NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3507 8.1849 120.6394 55.0141 43.9632 177.9894 5 T 3.9101 7.5286 115.0485 62.8006 70.3813 172.0208 6 E 4.0145 8.9629 123.5891 59.6539 30.0515 179.1566 7 E 3.9310 8.0977 118.8168 59.4198 29.7952 178.7733 8 Q 4.2972 7.7312 118.9218 58.4310 28.6993 178.6519 9 I 4.0273 7.9123 120.7842 64.2221 37.1601 178.2428 10 A 4.0594 8.1625 121.7356 55.3512 18.3443 179.6059 11 E 4.0076 8.0736 116.5948 59.5330 29.4850 179.5799 12 F 5.0444 8.4813 118.0186 60.4485 39.0397 177.7752 13 K 3.8186 8.9929 120.0093 59.1557 31.6677 178.5755 14 E 3.9488 8.1502 118.9208 59.2226 29.7986 178.3196 15 A 4.3348 8.2695 120.5706 55.1269 18.5378 179.1749 16 F 3.3259 8.5871 119.1826 61.6056 39.5803 177.3625 17 S 4.0315 8.1860 114.5639 61.7451 62.3681 176.6176 18 L 3.9407 7.4732 122.0878 57.9644 41.7826 178.7230 19 F 4.2535 7.7855 117.1504 59.1634 40.5122 176.4539 20 D 4.4480 6.9891 118.4240 52.5305 38.2371 176.5443 21 K 3.8988 8.0494 122.6351 58.5387 32.6967 177.7271 22 D 4.5737 8.0767 115.4870 52.4602 39.6145 176.6441 23 G 3.9036 7.8316 107.3621 46.9467 0.0000 174.2879 24 D 4.5372 8.5823 116.8059 52.8761 40.1995 177.1385 25 G 4.1620 9.5582 109.7666 45.6412 0.0000 172.8754 26 T 5.2758 8.2443 108.2518 59.8953 72.4944 173.2967 27 I 4.6920 8.7920 124.3366 59.9306 39.5100 175.7362 28 T 4.6333 8.7201 118.1330 60.7505 70.7165 176.0510 29 T 3.8541 8.7040 112.7684 65.1629 68.3469 175.9412 30 K 3.8349 8.1789 120.9221 59.4541 32.1155 178.6721 31 E 3.9425 8.0880 117.9735 59.3151 29.4090 179.1323 32 L 4.2603 8.0745 120.4491 58.2831 42.0656 179.1346 33 G 3.7345 8.1966 105.5531 48.2449 0.0000 175.5957 34 T 3.8588 8.0940 118.2987 66.4621 68.2864 176.9200 35 V 3.5314 7.6507 118.6586 66.1546 31.7961 177.7123 36 M 4.2609 8.1682 118.5788 58.2011 31.7716 178.8477 37 R 4.6582 8.1904 119.8620 59.0613 30.1881 179.1675 38 S 4.2286 7.7849 112.6814 60.5655 62.8849 175.7000 39 L 4.6403 7.5310 120.6890 53.3519 42.7406 176.3592 40 G 3.9418 8.4944 105.8515 46.8429 0.0000 174.4507 41 Q 4.6038 7.5931 115.6658 54.0084 33.0925 174.5626 42 N 5.3608 8.4091 119.5423 50.9368 38.8545 171.7013 43 P 4.6757 0.0000 0.0000 61.6719 33.1662 177.8295 44 T 4.2221 9.2821 111.6001 61.2560 71.1081 175.4021 45 E 3.9527 8.7492 121.3874 59.2577 29.5191 178.7499 46 A 4.0973 7.8998 120.4664 54.8020 18.7747 179.2073 47 E 3.9471 8.3028 117.1853 59.3871 29.4461 179.5792 48 L 3.9455 7.8455 118.7079 57.8627 41.7845 178.9998 49 Q 3.9555 7.8968 119.1671 59.6212 28.9070 178.4226 50 D 4.3782 8.1787 119.4850 57.7925 40.6297 178.8956 51 M 4.0802 7.7897 117.9981 58.3249 32.3182 178.6314 52 I 3.8625 7.9827 120.0992 64.5161 36.7910 178.1228 53 N 4.3213 8.7406 117.6390 56.4657 38.1354 177.0661 54 E 3.9894 8.2534 119.6238 58.4032 29.7699 178.0331 55 V 4.1744 7.3563 116.1427 62.7504 33.7499 176.4252 56 D 4.6221 7.5175 118.2095 52.7771 38.3306 175.7796 57 A 3.9802 8.1006 126.2494 54.6372 18.9191 178.7629 58 D 4.4519 8.5002 112.7522 53.3267 39.9726 177.1045 59 G 3.9353 8.0258 108.0282 46.6051 0.0000 174.2402 60 N 4.5070 8.4642 115.6428 52.8823 37.6933 175.9194 61 G 4.0490 9.1362 108.1577 45.2036 0.0000 173.0271 62 T 4.8664 7.5583 108.0010 59.8893 72.5987 172.8698 63 I 5.3254 8.7328 121.8500 58.7070 40.1630 174.7648 64 D 5.4433 8.7843 128.5660 51.3086 42.0385 177.2597 65 F 3.5777 8.5522 119.6182 60.8165 39.2047 174.7748 66 P 3.9464 0.0000 0.0000 65.8625 31.1404 178.4068 67 E 3.9503 8.8947 117.5282 59.2573 29.2810 179.2097 68 F 4.0986 8.4733 121.1007 61.0577 39.3762 177.2716 69 L 3.5538 8.3428 119.2593 57.8028 41.2688 179.4129 70 T 3.7025 7.5472 115.6020 66.9313 68.3519 176.2828 71 M 3.8481 7.6447 119.7931 58.7713 32.2018 177.9559 72 M 3.5697 7.5351 118.2362 58.2068 31.9962 178.0905 73 A 3.9830 7.8019 121.2138 54.7419 18.4311 179.7420 74 R 3.7885 7.6567 117.1265 59.5582 30.2791 178.5608 75 K 3.8229 8.1856 119.8273 59.7635 32.0594 178.3563 76 M 4.1037 8.2183 118.5941 58.4773 32.0284 178.4103 77 K 4.0737 7.8635 118.6709 59.3555 32.0723 179.1796 78 D 4.3754 8.3100 119.4750 57.6022 40.7026 178.9354 79 T 3.9020 8.0799 116.2888 66.7276 68.3291 176.4698 80 D 4.3794 8.1762 120.8605 57.4121 40.8098 179.0258 81 S 4.0905 7.7780 113.5788 61.4050 62.5199 175.7025 82 E 4.0863 8.5247 122.4004 59.5561 29.4762 178.6939 83 E 4.0801 8.5496 118.6182 59.0726 29.5434 179.1947 84 E 4.0901 8.0762 118.9677 59.4560 29.7920 179.2818 85 I 4.0413 7.9963 119.9072 64.4035 37.1672 178.7928 86 R 4.1708 8.4269 119.4374 59.1769 29.4473 178.8848 87 E 4.0716 8.3283 116.9489 59.3591 29.4628 179.1078 88 A 4.2362 8.2003 121.3319 54.8350 18.4377 179.4072 89 F 3.2685 8.1954 119.1154 61.1856 39.2088 177.7343 90 R 4.0146 8.0469 116.9415 59.1490 29.8622 178.9181 91 V 3.7244 7.3829 116.9488 65.9474 31.6010 177.8680 92 F 4.0906 7.9529 116.5843 59.0968 40.0183 176.0832 93 D 4.6664 7.5932 119.6405 51.8326 38.7848 176.1426 94 K 3.7599 8.1676 124.8861 58.8263 32.5085 177.2497 95 D 4.5134 8.1222 114.2793 52.8917 39.8479 177.0282 96 G 3.9030 8.0997 107.8517 46.4369 0.0000 174.0468 97 N 4.5434 8.4737 114.4422 52.8941 37.1365 175.9126 98 G 3.7383 8.7999 106.3510 46.0297 0.0000 173.0906 99 Y 5.2415 7.9567 115.3970 56.2447 42.2301 174.8157 100 I 4.4242 9.4755 126.1662 60.5883 38.6770 175.9495 101 S 4.9198 9.0218 122.3079 56.9609 65.1337 175.3378 102 A 4.0371 8.6632 121.4420 55.2900 18.0489 179.7335 103 A 4.0618 7.9511 118.8105 54.9876 18.5545 179.6545 104 E 3.8907 8.1325 117.4612 59.3460 29.5983 179.0643 105 L 4.0595 8.0282 120.3848 58.2867 42.2125 178.9951 106 R 3.9005 8.0078 118.5579 59.7601 29.9333 177.9413 107 H 4.0546 8.2008 117.9872 59.1144 29.6931 177.5121 108 V 3.4295 7.9271 120.0961 66.2637 31.2420 177.8969 109 M 4.0507 8.0188 118.4123 58.7716 31.8614 179.0059 110 T 3.9077 8.0057 115.8279 66.6760 68.4486 176.7777 111 N 4.3828 8.2209 117.6200 55.9932 38.5580 176.9342 112 L 4.1239 7.4533 121.3891 57.2272 42.1837 176.3746 113 G 3.6526 7.3063 110.2369 45.8784 0.0000 173.8818 114 E 4.0860 7.4247 120.5767 55.2001 30.4879 175.3416 *116 L 4.2736 7.9683 119.8847 54.5856 42.7541 177.6660 117 T 4.3428 8.7406 112.2758 60.8843 71.2378 175.5935 118 D 4.3531 8.5972 121.1797 57.6594 40.8546 178.6169 119 E 3.9189 8.2671 118.9819 59.6677 29.6215 178.7774 120 E 4.1258 8.1209 118.1965 59.3957 29.6553 179.5472 121 V 3.6263 8.0774 118.5273 66.1303 31.6307 177.6853 122 D 4.4280 8.3324 118.7308 57.5406 40.6130 178.7585 123 E 4.0110 8.1933 118.8465 59.7427 29.1293 179.3487 124 M 4.1209 7.9763 118.4900 58.1909 32.0682 178.9647 125 I 3.9075 7.5975 119.6428 64.2810 37.2221 178.4324 126 R 3.9424 7.8139 117.7039 59.3380 29.9821 178.2371 127 E 4.0312 8.1877 117.6865 58.9852 29.7034 178.0359 128 A 4.4967 7.3984 116.7937 52.1886 20.6705 177.9854 129 D 4.7955 7.6639 118.2291 52.5960 38.7765 176.3328 130 I 3.6862 7.9306 124.2178 63.7020 37.6780 176.8972 131 D 4.5775 8.2886 116.4225 52.6343 39.5448 176.7505 132 G 3.9236 7.8260 107.4130 46.8867 0.0000 173.8057 133 D 4.5448 8.4877 116.9719 52.7779 39.1591 177.0721 134 G 3.9113 8.7474 106.0237 46.6767 0.0000 173.1816 135 Q 4.6245 8.3453 117.0630 54.6720 33.9111 173.9877 136 V 4.7386 8.8322 120.0776 61.5007 33.8331 175.0993 137 N 5.1953 9.4890 126.9415 52.0849 39.4994 175.6255 138 Y 3.4479 8.3122 118.3783 60.6967 38.6337 177.4502 139 E 3.7610 8.1793 119.7330 59.1432 29.8254 178.4576 140 E 3.9662 9.3254 119.1833 59.2675 29.3933 179.0898 141 F 4.1519 8.3219 120.6761 61.3663 39.2711 177.5978 142 V 3.3543 7.4424 110.8990 64.2594 31.5272 178.0567 143 Q 3.9914 8.0252 119.2330 59.4633 28.7418 177.9029 144 M 3.8920 8.1700 118.0841 58.8965 32.2036 177.7063 145 M 4.0645 7.4571 117.4337 58.0033 32.1142 176.5911 146 T 4.1186 8.4014 114.5685 60.8005 69.9408 175.6848 147 A 3.6893 7.9485 125.1038 52.2965 18.6426 176.8781 148 K 3.9415 7.7930 118.2134 57.1893 32.7317 173.9289 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 4 L 8.18 4.35 0.00 1.67 1.81 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.53 3.91 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 6 E 8.96 4.01 0.00 2.01 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 2.43 2.39 0.00 7 E 8.10 3.93 0.00 2.01 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 2.37 0.00 8 Q 7.73 4.30 0.00 2.22 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 9 I 7.91 4.03 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 1.17 0.00 0.00 10 A 8.16 4.06 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 11 E 8.07 4.01 0.00 1.94 1.94 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 2.28 2.60 0.00 12 F 8.48 5.04 0.00 3.51 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 13 K 8.99 3.82 0.00 1.77 1.97 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.32 7.81 14 E 8.15 3.95 0.00 2.36 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 2.36 2.36 0.00 15 A 8.27 4.33 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 0.00 0.00 0.00 0.00 0.00 16 F 8.59 3.33 0.00 3.00 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 17 S 8.19 4.03 0.00 4.08 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 18 L 7.47 3.94 0.00 1.45 1.75 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.79 4.25 0.00 2.85 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 20 D 6.99 4.45 0.00 2.10 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 0.00 0.00 0.00 0.00 21 K 8.05 3.90 0.00 1.87 1.82 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.33 7.81 22 D 8.08 4.57 0.00 2.73 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 23 G 7.83 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 24 D 8.58 4.54 0.00 2.81 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 25 G 9.56 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 26 T 8.24 5.28 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 1.32 0.00 0.00 27 I 8.79 4.69 1.85 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.57 0.91 0.00 0.00 28 T 8.72 4.63 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 29 T 8.70 3.85 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 30 K 8.18 3.83 0.00 1.82 1.93 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.57 7.81 31 E 8.09 3.94 0.00 2.19 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 2.31 2.31 0.00 32 L 8.07 4.26 0.00 1.83 1.94 1.08 1.09 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 33 G 8.20 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 34 T 8.09 3.86 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 1.18 0.00 0.00 35 V 7.65 3.53 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 0.47 0.00 0.00 0.73 0.00 0.00 36 M 8.17 4.26 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 37 R 8.19 4.66 0.00 1.97 1.97 0.00 3.15 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 38 S 7.78 4.23 0.00 3.96 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 39 L 7.53 4.64 0.00 1.78 1.65 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.49 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 41 Q 7.59 4.60 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 42 N 8.41 5.36 0.00 2.61 2.68 0.00 0.00 7.08 7.69 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 43 P 0.00 4.68 0.00 2.23 2.04 0.00 3.83 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 2.00 1.97 0.00 44 T 9.28 4.22 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 1.27 0.00 0.00 45 E 8.75 3.95 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 2.38 2.45 0.00 46 A 7.90 4.10 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 47 E 8.30 3.95 0.00 2.29 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 2.33 2.35 0.00 48 L 7.85 3.95 0.00 1.91 1.73 1.04 0.84 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 49 Q 7.90 3.96 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 50 D 8.18 4.38 0.00 2.91 2.70 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 0.00 0.00 0.00 0.00 51 M 7.79 4.08 0.00 2.00 2.23 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 2.86 2.58 0.00 52 I 7.98 3.86 2.00 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 1.68 1.28 0.97 0.00 0.00 53 N 8.74 4.32 0.00 2.92 2.87 0.00 0.00 6.71 7.58 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 54 E 8.25 3.99 0.00 2.13 2.15 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 2.29 2.29 0.00 55 V 7.36 4.17 2.07 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 0.84 0.00 0.00 0.89 0.00 0.00 56 D 7.52 4.62 0.00 2.99 2.57 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 0.00 0.00 0.00 0.00 57 A 8.10 3.98 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 58 D 8.50 4.45 0.00 2.80 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 59 G 8.03 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 60 N 8.46 4.51 0.00 2.88 2.95 0.00 0.00 7.11 7.13 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 61 G 9.14 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 62 T 7.56 4.87 4.42 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 1.23 0.00 0.00 63 I 8.73 5.33 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.89 0.95 0.00 0.00 64 D 8.78 5.44 0.00 2.90 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 65 F 8.55 3.58 0.00 2.13 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.95 0.00 2.14 2.03 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 67 E 8.89 3.95 0.00 2.16 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 0.00 2.32 2.49 0.00 68 F 8.47 4.10 0.00 3.30 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.34 3.55 0.00 1.50 1.45 0.54 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.55 3.70 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 1.13 0.00 0.00 71 M 7.64 3.85 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 72 M 7.54 3.57 0.00 0.62 1.18 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 2.05 1.93 0.00 73 A 7.80 3.98 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 74 R 7.66 3.79 0.00 1.79 1.99 0.00 3.05 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 75 K 8.19 3.82 0.00 1.80 1.80 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 76 M 8.22 4.10 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 77 K 7.86 4.07 0.00 1.95 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.66 7.81 78 D 8.31 4.38 0.00 2.91 2.71 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 79 T 8.08 3.90 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 1.26 0.00 0.00 80 D 8.18 4.38 0.00 2.88 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 81 S 7.78 4.09 0.00 4.00 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 82 E 8.52 4.09 0.00 2.21 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 2.40 2.50 0.00 83 E 8.55 4.08 0.00 2.22 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 2.34 2.51 0.00 84 E 8.08 4.09 0.00 2.27 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 2.38 2.39 0.00 85 I 8.00 4.04 2.11 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 1.59 1.36 1.15 0.00 0.00 86 R 8.43 4.17 0.00 2.11 1.95 0.00 2.92 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.23 0.00 87 E 8.33 4.07 0.00 2.28 2.32 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 2.57 2.42 0.00 88 A 8.20 4.24 1.72 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 0.00 0.00 89 F 8.20 3.27 0.00 3.03 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 90 R 8.05 4.01 0.00 2.02 2.01 0.00 3.23 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 91 V 7.38 3.72 2.31 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 0.73 0.00 0.00 1.00 0.00 0.00 92 F 7.95 4.09 0.00 2.59 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 93 D 7.59 4.67 0.00 2.25 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 94 K 8.17 3.76 0.00 1.68 1.91 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 95 D 8.12 4.51 0.00 2.84 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 96 G 8.10 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 97 N 8.47 4.54 0.00 3.03 3.01 0.00 0.00 6.90 6.97 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 98 G 8.80 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 0.00 0.00 0.00 99 Y 7.96 5.24 0.00 3.00 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 0.00 100 I 9.48 4.42 1.89 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.26 0.99 0.00 0.00 101 S 9.02 4.92 0.00 3.94 4.03 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 0.00 102 A 8.66 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.95 4.06 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 0.00 0.00 0.00 0.00 0.00 104 E 8.13 3.89 0.00 2.20 2.21 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 2.31 2.32 0.00 105 L 8.03 4.06 0.00 1.89 1.88 1.24 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.01 3.90 0.00 2.11 1.92 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 107 H 8.20 4.05 0.00 3.53 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.93 3.43 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 0.24 0.00 0.00 0.63 0.00 0.00 109 M 8.02 4.05 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.93 0.00 110 T 8.01 3.91 4.37 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 1.15 0.00 0.00 111 N 8.22 4.38 0.00 2.75 2.86 0.00 0.00 7.03 8.64 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 0.00 112 L 7.45 4.12 0.00 1.59 1.87 0.92 1.49 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 0.00 113 G 7.31 3.65 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 0.00 0.00 0.00 114 E 7.42 4.09 0.00 1.88 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 2.34 2.33 0.00 *116 L 7.97 4.27 0.00 1.71 1.69 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.74 4.34 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 1.26 0.00 0.00 118 D 8.60 4.35 0.00 2.71 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 0.00 119 E 8.27 3.92 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 2.39 2.49 0.00 120 E 8.12 4.13 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 2.34 2.32 0.00 121 V 8.08 3.63 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 1.12 0.00 0.00 0.97 0.00 0.00 122 D 8.33 4.43 0.00 2.91 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 0.00 123 E 8.19 4.01 0.00 2.29 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 2.34 2.53 0.00 124 M 7.98 4.12 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 125 I 7.60 3.91 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.36 0.98 0.00 0.00 126 R 7.81 3.94 0.00 2.06 2.01 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 127 E 8.19 4.03 0.00 2.16 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 2.32 2.34 0.00 128 A 7.40 4.50 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 0.00 0.00 0.00 0.00 0.00 129 D 7.66 4.80 0.00 3.08 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.69 1.89 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 1.47 0.81 0.92 0.00 0.00 131 D 8.29 4.58 0.00 2.84 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 0.00 132 G 7.83 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 0.00 133 D 8.49 4.54 0.00 2.74 2.73 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 0.00 134 G 8.75 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 0.00 135 Q 8.35 4.62 0.00 1.87 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 136 V 8.83 4.74 2.21 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 1.20 0.00 0.00 1.02 0.00 0.00 137 N 9.49 5.20 0.00 2.92 3.28 0.00 0.00 6.22 7.80 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 0.00 138 Y 8.31 3.45 0.00 2.26 2.73 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 0.00 139 E 8.18 3.76 0.00 2.08 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 0.00 2.37 2.37 0.00 140 E 9.33 3.97 0.00 2.34 2.24 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 2.36 2.53 0.00 141 F 8.32 4.15 0.00 3.35 3.18 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 0.00 0.00 0.00 0.00 142 V 7.44 3.35 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 0.08 0.00 0.00 0.77 0.00 0.00 143 Q 8.03 3.99 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 144 M 8.17 3.89 0.00 1.79 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 145 M 7.46 4.06 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.57 0.00 146 T 8.40 4.12 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 1.17 0.00 0.00 147 A 7.95 3.69 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 0.00 148 K 7.79 3.94 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.14 7.81 * Residues marked with a * may have inaccurate shift predictions.