 8.88 4.80 4.31 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 1.35 0.00 0.00 70 F 10.16 5.84 0.00 3.07 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 71 S 9.83 5.09 0.00 4.05 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 72 R 8.57 5.21 0.00 2.05 1.89 0.00 2.81 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 73 D 9.44 4.79 0.00 3.00 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 74 N 9.02 4.69 0.00 2.89 2.93 0.00 0.00 6.92 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 75 A 8.27 4.06 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 76 K 7.91 4.32 0.00 1.99 1.87 0.00 2.04 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 77 N 7.89 3.60 0.00 2.75 2.46 0.00 0.00 6.69 6.74 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 78 L 7.66 5.03 0.00 1.43 0.92 1.01 0.30 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 79 L 8.58 5.27 0.00 1.76 2.02 1.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 9.39 5.47 0.00 2.98 2.85 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 81 L 9.06 4.98 0.00 0.67 0.52 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.06 4.34 0.00 2.05 1.77 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 2.21 2.20 0.00 83 M 8.80 4.09 0.00 1.00 1.35 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 0.00 84 L 8.61 4.73 0.00 1.63 1.57 0.90 0.75 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 85 S 8.35 3.69 0.00 4.00 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 86 L 8.03 4.46 0.00 1.78 1.60 0.79 1.09 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 87 E 9.24 5.05 0.00 1.94 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 2.22 2.39 0.00 88 P 0.00 4.54 0.00 2.18 2.14 0.00 3.88 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 2.13 2.25 0.00 89 E 8.08 4.22 0.00 2.09 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 2.29 2.35 0.00 90 D 8.26 4.71 0.00 2.91 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 91 T 8.00 4.33 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 1.29 0.00 0.00 92 A 8.58 4.43 1.12 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 93 V 7.98 4.22 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 0.46 0.00 0.00 0.99 0.00 0.00 94 Y 9.10 5.08 0.00 2.93 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 95 Y 9.59 5.34 0.00 3.00 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 96 C 9.66 4.53 0.00 1.26 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 0.00 0.00 0.00 0.00 97 A 8.62 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.95 5.27 0.94 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 99 S 9.60 4.95 0.00 2.86 3.41 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 0.00 100 S 8.34 4.15 0.00 3.62 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 0.00 101 R 7.34 3.80 0.00 1.71 1.81 0.00 3.22 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 102 V 8.23 3.44 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 0.18 0.00 0.00 0.64 0.00 0.00 103 F 7.27 5.06 0.00 3.09 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 0.00 104 Y 8.61 4.19 0.00 2.97 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 0.00 105 T 7.25 4.42 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 1.17 0.00 0.00 106 E 8.41 3.81 0.00 2.10 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 2.28 2.23 0.00 107 V 7.20 3.51 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 0.91 0.00 0.00 0.86 0.00 0.00 108 L 7.53 4.14 0.00 1.58 1.80 0.89 0.40 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 0.00 109 Q 7.77 2.80 0.00 1.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 1.42 1.99 0.00 110 T 7.92 5.03 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 1.23 0.00 0.00 111 T 8.73 3.70 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 0.97 0.00 0.00 112 T 7.50 4.03 4.29 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 1.24 0.00 0.00 113 G 8.24 3.64 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 0.00 0.00 0.00 114 Y 7.75 4.46 0.00 2.83 2.41 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 0.00 115 D 8.79 4.40 0.00 2.52 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 0.00 0.00 0.00 0.00 116 Y 7.04 4.72 0.00 2.58 2.65 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 0.00 0.00 0.00 0.00 117 W 8.88 5.39 0.00 3.23 2.90 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 0.00 118 G 9.09 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 0.00 119 Q 8.83 4.49 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 120 G 9.13 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 0.00 121 T 8.62 4.61 4.29 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 1.32 0.00 0.00 122 Q 8.72 4.47 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 123 V 8.97 4.56 2.27 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 0.78 0.00 0.00 0.47 0.00 0.00 124 T 9.02 4.91 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 1.22 0.00 0.00 125 V 8.70 4.78 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 1.06 0.00 0.00 0.94 0.00 0.00 126 S 8.88 4.39 0.00 3.93 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 0.00 127 S 8.51 4.29 0.00 3.89 3.83 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 * Residues marked with a * may have inaccurate shift predictions.