NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9200 8.2127 109.7222 45.1245 0.0000 174.0238 3 I 3.5550 8.1615 117.6510 62.9905 37.6288 176.1633 4 L 3.9455 8.0717 121.2843 58.0167 42.4825 177.9433 5 F 3.9670 8.2530 120.1457 61.6451 39.2038 177.0000 6 T 4.0681 7.9820 114.8442 66.6737 68.3023 176.7482 7 R 3.9215 7.9647 119.8359 59.5159 30.1600 179.2902 8 I 3.6906 7.6472 119.5030 63.9086 37.0457 178.3629 9 W 4.1479 8.4314 129.5798 60.5983 30.2907 178.3320 10 R 3.7754 8.0769 117.0496 58.8340 29.7430 178.4566 11 L 3.6556 7.7272 120.0994 58.1218 42.0720 178.6612 12 F 4.1692 8.1468 120.4567 61.3549 38.8833 175.8069 13 N 4.7163 7.1999 114.6686 53.1417 38.4074 176.5341 14 H 4.4460 7.9469 119.6521 56.7519 29.1954 175.1027 15 Q 4.5839 6.7900 117.8303 53.6023 31.7238 174.3444 16 E 4.5391 8.0920 118.7854 56.4570 30.7325 175.7152 17 H 5.0680 8.6920 118.2826 54.1200 34.2556 172.2654 18 K 4.9316 8.6150 120.6398 54.7957 35.1550 174.9005 19 V 5.0530 8.9481 127.2903 61.2026 35.1573 173.8876 20 I 4.8049 8.5747 127.8979 59.5938 39.6963 174.3586 21 I 4.7236 8.5186 126.9771 59.3746 40.6264 174.5211 22 V 4.8071 8.9978 122.0933 57.4184 36.3009 174.9383 23 G 4.4207 7.7307 110.1502 45.5587 0.0000 171.9161 24 L 4.9125 7.6641 119.8240 53.4395 43.1812 176.5528 25 D 4.4572 8.5034 120.2188 56.0906 41.5002 176.2059 26 N 4.4156 8.9977 121.3405 53.5357 36.0069 175.1660 27 A 3.9803 7.7599 122.8866 54.6446 18.7216 178.6974 28 G 4.0792 8.4609 104.4635 45.8477 0.0000 175.8956 29 K 3.7780 8.4409 121.5194 59.6891 32.0418 179.2252 30 T 3.8301 7.7724 115.3035 66.8448 68.4261 176.7543 31 T 3.8870 7.7170 117.2517 66.5607 68.5408 176.6988 32 I 3.5679 7.6108 121.7287 64.3550 37.1364 178.4974 33 L 3.5626 7.7737 119.7978 57.6758 41.0216 178.9596 34 Y 4.0111 8.0459 119.5118 60.6989 38.5010 178.1445 35 Q 3.5438 7.6328 117.6030 58.9753 28.8861 178.6712 36 F 3.5384 7.9475 117.5677 60.1132 39.0502 177.5646 37 S 4.3342 7.9123 113.9142 59.9481 62.8365 174.4631 38 M 3.9240 6.6173 121.9748 56.9290 31.9278 175.8094 39 N 4.2872 8.9823 118.9905 53.9144 36.1660 173.0944 40 E 4.8492 8.1822 117.4442 54.5167 33.0046 174.8648 41 V 4.4070 8.2293 118.9388 61.5925 33.3307 174.5456 42 V 5.1127 8.4243 126.9268 61.5112 34.5827 174.4719 43 H 4.9389 9.4975 123.7734 54.5309 32.0105 172.6068 44 T 5.2150 8.5949 113.9119 60.6213 70.9867 174.0712 45 S 4.8564 8.5747 116.2033 56.5399 66.6447 172.3272 46 P 4.7653 0.0000 0.0000 62.9491 32.2265 175.4597 47 T 4.7946 8.0135 107.8635 59.9723 71.5874 174.5058 48 I 4.1244 8.4721 122.1508 61.6808 37.2899 176.6153 49 G 4.2518 7.6031 110.0558 45.2206 0.0000 173.2233 50 S 3.8692 8.2461 119.5942 62.3836 63.3684 174.1350 51 N 5.1218 7.7601 120.3854 53.0970 40.2623 174.6358 52 V 4.4111 7.9645 117.9868 62.2401 32.8116 174.6421 53 E 4.7720 9.1509 127.3024 54.5338 32.6058 174.3808 54 E 4.9640 8.4473 124.9352 54.8096 31.7269 174.5831 55 I 4.7508 9.0991 128.2127 59.6888 40.6446 174.5547 56 V 4.8334 9.0859 128.7961 61.6491 33.3272 174.5750 57 I 4.9723 9.1536 129.2380 60.7442 39.8874 176.4983 58 N 4.2477 9.8495 128.5845 55.1143 39.1987 174.2138 59 N 5.0096 7.2034 112.0197 53.0116 40.7880 173.1210 60 T 4.8034 8.4549 117.8564 61.7979 71.0574 173.4819 61 R 4.6403 8.9573 128.6142 55.4900 31.3713 174.8474 62 F 5.2932 9.4624 126.6001 56.0664 41.3686 175.0616 63 L 5.1097 9.1382 123.9820 53.4429 43.8577 174.9301 64 M 5.4887 8.8986 124.7619 52.8702 35.0047 174.5812 65 W 5.0311 7.6391 119.3141 55.7425 31.2965 172.8414 66 D 5.2294 9.0600 121.8856 54.1718 40.9879 175.9518 67 I 4.6031 8.6180 116.4057 60.0544 40.8691 176.5158 68 G 4.1096 9.2786 108.7338 45.9093 0.0000 175.1398 69 G 3.5768 8.1510 108.5375 48.0316 0.0000 174.3016 *74 R 3.4532 7.6354 120.4180 54.5701 30.8800 176.2639 75 S 4.0058 8.1955 119.9367 61.4760 62.6762 176.5439 76 S 4.0674 7.5510 115.6260 60.0867 62.7924 175.6077 77 W 4.3727 7.4954 122.7131 58.9961 29.0029 177.5638 78 N 3.7086 7.5899 117.2536 57.0135 38.0002 176.5524 79 T 3.8275 7.4466 112.8218 64.3855 67.6582 174.2352 80 Y 4.5321 7.6683 118.3010 59.9506 38.9266 176.3737 81 Y 4.7744 7.5661 116.7625 61.4387 38.1526 177.1828 82 T 4.1461 7.9799 114.4463 65.5207 68.7836 174.0179 83 N 4.4533 9.0341 121.3878 53.7060 36.3200 174.3327 84 T 4.3458 7.8943 116.2344 63.5569 69.3065 174.4765 85 E 4.1295 9.0472 126.2020 58.3486 31.1471 176.7634 86 F 5.5237 8.0440 116.3969 55.7222 44.0245 173.9849 87 V 4.7180 9.3254 123.1368 61.4004 33.6457 174.2604 88 I 4.8207 9.2219 130.3875 59.8788 39.1057 174.8519 89 V 4.6313 8.6829 128.4006 61.1582 33.6045 174.4162 90 V 4.6001 8.9081 129.2058 61.6967 33.2784 174.5513 91 V 4.3026 8.6511 128.0407 60.9467 34.4263 173.9138 92 D 4.8496 8.6534 127.6841 53.6816 41.4452 176.9343 93 S 4.2239 9.0516 124.2700 60.9643 62.9938 176.1835 94 T 4.2667 8.1043 108.9327 61.7355 69.1809 175.1244 95 D 4.6763 7.6658 124.0836 52.8161 39.8656 176.5101 96 R 3.7521 8.0038 123.0587 58.2706 30.7612 177.9783 97 E 4.0242 8.2886 117.9304 58.4881 29.9552 177.2980 98 R 4.5454 7.8313 115.4166 55.7730 31.0841 177.5751 99 I 3.7459 7.4070 119.9425 64.0298 37.7094 177.9504 100 S 4.2459 8.0863 114.8964 61.2013 62.8541 176.5885 101 V 3.6117 7.8246 121.9889 66.1360 31.2834 178.0962 102 T 3.8858 7.9064 115.0357 66.5918 68.3475 176.3301 103 R 3.9447 8.1306 120.5139 59.3882 30.1516 178.0506 104 E 4.0196 8.4845 119.1976 59.5768 29.7947 178.6899 105 E 4.1448 8.4325 118.5535 59.1958 29.5363 178.9403 106 L 3.8475 8.3579 120.8284 58.6562 42.3053 178.8767 107 Y 4.0457 7.9544 116.0358 60.5800 37.5250 178.3415 108 K 4.2793 7.8321 118.4670 59.1303 32.4046 178.9456 109 M 4.4256 7.9289 118.8942 58.2302 31.9532 178.5215 110 L 4.0493 7.7567 116.8714 56.8370 41.7838 178.7972 111 A 4.3715 7.4696 119.0784 53.3524 18.6042 177.1231 112 H 4.3817 7.9774 116.3701 55.2777 28.9490 176.2009 113 E 4.0221 9.0530 123.8420 59.2947 29.3286 178.6011 114 D 4.6236 8.2765 117.4811 56.0103 41.3420 176.5384 115 L 4.6564 8.1660 119.3873 54.2962 42.1301 177.8926 116 R 3.8528 7.8321 121.6533 59.4392 29.7571 177.5222 117 K 4.2776 7.8891 112.5988 56.2777 32.6835 176.5338 118 A 4.2143 7.6887 121.8938 51.8250 19.1314 177.7166 119 G 4.2256 8.9311 108.6288 45.2851 0.0000 172.5217 120 L 5.3783 9.5526 124.5280 53.1077 44.5272 174.7697 121 L 4.6083 8.8398 129.3836 53.3717 44.1951 174.9590 122 I 4.6135 8.3980 128.4092 59.7776 39.0981 175.0355 123 F 4.9313 8.9274 127.6554 56.4448 40.2301 175.5148 124 A 4.5711 9.3673 128.3926 51.0274 18.1185 176.1471 125 N 4.8129 9.0875 120.6046 53.1663 41.5443 174.2805 126 K 4.4770 8.3652 116.8311 57.1923 29.3368 177.4835 127 Q 4.2971 7.8287 116.6885 57.1664 29.1269 177.1789 128 D 4.4527 7.8550 117.9421 54.7940 40.3169 176.2585 129 V 4.0638 7.5514 121.2808 61.7532 32.0476 175.4634 130 K 4.0105 8.4394 126.8044 57.8643 32.4000 176.5719 131 E 3.7662 8.9377 121.6362 56.5339 28.1785 173.7962 132 C 4.4747 7.5162 111.7757 58.2979 30.6001 173.4097 133 M 4.4626 8.8267 120.3252 55.6720 32.3477 176.8439 134 T 4.2193 9.1894 113.1904 61.0858 70.5810 175.9600 135 V 3.5896 8.5142 120.8846 66.0602 31.4144 177.7988 136 A 4.0390 8.0052 120.0427 55.2455 18.3059 179.2799 137 E 4.3498 8.1957 118.3819 59.2424 29.6938 179.6846 138 I 3.8259 7.9386 119.8388 64.3119 37.1440 178.4362 139 S 4.0161 8.3095 114.0427 61.4265 62.2172 176.2244 140 Q 3.9323 8.3299 120.8047 59.1521 28.3484 178.8430 141 F 4.1200 8.8103 116.7399 59.1491 39.0478 176.5853 142 L 4.5252 7.6213 116.5191 53.0327 42.9291 175.7519 143 K 3.7597 8.0391 120.0061 56.8593 31.3322 176.7054 144 L 3.4519 7.7121 119.5669 57.6689 41.7427 180.2699 145 T 4.2456 7.7351 107.4894 64.0890 68.7511 175.3696 146 S 4.1916 7.9342 116.2695 60.3221 63.2153 174.5919 147 I 4.1858 7.6575 122.4929 60.7459 35.5066 175.1913 148 K 4.4680 8.5541 125.1905 57.1478 32.9766 177.6975 149 D 4.7082 8.1632 115.9606 53.8571 40.1796 175.7650 150 H 5.0912 7.9908 116.0753 53.9479 32.5516 172.7964 151 Q 4.6750 8.6708 121.1174 55.7244 29.9528 175.0349 152 W 5.8058 8.3543 118.7866 55.7602 31.8366 173.5244 153 H 4.3757 8.5106 119.9236 54.7280 32.8454 171.6432 154 I 4.6602 8.1787 125.8233 59.3268 39.8435 174.1482 155 Q 4.5783 9.2768 130.4077 53.9518 31.7049 174.1155 156 A 4.7588 8.6804 128.7933 52.2210 19.8682 175.7746 157 C 4.7170 8.9004 115.8834 57.4156 34.1019 172.8336 158 C 4.6852 8.9781 118.9535 57.4203 32.9595 174.3577 159 A 3.8551 8.9553 130.6205 54.7391 18.3365 178.8404 160 L 4.1053 7.9313 115.5966 57.4626 41.8144 178.0631 161 T 4.1822 7.8885 106.2293 61.2519 70.0523 175.6564 162 G 3.7612 8.4004 111.4343 44.8204 0.0000 173.2583 163 E 4.1533 7.5946 120.3612 57.9703 30.0307 177.9012 164 G 4.1499 8.9156 111.1935 46.9763 0.0000 175.5086 165 L 4.3021 7.9557 119.9240 57.8462 41.4279 179.0559 166 C 4.2805 8.1646 116.3896 62.9532 28.1887 175.7533 167 Q 4.1031 8.2510 120.7562 59.0920 28.8527 178.3070 168 G 3.6831 8.3836 106.8350 47.8391 0.0000 175.4297 169 L 3.9852 8.4049 123.2459 57.8955 42.0903 178.9315 170 E 3.9569 8.4908 118.7449 58.8823 29.3362 179.1798 171 W 4.0042 8.1553 128.6200 60.6404 30.7872 177.8888 172 M 3.2090 7.8524 118.3105 58.4540 30.9728 178.7259 173 M 4.2015 7.8512 118.9330 58.3914 31.9086 178.9854 174 S 3.9340 7.8028 113.4138 61.4708 63.1340 176.5173 175 R 3.8736 7.4372 120.8887 59.4260 29.8180 177.9149 176 L 4.2217 8.0044 118.6925 56.0202 42.1649 177.7768 177 K 4.2682 7.5603 130.9232 55.7103 31.2691 177.5268 178 I 4.1711 7.6193 124.1058 61.1331 38.1617 175.2521 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 2 G 8.21 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 3 I 8.16 3.55 1.89 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 1.54 1.22 0.92 0.00 0.00 4 L 8.07 3.95 0.00 1.82 1.68 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.25 3.97 0.00 3.11 3.10 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 6 T 7.98 4.07 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 7 R 7.96 3.92 0.00 2.01 1.97 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 8 I 7.65 3.69 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.79 0.00 0.00 9 W 8.43 4.15 0.00 2.44 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 10 R 8.08 3.78 0.00 1.89 1.97 0.00 3.29 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 11 L 7.73 3.66 0.00 1.81 1.80 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.15 4.17 0.00 3.07 2.98 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 13 N 7.20 4.72 0.00 2.42 2.71 0.00 0.00 7.00 7.97 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 14 H 7.95 4.45 0.00 3.12 3.26 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 6.79 4.58 0.00 1.81 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.93 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 16 E 8.09 4.54 0.00 1.72 1.76 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 2.20 2.23 0.00 17 H 8.69 5.07 0.00 2.95 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.62 4.93 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.47 7.81 19 V 8.95 5.05 1.62 0.00 0.00 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 1.00 0.00 0.00 20 I 8.57 4.80 1.85 0.00 0.00 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 1.21 0.96 0.33 0.00 0.00 21 I 8.52 4.72 1.90 0.00 0.00 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 1.08 1.55 0.87 0.00 0.00 22 V 9.00 4.81 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 0.66 0.00 0.00 23 G 7.73 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 0.00 0.00 0.00 0.00 24 L 7.66 4.91 0.00 1.62 1.62 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.50 4.46 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 9.00 4.42 0.00 2.93 2.96 0.00 0.00 6.99 7.35 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 27 A 7.76 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 28 G 8.46 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.44 3.78 0.00 1.72 1.75 0.00 1.52 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 30 T 7.77 3.83 4.18 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 1.17 0.00 0.00 31 T 7.72 3.89 4.30 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 1.18 0.00 0.00 32 I 7.61 3.57 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.60 0.00 0.00 33 L 7.77 3.56 0.00 1.66 1.48 0.68 -0.55 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 34 Y 8.05 4.01 0.00 3.08 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 35 Q 7.63 3.54 0.00 2.08 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 36 F 7.95 3.54 0.00 2.70 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 37 S 7.91 4.33 0.00 4.04 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 38 M 6.62 3.92 0.00 1.85 1.89 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 2.00 2.24 0.00 39 N 8.98 4.29 0.00 2.90 2.97 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.18 4.85 0.00 2.24 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 2.58 2.89 0.00 41 V 8.23 4.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.00 0.00 0.00 42 V 8.42 5.11 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 0.99 0.00 0.00 1.02 0.00 0.00 43 H 9.50 4.94 0.00 3.18 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.59 5.22 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 1.26 0.00 0.00 45 S 8.57 4.86 0.00 3.95 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 46 P 0.00 4.77 0.00 2.24 2.13 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 47 T 8.01 4.79 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 1.34 0.00 0.00 48 I 8.47 4.12 1.89 0.00 0.00 0.89 0.00 0.00 0.00 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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 78 N 7.59 3.71 0.00 2.73 2.74 0.00 0.00 6.77 7.11 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 79 T 7.45 3.83 3.95 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 0.31 0.00 0.00 80 Y 7.67 4.53 0.00 3.20 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 81 Y 7.57 4.77 0.00 3.17 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 82 T 7.98 4.15 4.30 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 1.25 0.00 0.00 83 N 9.03 4.45 0.00 2.95 3.02 0.00 0.00 7.10 7.54 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 84 T 7.89 4.35 4.46 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 1.34 0.00 0.00 85 E 9.05 4.13 0.00 1.97 1.53 0.00 0.00 0.00 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 2.27 0.00 86 F 8.04 5.52 0.00 3.03 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 87 V 9.33 4.72 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 0.86 0.00 0.00 0.91 0.00 0.00 88 I 9.22 4.82 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 1.02 0.00 0.00 89 V 8.68 4.63 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 0.92 0.00 0.00 0.80 0.00 0.00 90 V 8.91 4.60 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 0.85 0.00 0.00 0.94 0.00 0.00 91 V 8.65 4.30 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 0.87 0.00 0.00 0.90 0.00 0.00 92 D 8.65 4.85 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.05 4.22 0.00 3.96 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 94 T 8.10 4.27 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 1.18 0.00 0.00 95 D 7.67 4.68 0.00 2.83 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 96 R 8.00 3.75 0.00 1.75 1.82 0.00 3.18 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 97 E 8.29 4.02 0.00 1.90 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 2.33 0.00 98 R 7.83 4.55 0.00 1.93 1.91 0.00 3.31 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 99 I 7.41 3.75 1.81 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 1.61 1.30 0.93 0.00 0.00 100 S 8.09 4.25 0.00 4.14 4.18 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 0.00 101 V 7.82 3.61 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 1.09 0.00 0.00 0.97 0.00 0.00 102 T 7.91 3.89 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 0.00 103 R 8.13 3.94 0.00 1.99 2.20 0.00 3.43 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 104 E 8.48 4.02 0.00 2.21 2.17 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 2.40 2.43 0.00 105 E 8.43 4.14 0.00 2.25 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 2.68 2.63 0.00 106 L 8.36 3.85 0.00 1.63 1.71 0.67 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.95 4.05 0.00 3.12 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 0.00 108 K 7.83 4.28 0.00 2.07 2.05 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.81 7.81 109 M 7.93 4.43 0.00 2.00 2.24 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 3.04 2.99 0.00 110 L 7.76 4.05 0.00 1.59 1.69 0.56 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.47 4.37 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 0.00 112 H 7.98 4.38 0.00 3.30 3.45 0.00 5.64 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 0.00 113 E 9.05 4.02 0.00 2.15 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 0.00 2.44 2.34 0.00 114 D 8.28 4.62 0.00 2.95 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 0.00 115 L 8.17 4.66 0.00 1.73 1.59 0.40 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.83 3.85 0.00 1.97 2.00 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 117 K 7.89 4.28 0.00 1.75 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.42 7.81 118 A 7.69 4.21 1.25 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 0.00 119 G 8.93 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 0.00 0.00 0.00 0.00 120 L 9.55 5.38 0.00 1.81 1.71 0.90 0.21 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 0.00 121 L 8.84 4.61 0.00 1.85 1.43 0.43 0.33 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 0.00 122 I 8.40 4.61 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.84 0.00 0.00 123 F 8.93 4.93 0.00 2.96 2.82 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 0.00 124 A 9.37 4.57 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 0.00 125 N 9.09 4.81 0.00 2.85 2.76 0.00 0.00 7.12 5.71 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 0.00 126 K 8.37 4.48 0.00 1.99 1.84 0.00 2.23 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.36 7.81 127 Q 7.83 4.30 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 128 D 7.85 4.45 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.55 4.06 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 0.92 0.00 0.00 0.93 0.00 0.00 130 K 8.44 4.01 0.00 1.77 1.72 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 131 E 8.94 3.77 0.00 2.07 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 2.15 2.32 0.00 132 C 7.52 4.47 0.00 3.00 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 0.00 133 M 8.83 4.46 0.00 1.79 2.04 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 2.64 2.32 0.00 134 T 9.19 4.22 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 1.22 0.00 0.00 135 V 8.51 3.59 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 1.05 0.00 0.00 0.94 0.00 0.00 136 A 8.01 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 0.00 137 E 8.20 4.35 0.00 2.27 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 2.48 2.28 0.00 138 I 7.94 3.83 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.26 0.91 0.00 0.00 139 S 8.31 4.02 0.00 3.93 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 0.00 140 Q 8.33 3.93 0.00 2.34 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 141 F 8.81 4.12 0.00 3.07 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 0.00 142 L 7.62 4.53 0.00 1.63 1.64 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.04 3.76 0.00 1.90 1.76 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.37 7.81 144 L 7.71 3.45 0.00 0.93 0.13 0.54 0.06 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 0.00 145 T 7.74 4.25 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 1.40 0.00 0.00 146 S 7.93 4.19 0.00 3.99 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 0.00 147 I 7.66 4.19 1.80 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 1.07 0.00 0.00 148 K 8.55 4.47 0.00 1.81 1.93 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.67 1.41 7.81 149 D 8.16 4.71 0.00 2.72 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 0.00 150 H 7.99 5.09 0.00 3.22 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.67 4.68 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 152 W 8.35 5.81 0.00 3.32 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 0.00 153 H 8.51 4.38 0.00 1.40 1.31 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.18 4.66 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.11 0.99 0.00 0.00 155 Q 9.28 4.58 0.00 1.96 1.74 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 2.57 2.56 0.00 156 A 8.68 4.76 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 0.00 157 C 8.90 4.72 0.00 3.05 3.11 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 0.00 0.00 0.00 158 C 8.98 4.69 0.00 2.92 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 0.00 159 A 8.96 3.86 1.18 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 0.00 0.00 160 L 7.93 4.11 0.00 1.60 1.70 0.88 0.77 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 0.00 161 T 7.89 4.18 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 1.17 0.00 0.00 162 G 8.40 3.76 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 0.00 0.00 0.00 163 E 7.59 4.15 0.00 1.98 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 2.31 2.23 0.00 164 G 8.92 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 0.00 0.00 0.00 165 L 7.96 4.30 0.00 1.64 1.71 0.64 0.30 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 0.00 166 C 8.16 4.28 0.00 3.04 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 0.00 167 Q 8.25 4.10 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 168 G 8.38 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 0.00 0.00 0.00 0.00 169 L 8.40 3.99 0.00 1.90 1.89 0.70 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.49 3.96 0.00 2.29 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 2.30 2.35 0.00 171 W 8.16 4.00 0.00 3.18 3.29 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 0.00 172 M 7.85 3.21 0.00 1.06 1.65 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.02 0.00 173 M 7.85 4.20 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 174 S 7.80 3.93 0.00 3.93 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 0.00 175 R 7.44 3.87 0.00 1.75 1.82 0.00 3.11 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 176 L 8.00 4.22 0.00 1.79 1.65 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.56 4.27 0.00 1.75 1.73 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 178 I 7.62 4.17 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.94 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.