NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 G 3.9564 8.1600 107.8365 46.3506 0.0000 172.4565 11 Q 5.0183 8.5003 124.5409 53.0585 32.1006 171.6230 12 I 4.5664 8.7595 119.9624 59.1351 41.0336 173.7748 13 R 5.0362 8.3185 123.8450 54.5977 32.4884 175.0322 14 I 3.9910 8.7330 127.5892 61.3698 37.9343 177.0442 15 I 3.7403 8.9955 128.2266 63.0837 37.5404 175.7018 16 G 4.0325 8.1811 106.5684 44.3603 0.0000 172.0472 17 G 3.5464 8.3590 105.4550 44.5032 0.0000 173.9988 18 Q 3.8947 7.4264 116.4813 58.2333 28.7997 177.0688 19 W 4.8499 7.8001 118.1791 56.0424 29.3571 175.1240 20 R 3.7816 7.4159 118.3447 58.2421 29.3179 176.7333 21 G 3.9745 9.5379 114.5705 45.3594 0.0000 173.4684 22 R 4.2235 8.1004 119.7422 55.9204 31.4675 175.6316 23 K 5.0416 8.5440 121.5494 54.6085 34.7668 175.4434 24 L 4.8930 8.8125 125.1368 51.9185 45.2093 174.1071 25 P 4.9253 0.0000 0.0000 62.8717 31.9058 175.9227 26 V 4.4572 8.5435 116.8893 59.0937 34.8337 175.1865 27 P 4.0734 0.0000 0.0000 65.6354 31.6465 177.9875 *31 G 4.0288 8.0169 104.6923 45.1655 0.0000 173.3778 32 L 4.2358 7.6985 119.3207 54.3591 41.3672 176.8385 33 R 4.0829 8.4246 118.3530 55.9879 29.7875 174.9669 34 P 4.5875 0.0000 0.0000 64.0902 32.2438 176.6009 35 T 4.3690 8.5407 108.5414 62.8673 70.5524 173.6585 36 T 4.4884 7.5595 107.4715 59.0078 68.3226 171.3682 37 D 4.9022 8.2404 121.0249 54.4501 41.4014 179.0595 38 R 3.9284 8.0654 118.9624 58.9547 29.2702 177.5009 39 V 3.1908 8.1964 120.1744 66.1850 31.3726 178.2490 40 R 3.9617 7.6609 117.0242 58.9687 29.9680 178.4240 41 E 3.8452 7.6819 117.8056 59.5923 29.7535 178.8446 42 T 3.2803 7.7389 115.8230 66.3912 68.4531 176.2696 43 L 3.4698 7.5143 122.1179 58.0354 41.9150 178.6975 44 F 4.2886 8.0251 115.1720 58.9405 39.1442 177.0106 45 N 4.4938 8.0512 117.8623 56.3605 38.5556 176.7184 46 W 4.4767 7.6017 119.1777 59.7334 29.4715 177.8206 47 L 4.3310 8.1313 117.0287 55.4993 41.0830 178.5300 48 A 4.1008 7.5648 122.4034 55.0185 18.2921 177.2487 49 P 4.5098 0.0000 0.0000 64.2928 31.6196 177.2216 50 V 4.4194 7.9222 109.6053 60.7248 33.6485 176.6551 51 I 3.8820 7.9078 120.8941 63.7220 38.1727 176.1370 52 V 4.0553 7.7213 119.5361 64.3930 31.5253 175.1002 53 D 4.5366 9.3478 125.7667 54.7243 39.1743 173.7782 54 A 4.3697 7.8994 122.3106 51.9482 19.9088 177.1054 55 Q 4.7851 9.5334 124.1015 55.5404 30.3837 174.1948 56 C 5.3470 9.1541 124.7163 57.8329 31.5817 172.6740 57 L 4.9742 8.5947 124.7890 53.2241 44.6083 174.3642 58 D 5.3510 9.1330 126.9100 52.8361 42.3013 176.3461 59 C 3.8788 8.9545 125.3475 61.7778 28.6712 174.8092 60 F 4.7686 7.9459 116.0015 55.2338 39.3214 174.0344 61 A 4.4382 8.9466 127.3894 52.5639 19.8567 179.4261 62 G 4.1186 8.4589 104.9646 46.1891 0.0000 176.3248 63 S 4.0155 8.9198 117.8678 59.6928 62.7517 175.8889 64 G 3.8380 8.5739 108.7655 45.9688 0.0000 174.7465 65 A 3.9090 7.8580 122.8417 55.2892 18.1636 180.5210 66 L 3.9284 7.7732 116.5317 57.7446 41.8481 179.4054 67 G 3.8847 8.0320 105.1403 48.2364 0.0000 175.4560 68 L 4.1637 8.5182 122.1308 57.1704 41.5841 179.2387 69 E 3.6151 7.9124 119.1597 58.9004 29.4557 178.5994 70 A 4.0508 8.1987 121.1377 55.3707 18.5660 179.4650 71 L 3.8907 8.0930 117.3660 58.1293 41.6611 179.7518 72 S 2.7900 8.0889 112.9498 60.6420 61.9128 175.3072 73 R 4.1310 7.1066 118.5001 56.0328 30.3814 175.9909 74 Y 3.5077 7.0881 114.7503 58.5856 35.5474 169.1139 75 A 4.6069 7.6800 120.5518 52.4482 18.5456 178.8716 76 A 4.1289 8.9214 122.8378 54.9765 19.1264 178.1511 77 G 4.6799 7.6950 98.9829 45.3409 0.0000 172.6084 78 A 5.3396 8.1259 121.4890 50.4708 22.9567 174.9806 79 T 4.7446 9.1170 119.7666 61.9540 70.8866 173.7041 80 L 5.0467 8.8449 127.0286 52.9973 44.5295 175.3913 81 I 4.5754 8.6426 125.6172 59.5620 39.6392 174.7763 82 E 4.5086 8.6711 126.8444 54.9360 34.1551 172.8314 *84 D 4.5821 8.4935 118.4310 53.8238 42.1332 175.9220 85 R 3.8817 8.6773 126.4288 59.5407 30.1937 178.2422 86 A 4.0040 8.0291 120.1656 54.9864 18.4366 179.6883 87 V 3.5425 8.3552 117.2369 66.1569 31.7401 178.4938 88 S 4.1209 8.4539 114.4850 61.5211 62.8846 176.5311 89 Q 3.9683 8.1243 121.7438 58.7990 28.3688 178.4180 90 Q 3.9631 7.9805 120.2202 58.7204 29.0019 177.7761 91 L 3.8852 8.0471 121.6433 58.2873 42.1449 178.9569 92 I 3.6637 7.6038 119.3821 64.4977 36.9590 178.6209 93 K 3.9738 7.9450 118.8384 59.4767 31.8625 179.2400 94 N 4.2410 8.4314 117.1335 56.1562 38.3215 177.4386 95 L 3.8174 8.0624 120.3016 57.6341 41.7117 179.4818 96 A 3.9205 7.8822 120.6047 55.3538 18.1047 179.6530 97 T 3.7377 7.8164 113.4777 66.8485 68.7010 176.3074 98 L 3.7040 7.5502 117.5566 54.3052 41.7844 177.0241 99 K 3.6651 7.6091 117.0950 57.2582 29.9420 176.2576 100 A 4.5409 8.0531 123.8304 51.1148 17.5533 178.3901 101 G 3.8401 8.5076 110.8617 48.1891 0.0000 171.6245 102 N 4.9624 8.0315 118.3081 52.4739 37.4126 174.3853 103 A 5.3312 7.7756 118.3567 52.1660 22.7838 176.7462 104 R 4.7017 8.8117 114.7326 54.5367 33.4987 174.0740 105 V 4.6799 8.4019 120.5318 61.2094 33.7444 174.5584 106 V 4.1633 8.6592 128.4873 61.2107 33.5377 174.3365 107 N 5.6538 8.7438 127.3919 52.2768 37.7295 173.4053 108 S 4.8126 7.8825 117.3300 56.2483 65.8903 173.0779 109 N 4.5882 8.7671 121.4495 52.4686 38.1575 175.9227 110 A 4.0698 8.1587 120.3296 52.7113 18.1821 180.2078 *112 S 4.4038 8.2883 116.8018 60.2758 64.8978 176.3148 113 F 4.2045 7.9293 120.7369 61.2148 39.0624 176.2083 114 L 3.8004 7.8427 118.0893 56.2938 42.2205 177.4914 115 A 4.4832 7.2614 123.1040 49.5806 17.0725 175.2144 116 Q 4.4781 7.2961 118.8595 53.8979 31.7004 174.6513 117 K 3.6849 8.5450 120.3954 56.9122 32.4610 176.4913 118 G 2.0000 7.9895 115.7514 44.1945 0.0000 172.0287 119 T 4.7073 6.8157 113.1348 59.1433 70.5356 171.2605 120 P 4.8393 0.0000 0.0000 63.0764 32.5642 175.0769 121 H 4.9844 8.9831 119.1978 54.1907 31.9745 174.7075 122 N 4.5508 8.9467 119.2465 55.7339 39.9572 175.4369 123 I 4.8906 7.6070 118.7513 59.3308 41.3263 174.7250 124 V 4.6485 8.5788 126.5560 60.9651 34.8845 173.8986 125 F 5.3964 9.2003 126.6346 56.1884 41.3205 175.0685 126 V 4.9760 9.4705 124.0614 60.5913 32.2667 172.6212 127 D 5.5291 8.5424 125.8694 51.0627 39.0314 173.1086 128 P 2.9700 0.0000 0.0000 60.5048 32.3815 176.7776 129 P 4.2365 0.0000 0.0000 65.2197 31.3861 176.0354 130 F 4.8129 6.1422 109.9338 55.8393 40.9775 174.1903 131 R 4.1823 8.6794 117.6783 58.3376 30.2579 177.1544 132 R 4.1393 7.8794 117.7445 57.0435 30.2794 177.0342 133 G 4.1592 9.3682 111.7230 45.2714 0.0000 173.5493 134 L 4.5970 7.7496 116.8718 55.9469 44.4277 178.2601 135 L 3.9214 8.2690 120.2330 58.0804 41.9980 178.3163 136 E 3.8219 8.1414 118.5312 59.4122 29.4638 178.6406 137 E 3.9546 8.1265 117.7746 59.7726 29.6063 179.2928 138 T 3.8832 8.2261 115.8674 66.7391 68.5816 176.5690 139 I 3.7526 7.8406 121.6275 64.7367 37.0623 178.3084 140 N 4.2918 8.2032 117.0576 56.1393 38.3531 177.5565 141 L 4.0756 8.2336 120.6612 57.6938 41.4019 179.4617 142 L 4.2909 8.2140 118.9854 58.0145 41.4375 179.2865 143 E 4.2601 8.2174 117.7678 59.5742 29.7198 178.2416 144 D 4.6169 8.4089 117.8678 56.1345 41.1548 176.9735 145 N 4.7205 8.2390 115.4370 52.7880 38.8623 175.6971 146 G 3.8307 8.2540 104.8413 46.1381 0.0000 175.0624 147 W 5.0834 7.7574 118.3212 57.1819 30.0845 175.7869 148 L 5.2954 7.8139 119.6422 52.3740 43.6168 176.4214 149 A 4.1575 8.9914 125.6036 51.9550 19.3246 177.8316 150 D 4.3548 8.9272 118.8565 56.4085 42.0814 177.5504 151 E 5.2281 8.0231 117.8563 54.2420 30.0365 176.2262 152 A 4.3344 7.9728 119.1662 52.1008 20.0944 177.2785 153 L 4.9521 8.7460 120.0370 52.9205 44.6733 175.6861 154 I 4.7374 8.5201 124.8260 59.5316 40.0435 174.0585 155 Y 5.0932 9.0064 129.9428 57.0993 40.1938 174.2122 156 V 4.7379 8.8754 126.8004 61.0799 34.5902 173.4435 157 E 4.9534 8.5387 129.9030 54.4890 31.0025 174.9872 158 S 4.6798 8.5529 120.4588 56.7547 66.9411 173.5797 159 E 4.5274 8.5675 119.0490 56.3409 29.9635 177.2642 160 V 3.4222 8.4480 115.9641 62.2800 31.9402 174.1646 161 E 4.2982 8.7405 120.3648 56.4512 32.1486 173.2369 *165 P 4.2361 0.0000 0.0000 62.6394 33.0288 176.2197 166 T 4.3869 8.2761 110.8253 60.1814 69.9867 174.3011 167 V 3.9453 7.7168 118.4664 57.9079 35.4459 173.6541 168 P 4.1222 0.0000 0.0000 62.4097 31.6247 177.6973 169 A 4.0366 8.5340 123.7695 54.9408 18.4982 178.2401 170 N 4.8652 8.2514 111.6945 52.6432 37.8665 173.7980 171 W 5.4473 8.2598 119.5442 55.4777 30.8876 175.7526 172 S 4.9844 9.0822 118.5946 56.0525 65.9793 173.0512 173 L 3.7574 8.7855 124.8158 56.0088 41.6985 175.3749 174 H 4.6670 8.8997 127.1517 57.7279 31.1159 175.2723 175 R 4.3810 7.0459 114.7829 54.5092 34.5761 173.8690 176 E 5.0830 8.2901 121.5466 54.8014 33.0164 173.9436 177 K 4.7931 9.9586 128.1083 54.6633 35.4221 174.5012 178 V 4.9002 8.7401 126.8502 61.1087 33.5806 174.4668 179 A 4.7376 9.1363 131.1208 51.0376 22.0341 176.7985 180 G 3.8309 8.5963 113.5436 47.6153 0.0000 173.8283 181 Q 4.4093 8.9320 123.8893 55.1438 29.1282 173.9839 182 V 4.5915 7.7814 119.6309 60.9005 34.0671 174.1225 183 A 4.8520 8.7682 130.4442 50.9454 21.0182 175.3527 184 Y 5.0929 9.5945 120.3430 56.4366 40.8849 175.0595 185 R 5.0063 9.1870 123.6778 54.0389 34.6133 174.5113 186 L 5.1433 8.4727 124.7291 53.6658 44.5103 174.7111 187 Y 5.0737 9.1727 124.7318 56.6371 40.6266 174.3562 188 Q 4.8028 8.9323 124.2644 54.4416 31.1371 174.7255 189 R 4.7991 9.0025 127.4350 55.3629 32.0211 174.6120 190 E 4.9494 8.7485 121.3079 53.9284 32.3206 175.6103 191 A 4.2564 8.3590 123.9813 51.5188 19.3556 177.7282 192 Q 4.3406 8.6427 117.3022 56.7523 28.0784 173.3985 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 10 G 8.16 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 11 Q 8.50 5.02 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 12 I 8.76 4.57 1.84 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 1.07 1.07 0.89 0.00 0.00 13 R 8.32 5.04 0.00 1.78 1.79 0.00 3.21 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 14 I 8.73 3.99 2.12 0.00 0.00 1.00 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 0.95 0.97 0.00 0.00 15 I 9.00 3.74 1.77 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 1.18 0.43 0.85 0.00 0.00 16 G 8.18 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 0.00 0.00 0.00 17 G 8.36 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.43 3.89 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.29 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 19 W 7.80 4.85 0.00 3.42 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 20 R 7.42 3.78 0.00 1.94 1.90 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 21 G 9.54 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.10 4.22 0.00 1.94 1.81 0.00 3.12 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 23 K 8.54 5.04 0.00 1.57 1.67 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.40 7.81 24 L 8.81 4.89 0.00 1.46 1.59 0.77 0.58 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 25 P 0.00 4.93 0.00 2.04 2.03 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 26 V 8.54 4.46 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 0.78 0.00 0.00 0.95 0.00 0.00 27 P 0.00 4.07 0.00 2.03 2.10 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 *31 G 8.02 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 0.00 0.00 0.00 32 L 7.70 4.24 0.00 1.78 1.69 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.42 4.08 0.00 1.94 2.01 0.00 3.08 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.69 0.00 34 P 0.00 4.59 0.00 2.32 2.28 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 35 T 8.54 4.37 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 1.40 0.00 0.00 36 T 7.56 4.49 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 1.21 0.00 0.00 37 D 8.24 4.90 0.00 2.74 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 38 R 8.07 3.93 0.00 1.91 2.11 0.00 2.90 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.48 0.00 39 V 8.20 3.19 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 1.09 0.00 0.00 0.73 0.00 0.00 40 R 7.66 3.96 0.00 2.00 1.96 0.00 3.23 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 41 E 7.68 3.85 0.00 2.00 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 2.18 2.27 0.00 42 T 7.74 3.28 3.81 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 0.06 0.00 0.00 43 L 7.51 3.47 0.00 1.16 1.21 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.03 4.29 0.00 3.15 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 45 N 8.05 4.49 0.00 2.75 2.81 0.00 0.00 7.05 8.03 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 46 W 7.60 4.48 0.00 3.59 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 47 L 8.13 4.33 0.00 1.72 1.76 0.62 0.96 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 48 A 7.56 4.10 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 49 P 0.00 4.51 0.00 2.09 2.14 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 50 V 7.92 4.42 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 0.68 0.00 0.00 0.98 0.00 0.00 51 I 7.91 3.88 2.16 0.00 0.00 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 1.55 1.36 1.03 0.00 0.00 52 V 7.72 4.06 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 0.86 0.00 0.00 1.05 0.00 0.00 53 D 9.35 4.54 0.00 2.86 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 54 A 7.90 4.37 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 55 Q 9.53 4.79 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 56 C 9.15 5.35 0.00 3.11 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 57 L 8.59 4.97 0.00 1.20 1.28 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.13 5.35 0.00 3.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 67 G 8.03 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 68 L 8.52 4.16 0.00 1.69 1.77 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.91 3.62 0.00 1.85 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 1.47 1.47 0.00 70 A 8.20 4.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.09 3.89 0.00 2.16 1.99 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.09 2.79 0.00 4.00 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 73 R 7.11 4.13 0.00 1.70 1.89 0.00 3.02 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 74 Y 7.09 3.51 0.00 3.22 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 75 A 7.68 4.61 1.40 0.00 0.00 0.00 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0.00 0.00 93 K 7.95 3.97 0.00 1.93 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.72 7.81 94 N 8.43 4.24 0.00 2.77 2.74 0.00 0.00 7.03 7.27 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 95 L 8.06 3.82 0.00 1.82 1.67 0.91 0.75 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 96 A 7.88 3.92 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 97 T 7.82 3.74 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 1.09 0.00 0.00 98 L 7.55 3.70 0.00 0.92 0.28 0.20 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.61 3.67 0.00 1.94 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.32 7.81 100 A 8.05 4.54 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 0.00 101 G 8.51 3.84 0.00 0.00 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1.62 0.92 0.70 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 0.00 136 E 8.14 3.82 0.00 2.03 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 2.32 2.32 0.00 137 E 8.13 3.95 0.00 2.32 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 2.43 2.48 0.00 138 T 8.23 3.88 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 1.29 0.00 0.00 139 I 7.84 3.75 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.05 0.00 0.00 140 N 8.20 4.29 0.00 2.79 2.83 0.00 0.00 7.10 6.35 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 0.00 141 L 8.23 4.08 0.00 1.86 1.82 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.21 4.29 0.00 2.16 2.00 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.22 4.26 0.00 2.19 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 2.35 2.47 0.00 144 D 8.41 4.62 0.00 2.81 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 0.00 145 N 8.24 4.72 0.00 3.16 2.89 0.00 0.00 6.86 7.57 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 0.00 146 G 8.25 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 7.76 5.08 0.00 3.59 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 0.00 148 L 7.81 5.30 0.00 1.55 1.54 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.99 4.16 1.23 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 0.00 150 D 8.93 4.35 0.00 2.60 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 0.00 151 E 8.02 5.23 0.00 1.90 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 2.17 2.13 0.00 152 A 7.97 4.33 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 L 8.75 4.95 0.00 1.49 1.51 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.52 4.74 1.49 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.26 1.03 0.00 0.00 155 Y 9.01 5.09 0.00 3.30 3.30 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 0.00 156 V 8.88 4.74 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 1.02 0.00 0.00 1.23 0.00 0.00 157 E 8.54 4.95 0.00 1.91 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 2.09 1.94 0.00 158 S 8.55 4.68 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.57 4.53 0.00 1.97 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 2.26 2.32 0.00 160 V 8.45 3.42 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 0.62 0.00 0.00 0.99 0.00 0.00 161 E 8.74 4.30 0.00 1.85 1.70 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 2.17 2.20 0.00 *165 P 0.00 4.24 0.00 2.28 2.11 0.00 3.59 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 2.14 0.00 166 T 8.28 4.39 4.17 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 1.16 0.00 0.00 167 V 7.72 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.85 0.00 0.00 168 P 0.00 4.12 0.00 1.95 1.79 0.00 2.20 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.60 0.00 169 A 8.53 4.04 1.29 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 0.00 0.00 170 N 8.25 4.87 0.00 3.17 3.12 0.00 0.00 6.19 8.88 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 0.00 171 W 8.26 5.45 0.00 3.12 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 0.00 172 S 9.08 4.98 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.79 3.76 0.00 1.60 1.57 0.38 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 174 H 8.90 4.67 0.00 3.00 3.29 0.00 5.97 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 0.00 175 R 7.05 4.38 0.00 0.67 0.66 0.00 3.01 0.00 0.00 2.89 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 176 E 8.29 5.08 0.00 1.80 1.70 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 2.24 2.34 0.00 177 K 9.96 4.79 0.00 2.09 1.97 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.52 1.47 7.81 178 V 8.74 4.90 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 0.92 0.00 0.00 0.97 0.00 0.00 179 A 9.14 4.74 1.42 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 0.00 180 G 8.60 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.93 4.41 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.61 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 182 V 7.78 4.59 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 0.36 0.00 0.00 0.88 0.00 0.00 183 A 8.77 4.85 1.19 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 0.00 0.00 184 Y 9.59 5.09 0.00 3.20 3.27 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 0.00 185 R 9.19 5.01 0.00 1.79 1.38 0.00 3.14 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 186 L 8.47 5.14 0.00 1.43 1.01 1.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 9.17 5.07 0.00 2.78 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 0.00 188 Q 8.93 4.80 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 189 R 9.00 4.80 0.00 1.29 1.62 0.00 2.96 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 190 E 8.75 4.95 0.00 1.96 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 0.00 2.32 2.26 0.00 191 A 8.36 4.26 1.30 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 0.00 0.00 0.00 192 Q 8.64 4.34 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.60 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.