NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.1920 8.3033 118.7979 55.1918 31.3790 176.3475 10 N 4.3415 8.3458 114.6771 53.5518 36.1351 172.7206 11 A 4.1877 7.6931 123.4756 51.4039 20.0307 177.9189 12 A 4.1938 8.2850 123.5716 51.3396 19.1546 176.1604 13 P 4.4433 0.0000 0.0000 61.8283 32.3487 176.2801 14 A 4.1192 8.4068 123.2521 52.6887 18.7916 177.2611 15 Q 4.5010 8.3389 120.5163 53.6299 32.8407 175.0159 16 A 4.2080 8.5169 124.4915 51.3052 19.3441 176.0592 17 P 4.3762 0.0000 0.0000 62.8442 33.1590 178.3078 18 V 3.6574 8.4348 121.5928 65.0930 31.2184 178.5923 19 S 4.1964 8.1281 113.2140 61.3630 62.2999 175.7539 20 D 4.5083 8.1551 121.1224 57.3803 40.6416 178.8409 21 R 3.9576 8.1512 118.4401 59.2005 30.1131 178.9913 22 A 3.9284 8.4248 120.9934 55.0332 18.3340 179.8111 23 W 4.2783 8.4452 117.2601 59.5494 28.9870 178.7060 24 A 4.1528 8.3785 121.2278 54.9636 17.9270 179.4034 25 L 3.8987 8.1416 118.8913 58.1556 42.2108 178.7343 26 F 4.1039 8.2466 120.5737 61.7483 39.2651 177.4486 27 R 3.9860 8.8280 117.6646 58.8917 29.5985 178.8970 28 A 3.9682 8.1558 120.3921 55.1857 18.7526 179.4821 29 L 3.9997 7.6723 116.9852 57.9605 41.7800 179.1213 30 D 4.2173 8.1450 118.4856 57.1713 40.8492 178.1923 31 G 3.7536 8.1557 104.3875 46.1497 0.0000 174.5655 32 K 4.4929 7.5962 119.1742 55.5530 32.5824 176.9002 33 G 3.8755 7.8683 107.3309 45.9665 0.0000 174.6057 34 L 4.2044 7.6763 117.8891 54.5259 42.2942 176.5067 35 V 4.0815 7.2527 118.3599 59.9199 32.9183 173.3153 36 P 4.4457 0.0000 0.0000 62.1424 31.9240 175.7365 37 D 4.5986 8.6415 120.1903 56.2954 41.1628 177.5892 38 G 4.1592 9.1385 110.4102 46.2880 0.0000 174.7110 39 Y 3.9656 8.3032 121.5921 60.9492 38.7889 178.4205 40 V 3.9544 8.1634 112.7147 64.2012 31.6342 178.3261 41 E 4.0756 8.3280 118.4427 59.2135 29.3435 179.3492 42 G 3.3615 8.2399 105.9789 47.5055 0.0000 175.8841 43 W 3.4858 7.7609 121.5244 58.9583 28.9849 178.4396 44 K 4.0119 8.2623 119.8911 59.4913 31.5302 178.7369 45 K 3.8690 7.9084 119.7846 59.6203 32.1202 178.8036 46 T 3.6535 7.5423 115.9906 66.7449 68.0801 176.5803 47 F 4.2582 7.6718 118.3894 60.4516 38.9295 177.1788 48 E 4.2192 8.1939 117.2866 58.2670 29.5882 177.8641 49 E 4.5099 8.3930 116.8530 56.5196 31.3770 176.8415 50 D 4.5515 7.6852 116.9335 56.0429 41.9512 176.9077 51 F 4.7807 7.9025 118.8648 57.7653 39.0457 174.9264 52 S 4.6371 8.4314 119.8389 55.2120 65.5550 173.2771 53 P 4.6508 0.0000 0.0000 65.0189 31.1586 178.7560 54 R 3.8820 8.0973 118.6237 59.0099 29.8413 179.0997 55 R 3.7888 7.8916 118.4170 59.1937 30.0017 179.1785 56 G 3.5820 7.9838 105.2803 47.7240 0.0000 175.4733 57 A 3.8549 8.2165 123.2180 54.8244 18.3554 179.3234 58 E 3.7984 8.0903 117.8475 59.3969 29.6838 179.0968 59 L 3.7176 7.7256 119.0162 57.5690 41.5872 179.6986 60 V 3.1889 7.7687 118.0471 65.8413 31.2676 177.9656 61 A 3.9841 7.8616 120.6868 54.9360 18.2706 179.6173 62 R 3.9039 7.9630 117.0165 59.6284 29.9607 178.6151 63 A 4.3161 7.9984 119.2022 55.2018 18.4565 179.4023 64 W 4.6186 8.5595 117.1832 59.1645 29.1978 177.7185 65 T 4.8552 7.6049 106.9124 60.7514 69.6473 174.2435 66 D 4.6816 8.1748 121.1552 51.0591 42.3592 173.4683 67 P 4.3168 0.0000 0.0000 65.2685 31.3922 177.8773 68 E 3.9778 8.2955 117.8351 59.2216 29.6705 178.5103 69 F 4.1272 8.8049 120.8521 60.9827 39.4599 176.9318 70 R 3.8734 8.4473 118.8074 59.6803 29.7470 178.2123 71 Q 3.9385 8.1851 119.1123 58.9933 29.0016 178.0257 72 L 3.8074 7.7607 121.3261 58.0912 41.9423 178.5661 73 L 3.7012 7.6086 119.1238 57.9654 41.9754 178.3506 74 L 4.2491 7.7669 116.9774 56.0075 41.8955 177.9722 75 T 4.5442 7.3017 108.6805 61.6717 71.6606 174.3436 76 D 4.5753 8.5270 121.0294 51.1120 41.7905 175.3086 77 G 3.5182 8.0155 110.3550 47.4088 0.0000 172.3937 78 T 3.7302 7.5820 117.2366 66.5214 68.4555 176.3307 79 A 3.9334 8.0478 122.0204 54.8925 18.1364 179.5586 80 A 3.9157 7.6029 118.4388 55.4130 18.7854 179.7708 81 V 3.7669 8.1135 116.8354 66.0836 31.5870 178.0662 82 A 4.0712 8.4297 120.8674 55.1969 17.9281 179.5757 83 Q 3.9519 7.8092 115.5157 58.7936 28.8353 177.6565 84 Y 3.9469 7.8168 115.5387 57.1391 38.2032 176.0977 85 G 3.8560 7.7690 107.8720 46.8120 0.0000 173.6585 86 Y 5.0259 7.8272 113.9367 57.3967 38.2325 176.1677 87 L 4.3311 8.0191 119.9140 54.9501 42.5275 176.4861 88 G 4.0496 8.1641 108.0961 44.7899 0.0000 170.8220 89 P 4.4430 0.0000 0.0000 64.4048 31.8723 176.3867 90 Q 3.2005 8.6852 119.9504 56.3770 26.5543 174.5870 91 G 4.2850 7.6169 101.7103 44.4482 0.0000 175.9684 92 E 4.0949 8.3489 119.7327 57.0443 31.0080 175.8094 93 Y 4.4181 7.7590 120.5419 55.9602 40.5637 174.1945 94 I 4.7882 8.0252 127.9474 59.3754 39.5154 175.6223 95 V 4.3152 8.3207 125.9259 60.9611 34.1409 173.9129 96 A 5.1188 8.5937 129.5190 50.7550 20.6581 176.3157 97 V 4.3373 8.4856 115.0882 59.3834 34.7331 174.3882 98 E 4.8411 8.7464 126.5784 55.1240 30.0111 175.5606 99 D 4.9596 8.9620 127.4740 54.8167 42.5997 175.3754 100 T 4.6975 8.7666 110.6998 59.5598 72.5913 172.9191 101 P 4.3920 0.0000 0.0000 64.9789 31.5733 177.3748 102 T 4.7006 8.0252 107.8233 60.7767 70.4381 173.1828 103 L 5.0665 8.2747 124.3707 54.2020 46.0648 174.0209 104 K 4.9891 9.4469 128.1102 54.8099 34.3326 174.3947 105 N 5.5828 9.6288 125.3154 52.1693 41.1801 174.3170 106 V 4.8323 8.8239 120.8264 61.5667 35.5077 173.7673 107 I 5.3013 8.7794 127.5902 59.8602 39.8435 175.1158 108 V 4.4689 8.8132 123.6526 60.7845 34.2189 173.2984 109 C 5.2232 7.8643 121.3005 57.2938 32.1434 174.4276 110 S 4.3508 9.5745 121.7223 60.5397 62.9641 176.2176 111 L 4.0127 7.2399 119.6278 56.4203 41.8878 176.8600 *113 A 4.1865 7.5973 119.2701 52.1653 19.5811 175.7594 *115 T 4.1155 8.1183 115.4296 63.3200 69.9155 175.4731 116 A 4.8552 7.9725 127.0458 50.4729 16.6775 177.8422 117 W 4.6015 8.2483 122.8889 59.0804 29.6951 177.4081 118 P 3.8986 0.0000 0.0000 64.2195 31.1239 177.7001 119 I 4.2610 7.6435 109.4572 60.4101 39.0870 176.5007 120 L 4.3697 8.0994 119.5726 53.6674 42.9519 177.5301 121 G 4.1320 8.0074 103.7218 44.7066 0.0000 173.4165 122 L 3.6963 8.0775 118.9742 53.6859 42.0954 175.9531 123 P 4.0472 0.0000 0.0000 61.8684 32.1908 174.5192 124 P 4.4297 0.0000 0.0000 62.1858 32.5856 177.0788 125 T 3.8140 8.5996 116.1555 66.8625 68.3654 176.6281 126 W 4.2679 8.0526 117.8089 59.7903 27.9071 177.5668 127 Y 3.2363 6.5153 119.2757 59.4736 38.1654 176.9083 128 K 4.3164 7.5131 117.3313 55.9475 33.0374 177.3578 129 S 4.2860 7.3065 114.9898 57.7757 63.8906 175.4508 130 F 4.5461 8.4539 120.9506 60.8112 38.5927 177.8154 131 E 4.0475 8.3195 117.9134 59.6853 29.4030 178.6562 132 Y 4.1999 8.2333 119.4663 60.8396 38.7037 177.9406 133 R 3.7963 8.1347 117.7436 59.1218 30.2127 178.6485 134 A 4.1080 8.1631 119.8712 54.8607 18.8101 179.2305 135 R 4.2072 7.9466 116.2265 58.2849 30.5259 179.5051 136 V 3.7085 7.4161 117.3845 64.2461 31.5904 177.7470 137 V 3.5983 7.5980 119.5646 65.0257 31.6753 176.3999 138 R 4.2705 7.8693 118.5281 57.2631 31.4824 175.9804 139 E 4.7612 8.4631 114.9759 53.5427 29.3951 174.5771 140 P 4.2420 0.0000 0.0000 66.4656 31.8936 178.5594 141 R 3.8604 7.8909 118.2085 59.1056 30.0354 178.2550 142 K 3.9432 7.9555 119.0593 59.3283 32.2880 178.7871 143 V 3.6058 7.9739 118.6103 66.0863 31.4366 177.9992 144 L 3.9960 8.2217 118.9705 57.7207 41.4603 179.3393 145 S 4.3565 8.1068 114.3888 61.0730 62.1445 176.2227 146 E 4.0168 8.2944 119.8980 59.5001 29.2447 178.7333 147 M 4.2114 7.7140 117.0937 55.5568 32.2067 176.9465 148 G 4.0540 7.4872 106.9405 45.3547 0.0000 173.6640 149 T 4.4393 8.5863 117.5659 61.4822 70.2986 172.9415 150 E 4.2655 8.7355 126.8079 55.1527 30.4358 175.9434 151 I 4.3473 8.1334 124.4739 58.9709 39.2195 175.5335 152 A 4.1995 8.4111 128.8110 51.7151 18.8745 178.1444 153 S 4.1614 8.6593 115.0869 61.3183 62.8696 175.2166 154 D 4.6016 8.0600 118.3991 54.8707 40.7701 175.4406 155 I 4.6546 7.5014 121.1458 59.0131 39.4555 175.2425 156 E 4.0893 8.9570 129.0033 56.4047 30.6522 175.3937 157 I 4.8669 8.3088 127.5291 60.0819 39.1249 174.9589 158 R 4.4535 9.0343 126.9748 54.5182 32.7752 173.9558 159 V 4.7638 8.3217 126.5354 61.7021 33.2686 174.2881 160 Y 4.2067 9.1080 126.6114 56.6262 39.3275 174.0601 161 D 5.0554 8.5838 125.0320 53.4684 42.2938 177.1113 162 T 4.7426 9.0663 125.5694 62.9360 66.4174 174.6800 163 T 4.4677 8.3411 112.0508 61.5141 71.2062 175.5864 164 A 4.5895 7.3377 127.2468 52.1264 18.8414 177.6744 165 E 4.3900 8.6807 116.8836 58.6943 30.5183 176.3206 166 T 4.1859 7.6853 116.0240 63.8448 69.3399 173.6927 167 R 4.4909 8.8136 124.6645 54.5720 33.0658 174.4581 168 Y 5.9534 8.9070 121.0151 55.8559 40.7439 174.9270 169 M 4.9091 8.2945 117.7777 53.5880 35.1789 174.0621 170 V 4.2731 8.5829 121.5978 62.3085 33.0729 175.5732 171 L 4.4101 8.8902 130.9803 53.2211 42.1825 174.0891 172 P 5.2383 0.0000 0.0000 61.3108 32.5413 176.3557 173 Q 4.2942 8.6203 120.1231 55.9785 29.5521 176.2938 174 R 2.7513 8.0457 123.1706 54.4543 30.7857 174.6050 175 P 4.2390 0.0000 0.0000 61.7584 32.3405 175.7193 176 A 3.9559 7.9841 122.7981 53.6102 18.7223 178.2252 177 G 3.8706 8.8195 108.8345 45.4487 0.0000 174.3399 178 T 2.4800 6.7089 108.1200 60.2500 68.8861 173.8982 179 E 4.0588 7.6704 121.9697 58.1684 29.7005 177.5627 180 G 4.0513 8.9459 110.9979 45.2371 0.0000 173.7880 181 W 4.6008 8.0741 119.7308 56.6311 29.7769 176.7609 182 S 4.5541 9.2690 117.0239 58.0081 64.6931 175.4496 183 Q 4.0958 8.6821 121.3567 59.2719 27.9015 178.9264 184 E 3.9791 8.1902 119.6892 59.4395 29.5388 178.7265 185 Q 3.9652 7.9549 116.9624 58.9421 29.1465 178.5226 186 L 4.6753 8.5513 120.1821 58.1345 41.7616 179.3884 187 Q 4.0626 8.6941 118.4426 59.2494 28.3970 179.0542 188 E 4.1180 7.9505 118.1028 58.6376 29.5727 178.3330 189 I 4.5356 7.6931 110.1992 60.1493 38.3357 175.8307 190 V 4.0455 7.4907 121.8865 62.2116 31.0570 175.8044 191 T 4.5010 8.0224 118.4323 59.7893 72.0929 174.9990 192 K 3.8074 8.5572 121.3913 60.2400 32.0060 178.2293 193 D 4.6301 8.1605 118.0559 57.3441 40.5541 178.3726 194 C 4.7966 7.5837 118.2803 62.2963 28.3034 175.7089 195 L 4.1677 7.9986 120.6361 57.7484 41.1827 179.5636 196 I 3.9013 8.0079 120.1124 63.4103 36.9073 177.5112 197 G 4.3285 7.9968 104.4842 46.2051 0.0000 174.7027 198 V 3.9826 7.9425 111.5921 61.9734 32.4348 175.6629 199 A 4.8956 7.6520 121.6169 49.0838 21.9775 174.5712 200 I 4.6876 7.9928 120.2161 58.5550 39.1986 174.4474 201 P 4.4088 0.0000 0.0000 63.1110 31.7659 175.6281 202 Q 4.6324 8.6034 121.1417 54.0263 30.8609 175.0100 203 V 4.4239 8.1103 121.5163 60.1640 33.1388 173.4935 204 P 4.3108 0.0000 0.0000 63.5310 31.8885 176.2613 205 T 4.1756 8.4280 116.6474 63.9724 68.4925 174.7729 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 9 E 8.30 4.19 0.00 2.17 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 2.26 2.40 0.00 10 N 8.35 4.34 0.00 2.99 2.99 0.00 0.00 7.00 6.46 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 11 A 7.69 4.19 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 12 A 8.28 4.19 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 13 P 0.00 4.44 0.00 2.20 2.07 0.00 3.79 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 2.00 1.97 0.00 14 A 8.41 4.12 1.27 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 0.00 0.00 15 Q 8.34 4.50 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 16 A 8.52 4.21 1.27 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 0.00 0.00 17 P 0.00 4.38 0.00 2.33 2.03 0.00 3.77 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 2.14 2.18 0.00 18 V 8.43 3.66 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 0.96 0.00 0.00 0.92 0.00 0.00 19 S 8.13 4.20 0.00 4.02 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 20 D 8.16 4.51 0.00 2.99 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 21 R 8.15 3.96 0.00 2.02 1.99 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 1.68 1.68 0.00 22 A 8.42 3.93 1.10 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 23 W 8.45 4.28 0.00 3.59 3.31 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 24 A 8.38 4.15 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 25 L 8.14 3.90 0.00 1.80 1.90 0.93 0.68 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 26 F 8.25 4.10 0.00 3.16 3.44 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 0.00 27 R 8.83 3.99 0.00 2.00 2.04 0.00 3.30 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 28 A 8.16 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 29 L 7.67 4.00 0.00 1.73 1.62 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.14 4.22 0.00 1.58 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 31 G 8.16 3.75 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 0.00 0.00 0.00 32 K 7.60 4.49 0.00 1.85 1.80 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.50 7.81 33 G 7.87 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 0.00 0.00 0.00 34 L 7.68 4.20 0.00 1.69 1.65 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.25 4.08 2.14 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 1.02 0.00 0.00 0.83 0.00 0.00 36 P 0.00 4.45 0.00 2.36 2.00 0.00 3.12 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 37 D 8.64 4.60 0.00 2.69 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 38 G 9.14 4.16 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 0.00 39 Y 8.30 3.97 0.00 3.34 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 40 V 8.16 3.95 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 1.20 0.00 0.00 0.97 0.00 0.00 41 E 8.33 4.08 0.00 2.23 1.99 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 2.43 2.47 0.00 42 G 8.24 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 43 W 7.76 3.49 0.00 3.27 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.01 0.00 1.93 1.99 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 45 K 7.91 3.87 0.00 1.79 1.78 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.51 7.81 46 T 7.54 3.65 3.68 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 0.17 0.00 0.00 47 F 7.67 4.26 0.00 3.03 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 48 E 8.19 4.22 0.00 1.99 1.99 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 2.33 2.50 0.00 49 E 8.39 4.51 0.00 1.95 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 0.00 2.21 2.26 0.00 50 D 7.69 4.55 0.00 2.61 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 51 F 7.90 4.78 0.00 3.02 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 52 S 8.43 4.64 0.00 3.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.65 0.00 2.29 2.40 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 54 R 8.10 3.88 0.00 1.80 2.00 0.00 3.28 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 55 R 7.89 3.79 0.00 1.72 1.37 0.00 3.03 0.00 0.00 2.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 56 G 7.98 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.22 3.85 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 58 E 8.09 3.80 0.00 2.19 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 0.00 2.20 2.40 0.00 59 L 7.73 3.72 0.00 1.83 1.70 0.95 0.43 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 60 V 7.77 3.19 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 -0.40 0.00 0.00 0.75 0.00 0.00 61 A 7.86 3.98 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 62 R 7.96 3.90 0.00 1.83 1.80 0.00 3.04 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 63 A 8.00 4.32 1.46 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 0.00 0.00 64 W 8.56 4.62 0.00 3.51 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 65 T 7.60 4.86 4.33 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 1.40 0.00 0.00 66 D 8.17 4.68 0.00 2.78 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 P 0.00 4.32 0.00 2.24 2.13 0.00 3.71 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 2.16 2.20 0.00 68 E 8.30 3.98 0.00 2.08 2.23 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 2.43 2.40 0.00 69 F 8.80 4.13 0.00 3.25 3.23 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 0.00 70 R 8.45 3.87 0.00 2.26 2.16 0.00 3.28 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 1.67 1.73 0.00 71 Q 8.19 3.94 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 72 L 7.76 3.81 0.00 1.69 1.42 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.61 3.70 0.00 1.07 1.63 0.82 1.01 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 74 L 7.77 4.25 0.00 1.64 1.69 0.94 0.77 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 75 T 7.30 4.54 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 1.26 0.00 0.00 76 D 8.53 4.58 0.00 2.51 2.42 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 77 G 8.02 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.73 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 1.23 0.00 0.00 79 A 8.05 3.93 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 80 A 7.60 3.92 0.95 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 0.00 0.00 81 V 8.11 3.77 2.14 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 1.10 0.00 0.00 1.01 0.00 0.00 82 A 8.43 4.07 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 83 Q 7.81 3.95 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 84 Y 7.82 3.95 0.00 2.57 1.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 3.86 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 0.00 0.00 0.00 86 Y 7.83 5.03 0.00 2.98 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 87 L 8.02 4.33 0.00 1.69 1.64 0.93 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.12 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 1.20 0.00 0.00 116 A 7.97 4.86 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 0.00 117 W 8.25 4.60 0.00 3.16 2.79 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 0.00 118 P 0.00 3.90 0.00 2.25 1.97 0.00 3.40 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.59 0.00 119 I 7.64 4.26 1.84 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 1.38 0.84 0.95 0.00 0.00 120 L 8.10 4.37 0.00 1.75 1.65 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.01 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 0.00 0.00 0.00 122 L 8.08 3.70 0.00 1.36 1.20 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.05 0.00 2.06 1.63 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.24 0.00 124 P 0.00 4.43 0.00 2.03 2.10 0.00 3.06 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 0.68 1.56 0.00 125 T 8.60 3.81 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 1.20 0.00 0.00 126 W 8.05 4.27 0.00 3.53 3.32 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 0.00 127 Y 6.52 3.24 0.00 1.43 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 0.00 128 K 7.51 4.32 0.00 1.82 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.56 1.62 7.81 129 S 7.31 4.29 0.00 4.24 4.05 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 0.00 130 F 8.45 4.55 0.00 3.02 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 0.00 131 E 8.32 4.05 0.00 2.19 2.11 0.00 0.00 0.00 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 2.51 0.00 132 Y 8.23 4.20 0.00 3.32 3.06 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 0.00 133 R 8.13 3.80 0.00 1.98 2.13 0.00 3.28 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 134 A 8.16 4.11 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 0.00 135 R 7.95 4.21 0.00 2.02 1.97 0.00 3.17 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 136 V 7.42 3.71 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 -0.11 0.00 0.00 0.90 0.00 0.00 137 V 7.60 3.60 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 0.72 0.00 0.00 0.82 0.00 0.00 138 R 7.87 4.27 0.00 1.76 1.89 0.00 3.21 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 139 E 8.46 4.76 0.00 2.07 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 2.23 2.21 0.00 140 P 0.00 4.24 0.00 2.30 2.49 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 141 R 7.89 3.86 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 142 K 7.96 3.94 0.00 1.86 1.92 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.50 7.81 143 V 7.97 3.61 2.13 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 1.15 0.00 0.00 0.98 0.00 0.00 144 L 8.22 4.00 0.00 1.93 1.92 1.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.11 4.36 0.00 3.94 4.02 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 0.00 146 E 8.29 4.02 0.00 2.10 1.99 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 2.35 2.51 0.00 147 M 7.71 4.21 0.00 1.79 2.15 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.36 0.00 148 G 7.49 4.05 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 0.00 0.00 0.00 149 T 8.59 4.44 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 0.00 150 E 8.74 4.27 0.00 1.95 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 2.27 2.26 0.00 151 I 8.13 4.35 1.88 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 1.37 0.89 0.93 0.00 0.00 152 A 8.41 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 0.00 153 S 8.66 4.16 0.00 3.98 4.04 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 0.00 154 D 8.06 4.60 0.00 2.69 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 0.00 155 I 7.50 4.65 1.99 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 1.28 0.60 0.97 0.00 0.00 156 E 8.96 4.09 0.00 2.07 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 2.30 2.28 0.00 157 I 8.31 4.87 1.87 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 1.25 0.72 0.93 0.00 0.00 158 R 9.03 4.45 0.00 1.80 1.92 0.00 3.27 0.00 0.00 2.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.27 0.00 159 V 8.32 4.76 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 0.80 0.00 0.00 0.90 0.00 0.00 160 Y 9.11 4.21 0.00 2.54 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 0.00 0.00 0.00 161 D 8.58 5.06 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 9.07 4.74 4.40 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 1.33 0.00 0.00 163 T 8.34 4.47 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 1.28 0.00 0.00 164 A 7.34 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.68 4.39 0.00 1.80 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 2.15 2.16 0.00 166 T 7.69 4.19 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 0.52 0.00 0.00 167 R 8.81 4.49 0.00 1.55 1.68 0.00 3.24 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 168 Y 8.91 5.95 0.00 2.84 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 0.00 169 M 8.29 4.91 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 170 V 8.58 4.27 2.38 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 0.78 0.00 0.00 1.07 0.00 0.00 171 L 8.89 4.41 0.00 1.77 1.59 0.78 0.83 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 0.00 172 P 0.00 5.24 0.00 2.29 2.11 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 173 Q 8.62 4.29 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 174 R 8.05 2.75 0.00 0.67 1.10 0.00 2.52 0.00 0.00 2.81 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 175 P 0.00 4.24 0.00 2.06 2.02 0.00 3.02 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 176 A 7.98 3.96 1.15 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 0.00 0.00 177 G 8.82 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 0.00 178 T 6.71 2.48 3.01 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 -0.16 0.00 0.00 179 E 7.67 4.06 0.00 1.92 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 2.26 0.00 180 G 8.95 4.05 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 0.00 0.00 0.00 181 W 8.07 4.60 0.00 3.39 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 0.00 182 S 9.27 4.55 0.00 4.06 4.02 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 0.00 183 Q 8.68 4.10 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 184 E 8.19 3.98 0.00 2.05 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 2.37 2.41 0.00 185 Q 7.95 3.97 0.00 2.28 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 1.99 2.25 0.00 186 L 8.55 4.68 0.00 2.11 2.23 1.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.69 4.06 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 188 E 7.95 4.12 0.00 2.26 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 2.37 2.52 0.00 189 I 7.69 4.54 2.18 0.00 0.00 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 1.93 0.89 1.30 0.00 0.00 190 V 7.49 4.05 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 0.70 0.00 0.00 0.79 0.00 0.00 191 T 8.02 4.50 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 1.26 0.00 0.00 192 K 8.56 3.81 0.00 1.86 1.93 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.71 7.81 193 D 8.16 4.63 0.00 2.81 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 0.00 194 C 7.58 4.80 0.00 3.12 3.06 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 0.00 195 L 8.00 4.17 0.00 1.88 1.70 0.95 0.75 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 0.00 196 I 8.01 3.90 2.11 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 1.36 0.86 1.29 0.00 0.00 197 G 8.00 4.33 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 0.00 198 V 7.94 3.98 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 1.01 0.00 0.00 0.98 0.00 0.00 199 A 7.65 4.90 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 0.00 200 I 7.99 4.69 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.94 0.00 0.00 201 P 0.00 4.41 0.00 2.19 2.38 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 202 Q 8.60 4.63 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 203 V 8.11 4.42 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 0.90 0.00 0.00 0.76 0.00 0.00 204 P 0.00 4.31 0.00 2.18 2.07 0.00 4.05 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 205 T 8.43 4.18 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.