NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 V 4.0793 8.0431 114.0431 62.0799 33.9600 176.8370 30 G 3.3139 9.4091 111.0611 46.7880 0.0000 174.7003 31 F 4.7624 9.2588 122.9617 56.6852 42.8923 173.6318 32 G 3.6968 8.5875 112.2668 44.5307 0.0000 175.7231 *36 E 3.9576 9.0520 123.7273 56.0051 30.4373 173.7023 37 E 4.6250 8.4095 125.4666 54.3335 31.5140 175.9424 38 W 4.3534 8.4924 130.2841 57.7744 31.3412 176.0605 39 R 4.1100 6.6627 119.8071 55.3938 31.6488 175.9606 40 G 3.5282 4.0000 107.5312 44.0689 0.0000 172.7410 41 E 4.1482 8.5855 119.9711 56.1747 30.7975 176.3116 42 V 4.9928 8.4848 126.1180 61.1125 34.1750 174.4784 43 V 4.4785 8.8762 127.8993 61.1472 33.9078 173.9304 44 H 4.2857 9.0808 128.6608 56.3808 29.7389 174.3876 45 L 4.3762 7.9339 125.7181 56.1776 43.6098 176.6668 46 S 4.3167 6.6085 109.7494 57.4779 65.2369 175.9063 47 W 4.7782 8.8213 123.1697 57.4097 29.9431 177.1555 48 S 4.7548 8.1658 114.0301 56.2178 62.8981 171.2044 49 P 5.2386 0.0000 0.0000 60.7413 33.1866 176.2331 50 R 4.2194 8.7200 121.3060 56.9078 31.0856 175.0500 51 A 5.1420 8.3779 127.5847 50.4938 23.0247 174.6288 52 F 5.1485 8.6967 118.4287 55.6206 43.3053 173.8559 53 L 4.7584 9.0658 125.1320 53.8382 43.9288 175.0058 54 L 5.2302 9.2717 127.0845 53.0794 43.4823 175.7752 55 K 4.6885 9.3605 125.2893 56.3008 32.8439 177.4063 56 N 4.3234 8.9618 122.8652 54.5021 36.6849 175.4423 57 F 3.6751 8.5382 120.7849 60.1676 40.0864 174.7914 58 L 4.6845 7.7302 119.3997 52.6111 43.6591 177.1239 59 S 4.4291 8.6480 117.6006 58.0874 65.1698 175.2117 60 D 4.4007 8.6516 122.5819 57.7885 40.5667 179.0844 61 E 3.9877 8.0947 118.4395 59.3955 29.5473 179.1089 62 E 3.9443 8.2249 118.5694 59.5005 29.5429 179.0546 63 C 4.0858 8.0742 116.6842 63.1051 28.2390 176.0041 64 D 4.2316 8.1145 120.2483 57.2973 40.3228 178.1331 65 Y 3.8916 8.0110 119.9455 60.8783 38.7914 178.3634 66 I 3.5478 7.8311 120.5307 64.1712 37.1599 178.4822 67 V 2.9739 7.4987 118.9562 66.0568 31.0046 178.0597 68 E 3.7932 7.5192 116.6570 59.0141 29.3101 178.9309 69 K 3.8993 7.8215 119.2481 59.3362 32.4845 178.4715 70 A 4.3633 8.3376 121.1894 54.6382 18.1608 179.2080 71 R 4.1385 7.9271 117.2636 59.3576 30.2211 176.0254 72 P 4.3766 0.0000 0.0000 64.3110 31.8315 175.8898 73 K 4.2125 7.9319 119.8307 55.6197 32.4975 176.9169 *75 V 3.9409 8.2448 117.9305 60.7337 33.3490 175.5495 76 K 4.1884 8.4412 122.2698 57.0599 32.7943 177.1117 *94 T 4.2697 7.9893 116.0874 63.6546 69.1444 174.0935 95 S 4.5802 8.4987 119.1577 59.5805 64.1983 173.8964 96 T 4.6689 8.3757 111.3524 60.5836 71.6875 173.0768 97 G 4.4474 8.7937 108.8516 46.3450 0.0000 171.4358 98 T 4.7393 8.6326 113.8319 60.9627 71.5691 171.5968 99 W 5.5143 8.4566 132.6719 55.5210 33.8908 173.8874 100 F 4.8957 8.5216 125.1299 55.1572 41.2484 175.0916 101 A 4.4144 9.1745 125.7702 51.3702 19.6734 176.8766 102 K 4.0123 8.1137 120.9647 57.5126 32.4177 177.2501 103 G 4.4224 9.2637 114.1638 45.0841 0.0000 173.9394 104 E 4.0797 8.3103 121.2888 57.9726 30.0267 177.0764 105 D 4.9961 7.6787 117.0373 51.5737 44.9705 176.2973 106 S 4.0211 8.5169 121.7426 61.5445 62.9597 176.9190 107 V 3.2763 7.4632 121.5855 65.5616 31.2561 177.7421 108 I 3.5552 8.1855 119.8715 64.5587 36.8709 178.5236 109 S 4.2195 8.2462 116.1534 61.3274 62.7326 176.5556 110 K 3.7886 7.6906 122.2799 59.7108 31.9171 178.8455 111 I 3.5469 7.2924 119.6601 64.3577 36.5834 178.2471 112 E 3.9593 8.4394 119.8353 59.2958 29.2325 179.5072 113 K 3.9383 7.9706 118.5099 59.5158 32.1453 179.2551 114 R 3.9181 7.8444 118.5278 59.3505 29.8646 178.7998 115 V 3.7283 8.0004 117.8470 65.8932 31.3697 177.6250 116 A 4.4036 7.7040 120.5399 54.7960 18.2794 179.1789 117 Q 4.2484 8.2260 115.1614 59.3345 28.9391 179.4700 118 V 3.9299 7.8430 118.9629 64.7763 31.7048 177.3981 119 T 3.8114 8.2921 109.9457 62.2957 68.6753 174.7550 *121 I 4.0846 7.5991 116.7414 59.5136 39.4869 173.9135 122 P 3.4517 0.0000 0.0000 61.9444 32.1235 177.3909 123 L 3.6202 8.1643 120.5153 57.4857 41.8680 179.4981 124 E 3.9343 8.1623 116.4868 59.2081 29.3923 178.0657 125 N 4.8617 8.2641 114.4611 53.3854 39.1357 173.9538 126 H 5.1251 7.8995 116.1966 54.4900 30.3412 175.3867 127 E 4.4439 9.1398 122.6472 56.1079 30.6190 177.0448 128 G 3.6438 8.7815 110.5352 46.3016 0.0000 172.6167 129 L 4.7242 7.5713 123.6888 53.1359 45.4123 176.3064 130 Q 5.2154 8.8270 127.8411 54.9351 31.0654 174.0946 131 V 5.0182 8.9369 126.4895 61.1794 34.2530 174.1893 132 L 5.2292 9.2881 127.2293 53.0884 45.6371 174.9141 133 H 4.6247 8.5551 121.8642 54.3502 32.1980 172.1503 134 Y 4.4188 8.6289 124.1673 57.8810 38.1931 175.4864 135 H 4.5962 8.7540 118.0550 56.1394 31.7219 174.7430 *156 E 4.3612 8.2369 115.6880 56.3988 30.9351 176.3407 157 H 4.3914 8.1727 112.9617 55.3141 29.4216 175.8086 158 G 4.0200 8.2365 108.7166 44.1284 0.0000 174.8806 159 G 3.9672 7.8318 106.6022 45.8443 0.0000 173.7192 160 Q 4.1834 8.4172 120.3370 55.4676 29.5541 175.8986 161 R 4.3095 8.3819 121.0513 56.5455 30.8502 176.8063 162 V 4.4679 8.9670 120.3881 62.1517 34.6097 175.7563 163 V 4.5043 7.5601 119.3646 61.3762 35.0565 174.8458 164 T 4.7222 7.5077 123.8968 60.7397 71.6209 172.3674 *166 L 4.0729 8.0264 122.9022 55.6604 44.1293 175.3521 *168 Y 4.8633 8.0391 116.0318 58.1502 38.7710 176.2213 169 L 4.5951 9.1711 124.2641 55.7916 42.5631 176.7893 170 T 4.8383 7.8063 107.5320 60.2450 72.1565 173.3571 171 T 4.5643 8.5334 119.5462 62.9360 69.8040 174.2883 172 V 4.2094 8.1477 126.4668 61.0702 32.4406 174.9205 173 E 4.1242 9.0227 129.9339 58.9270 30.4333 176.7097 174 E 4.4008 8.2772 119.9063 55.7192 33.4816 176.7431 175 G 4.1068 9.0556 115.2634 46.0458 0.0000 174.5950 176 G 4.1813 8.4292 110.8839 45.2095 0.0000 173.8781 177 E 4.3216 7.4513 119.1967 56.5691 30.9734 176.6236 178 T 4.5468 8.4657 120.5581 63.6020 69.9135 173.9667 179 V 4.8170 8.7752 125.1422 59.9478 35.0091 174.7114 180 L 5.1188 9.2987 123.9320 51.3286 42.3335 175.3456 181 P 4.4381 0.0000 0.0000 64.5844 31.8210 177.4597 182 N 4.6871 7.8986 114.4366 52.6991 37.7230 174.8223 183 A 4.3419 7.5331 122.3929 51.8895 18.9868 178.7741 184 E 4.0068 8.6170 117.8040 57.9993 30.0589 177.2141 185 Q 4.6742 7.1673 118.5612 53.7317 31.1002 174.7355 186 K 4.6174 8.0296 119.1665 54.8765 35.1339 176.4088 187 V 3.6618 7.8670 116.9624 61.5812 31.9895 175.6056 188 T 4.4975 7.7960 112.1543 61.2727 72.2434 175.7347 189 G 3.8814 8.7305 109.5971 45.0946 0.0000 172.1454 190 D 4.1737 8.7150 120.3704 56.4317 41.0997 177.0580 191 G 3.6820 9.0347 111.7656 44.8512 0.0000 172.6383 192 W 4.9511 7.1772 118.7496 54.5070 30.9643 176.8969 193 S 4.4462 9.3096 118.9893 58.1246 64.3072 175.3727 194 E 3.9919 8.6085 121.9248 59.5692 29.4662 179.7926 195 C 4.3573 8.2172 117.7887 59.7835 37.9442 175.1440 196 A 3.9180 7.8365 121.8690 55.3187 17.7464 179.3482 197 K 4.1965 7.6947 114.2700 58.3311 32.1596 179.0079 198 R 4.1884 7.9162 118.2651 59.9640 30.7071 176.4520 199 G 3.9512 7.6757 104.6327 46.0038 0.0000 171.9750 200 L 4.4761 7.9600 123.4857 54.8071 43.2252 177.3189 201 A 5.1807 7.8908 125.9875 50.2189 22.8597 175.1226 202 V 4.6581 8.5676 118.3215 60.9750 34.9368 174.9801 203 K 4.1647 8.8909 127.4072 55.5936 33.1267 174.9272 204 P 3.1604 0.0000 0.0000 62.1701 32.4607 175.1957 205 I 4.7829 7.8302 125.5244 58.6723 40.4817 175.2423 206 K 4.1188 9.0377 128.7087 58.5585 32.4925 176.1575 207 G 4.1470 9.3762 114.9691 45.4208 0.0000 173.1485 208 D 5.2586 8.0103 118.3973 54.2951 41.9066 175.9581 209 A 4.7107 9.0998 122.4612 50.2668 22.4084 175.7504 210 L 4.7600 8.6240 125.1052 53.4818 44.5815 175.2177 *212 F 4.9911 8.2516 114.5655 57.0264 39.5088 173.2988 213 Y 5.1195 8.9440 118.1113 56.9617 39.1754 175.9573 214 S 4.9864 9.2952 117.3182 57.5759 64.7515 173.7316 215 L 5.2912 7.8878 119.7923 52.6864 44.8075 176.2670 216 K 4.3709 8.7741 121.3924 55.3459 32.8841 176.5278 217 P 4.2359 0.0000 0.0000 66.0984 31.1430 177.6903 218 D 4.4700 8.0651 113.1749 53.7598 39.1109 177.0405 219 G 3.9561 8.3669 108.1293 45.7544 0.0000 174.1832 220 S 4.4928 8.2244 114.9961 57.4545 64.7773 173.1889 221 N 4.6184 8.7073 119.9696 54.0235 39.5226 173.7407 222 D 4.9100 8.9773 126.7412 51.9790 41.8016 175.0547 223 P 4.2918 0.0000 0.0000 65.0653 31.6815 178.3618 224 A 4.2414 8.0412 121.6359 54.2577 18.2451 178.0192 225 S 4.3678 8.1667 110.0659 58.0289 63.4619 174.0231 226 L 4.1312 7.7101 125.0815 56.1213 42.1879 175.2721 227 H 5.1635 8.5821 119.9931 54.4417 32.2953 171.9420 228 G 4.2178 8.8531 105.4081 45.5939 0.0000 171.3154 229 S 5.2023 8.3796 114.6898 56.3678 63.8255 174.5139 230 C 4.5667 9.3543 125.3739 56.0925 42.7426 171.5053 231 P 4.6265 0.0000 0.0000 63.3114 32.1741 175.7172 232 T 4.3402 8.5136 120.9545 63.9347 68.3691 174.1477 233 L 4.4850 8.6745 125.6795 55.6225 44.0044 176.6465 234 K 4.2209 8.8369 120.6238 58.2251 35.0767 174.4272 235 G 3.9306 8.3805 114.0137 44.1812 0.0000 171.1824 236 D 4.5104 8.4610 118.9057 52.6920 43.4193 174.6898 237 K 4.6998 8.8077 128.8291 54.9164 33.9453 174.7763 238 W 5.4744 9.1880 127.6526 55.0693 32.5018 174.9789 239 S 5.1965 9.6172 117.3145 56.8584 66.8102 172.5042 240 A 5.2939 8.4942 121.4866 50.5379 22.4144 174.9512 241 T 4.1570 9.0644 118.7746 61.2847 72.1297 172.8429 242 K 4.6619 8.0823 127.2131 54.3532 34.6217 174.4790 243 W 5.1063 8.8396 126.8022 55.1155 32.1650 174.9692 244 I 5.0390 8.5463 123.1626 60.0394 40.6837 174.6372 245 H 5.2713 9.0527 123.2740 54.1295 30.6318 175.7800 246 V 3.7663 8.6352 112.8163 63.7516 31.7122 176.2762 247 A 4.8998 8.0115 120.2988 48.9701 23.2016 173.6573 248 P 4.4947 0.0000 0.0000 63.1468 32.6676 177.0453 249 I 4.1087 8.5158 123.6500 61.6143 36.7475 175.8598 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 29 V 8.04 4.08 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 0.84 0.00 0.00 0.90 0.00 0.00 30 G 9.41 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 0.00 0.00 0.00 31 F 9.26 4.76 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 32 G 8.59 3.70 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 0.00 0.00 0.00 *36 E 9.05 3.96 0.00 1.96 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 2.18 2.33 0.00 37 E 8.41 4.63 0.00 2.01 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 2.46 2.29 0.00 38 W 8.49 4.35 0.00 3.12 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 39 R 6.66 4.11 0.00 1.42 1.53 0.00 3.25 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 40 G 4.00 3.53 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 0.00 0.00 0.00 41 E 8.59 4.15 0.00 2.10 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 2.45 2.35 0.00 42 V 8.48 4.99 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 0.97 0.00 0.00 1.06 0.00 0.00 43 V 8.88 4.48 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 1.02 0.00 0.00 1.01 0.00 0.00 44 H 9.08 4.29 0.00 3.20 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.93 4.38 0.00 1.35 1.50 0.90 0.71 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 46 S 6.61 4.32 0.00 3.65 3.60 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 47 W 8.82 4.78 0.00 3.33 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 48 S 8.17 4.75 0.00 3.93 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 49 P 0.00 5.24 0.00 2.24 2.15 0.00 3.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 50 R 8.72 4.22 0.00 2.08 2.04 0.00 2.62 0.00 0.00 3.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 51 A 8.38 5.14 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 52 F 8.70 5.15 0.00 2.93 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 53 L 9.07 4.76 0.00 1.84 1.62 1.14 0.79 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 54 L 9.27 5.23 0.00 1.37 1.52 0.21 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.36 4.69 0.00 1.79 1.88 0.00 2.08 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.85 7.81 56 N 8.96 4.32 0.00 3.09 3.04 0.00 0.00 7.00 7.48 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 57 F 8.54 3.68 0.00 2.73 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 58 L 7.73 4.68 0.00 1.66 1.50 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.65 4.43 0.00 4.21 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 60 D 8.65 4.40 0.00 2.79 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 61 E 8.09 3.99 0.00 2.02 1.98 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 2.38 2.45 0.00 62 E 8.22 3.94 0.00 2.13 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 2.20 2.26 0.00 63 C 8.07 4.09 0.00 3.12 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 64 D 8.11 4.23 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 65 Y 8.01 3.89 0.00 3.09 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 66 I 7.83 3.55 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.90 0.00 0.00 67 V 7.50 2.97 1.58 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 -0.43 0.00 0.00 0.39 0.00 0.00 68 E 7.52 3.79 0.00 1.76 1.83 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 2.35 2.34 0.00 69 K 7.82 3.90 0.00 0.92 1.66 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.43 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.70 7.81 70 A 8.34 4.36 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.93 4.14 0.00 1.97 2.15 0.00 3.28 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 72 P 0.00 4.38 0.00 2.23 2.18 0.00 4.00 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 2.00 1.99 0.00 73 K 7.93 4.21 0.00 1.71 1.72 0.00 1.59 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 *75 V 8.24 3.94 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 0.80 0.00 0.00 0.97 0.00 0.00 76 K 8.44 4.19 0.00 1.60 1.72 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 *94 T 7.99 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 95 S 8.50 4.58 0.00 3.39 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 96 T 8.38 4.67 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 1.08 0.00 0.00 97 G 8.79 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 4.74 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 99 W 8.46 5.51 0.00 3.39 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 0.00 100 F 8.52 4.90 0.00 2.76 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 0.00 101 A 9.17 4.41 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 0.00 102 K 8.11 4.01 0.00 1.75 1.79 0.00 1.70 0.00 0.00 0.86 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.39 7.81 103 G 9.26 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 0.00 104 E 8.31 4.08 0.00 2.08 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 2.45 2.33 0.00 105 D 7.68 5.00 0.00 2.70 2.29 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 0.00 106 S 8.52 4.02 0.00 4.01 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 0.00 107 V 7.46 3.28 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 0.56 0.00 0.00 0.06 0.00 0.00 108 I 8.19 3.56 1.64 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.30 0.71 0.00 0.00 109 S 8.25 4.22 0.00 3.98 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 0.00 110 K 7.69 3.79 0.00 1.67 1.89 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 111 I 7.29 3.55 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.27 0.81 0.00 0.00 112 E 8.44 3.96 0.00 2.05 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 2.26 2.47 0.00 113 K 7.97 3.94 0.00 1.97 1.87 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 114 R 7.84 3.92 0.00 1.76 1.89 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.56 0.00 115 V 8.00 3.73 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 0.92 0.00 0.00 1.11 0.00 0.00 116 A 7.70 4.40 1.33 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 0.00 117 Q 8.23 4.25 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 118 V 7.84 3.93 2.29 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 0.65 0.00 0.00 1.02 0.00 0.00 119 T 8.29 3.81 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 1.10 0.00 0.00 *121 I 7.60 4.08 1.95 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 1.58 0.93 0.98 0.00 0.00 122 P 0.00 3.45 0.00 2.37 1.85 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 123 L 8.16 3.62 0.00 1.41 1.61 0.83 1.03 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 0.00 124 E 8.16 3.93 0.00 2.09 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 0.00 2.33 2.28 0.00 125 N 8.26 4.86 0.00 3.05 3.14 0.00 0.00 6.90 7.44 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 0.00 126 H 7.90 5.13 0.00 3.11 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.14 4.44 0.00 2.34 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 2.62 2.75 0.00 128 G 8.78 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 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0.00 0.00 0.00 0.00 184 E 8.62 4.01 0.00 2.11 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 2.32 2.28 0.00 185 Q 7.17 4.67 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 186 K 8.03 4.62 0.00 1.58 1.64 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.34 7.81 187 V 7.87 3.66 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 -0.55 0.00 0.00 0.11 0.00 0.00 188 T 7.80 4.50 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 1.17 0.00 0.00 189 G 8.73 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 0.00 190 D 8.72 4.17 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 G 9.03 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 0.00 192 W 7.18 4.95 0.00 3.35 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 0.00 193 S 9.31 4.45 0.00 4.06 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 0.00 194 E 8.61 3.99 0.00 1.97 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 0.00 2.34 2.33 0.00 195 C 8.22 4.36 0.00 2.99 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 0.00 196 A 7.84 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 197 K 7.69 4.20 0.00 1.89 1.85 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.29 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.77 7.81 198 R 7.92 4.19 0.00 1.92 1.95 0.00 3.29 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 199 G 7.68 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 0.00 0.00 0.00 0.00 200 L 7.96 4.48 0.00 1.80 1.38 0.74 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.89 5.18 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 0.00 202 V 8.57 4.66 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 1.09 0.00 0.00 1.00 0.00 0.00 203 K 8.89 4.16 0.00 1.51 1.53 0.00 1.60 0.00 0.00 1.21 0.00 0.00 2.37 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.89 0.87 7.81 204 P 0.00 3.16 0.00 1.97 1.82 0.00 3.37 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 205 I 7.83 4.78 2.06 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.93 0.00 0.00 206 K 9.04 4.12 0.00 1.80 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.63 1.63 7.81 207 G 9.38 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 0.00 208 D 8.01 5.26 0.00 2.97 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 0.00 209 A 9.10 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 8.62 4.76 0.00 1.79 1.67 1.07 0.88 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 *212 F 8.25 4.99 0.00 3.25 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 0.00 213 Y 8.94 5.12 0.00 3.00 3.21 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 0.00 214 S 9.30 4.99 0.00 4.00 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 0.00 215 L 7.89 5.29 0.00 1.73 1.74 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 216 K 8.77 4.37 0.00 1.98 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.59 7.81 217 P 0.00 4.24 0.00 2.04 2.13 0.00 3.69 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 2.08 0.00 218 D 8.07 4.47 0.00 2.78 2.78 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 0.00 219 G 8.37 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 0.00 0.00 0.00 220 S 8.22 4.49 0.00 3.95 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 0.00 221 N 8.71 4.62 0.00 2.77 2.80 0.00 0.00 6.83 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 D 8.98 4.91 0.00 2.85 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 0.00 223 P 0.00 4.29 0.00 2.27 2.31 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 224 A 8.04 4.24 1.41 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 0.00 0.00 225 S 8.17 4.37 0.00 4.45 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 L 7.71 4.13 0.00 1.74 1.61 0.95 1.32 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 0.00 227 H 8.58 5.16 0.00 3.22 3.05 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 S 8.38 5.20 0.00 3.65 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 C 9.35 4.57 0.00 3.06 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 0.00 231 P 0.00 4.63 0.00 2.07 1.99 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 232 T 8.51 4.34 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 0.00 233 L 8.67 4.49 0.00 1.51 1.70 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 234 K 8.84 4.22 0.00 1.78 1.69 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.39 7.81 235 G 8.38 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 D 8.46 4.51 0.00 2.68 2.68 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 0.00 237 K 8.81 4.70 0.00 1.94 1.80 0.00 1.79 0.00 0.00 1.45 0.00 0.00 2.67 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.61 7.81 238 W 9.19 5.47 0.00 3.34 3.12 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 0.00 239 S 9.62 5.20 0.00 3.87 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 0.00 240 A 8.49 5.29 1.21 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 0.00 0.00 0.00 241 T 9.06 4.16 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 -0.21 0.00 0.00 242 K 8.08 4.66 0.00 1.69 1.40 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.36 7.81 243 W 8.84 5.11 0.00 3.70 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 0.00 244 I 8.55 5.04 1.74 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.68 0.79 0.00 0.00 245 H 9.05 5.27 0.00 3.26 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 V 8.64 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 0.73 0.00 0.00 1.05 0.00 0.00 247 A 8.01 4.90 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 0.00 248 P 0.00 4.49 0.00 2.09 1.99 0.00 3.61 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 2.12 2.14 0.00 249 I 8.52 4.11 1.88 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 1.11 0.45 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.