NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.3461 8.2827 118.1819 52.2200 39.0444 174.2793 6 R 3.2622 7.8246 116.6911 59.1690 29.6726 175.1756 7 E 3.9285 9.0917 119.6747 59.8153 29.9227 178.9908 8 T 3.8286 8.0237 115.2215 66.6423 68.4224 176.7134 9 V 3.6327 7.4683 120.0861 65.8779 31.4798 178.3054 10 I 3.6400 7.6748 119.6183 64.6010 37.1225 178.3474 11 T 3.8243 8.1866 117.0157 66.7240 68.1820 176.2227 12 E 3.9040 8.2013 120.8116 59.0264 29.6596 178.5890 13 A 3.9216 8.1409 120.9841 55.2533 18.4065 179.4150 14 L 3.8787 8.0935 117.6773 58.0919 41.5990 179.3995 15 D 4.3404 7.9124 118.2352 57.4245 40.7487 178.8515 16 L 3.8877 8.1481 120.8086 57.9558 42.1428 178.4308 17 L 3.8894 8.4223 120.6265 58.5416 41.7398 178.6646 18 D 4.3697 8.0018 117.2572 57.4989 40.7983 178.5348 19 E 4.1723 8.2153 118.2392 58.6255 29.6884 178.7477 20 V 4.3652 7.6599 108.2493 59.2865 33.1991 176.4599 21 G 3.9756 8.0210 109.2642 44.2145 0.0000 174.7833 22 L 3.9463 8.9443 120.5950 58.0978 42.0763 179.0082 23 D 4.4043 8.1180 117.1123 56.8302 40.8508 177.1165 24 G 3.7604 7.7185 105.8132 45.5188 0.0000 173.6147 25 V 4.0086 7.5984 121.2019 61.6984 31.5853 175.7883 26 S 4.7120 8.1206 121.4732 55.8724 67.4404 174.3279 27 T 3.7451 8.5544 117.0215 65.4574 66.8161 176.3360 28 R 3.8806 7.8803 119.9491 59.5456 30.2911 178.3148 29 R 3.8676 7.9007 118.4560 59.2723 29.9369 178.2568 30 L 3.9119 8.4020 120.4921 57.8466 42.1256 178.7067 31 A 3.9771 8.1290 120.8190 55.0234 18.2972 179.1287 32 K 3.7470 8.1861 118.2706 59.9298 31.9923 178.4710 33 R 3.8883 7.9248 117.4569 59.6850 30.0939 177.9160 34 L 4.2587 8.1172 115.7399 54.6982 41.8998 176.9536 35 G 3.9351 8.5013 107.4129 46.0891 0.0000 174.0045 36 V 4.5106 7.5935 116.0418 59.8800 34.3513 174.0712 37 E 4.6136 8.4010 120.3875 54.9698 31.6424 177.3267 38 Q 4.1427 8.8316 118.8778 59.1432 28.6359 177.4290 39 P 4.4084 0.0000 0.0000 66.1553 31.1130 178.5178 40 S 4.2111 7.6867 111.8854 61.7149 63.0800 176.3125 41 L 4.3703 7.8825 122.4040 58.2049 41.8322 177.9512 42 Y 4.9006 8.1862 116.4759 58.6495 37.8701 177.1734 43 W 4.0181 8.1111 130.2647 60.7513 30.6981 176.4301 44 Y 4.3583 7.7566 114.0342 59.7154 38.0580 175.6904 45 F 4.8835 7.9684 118.7124 55.5612 41.1981 176.0889 46 R 4.1666 9.1516 126.1174 58.5027 30.3317 177.6453 47 T 4.8695 8.6287 107.7029 59.2255 72.7842 174.6582 48 K 3.7731 8.7879 122.0604 60.1693 31.8647 178.5160 49 R 4.0371 8.1604 118.4208 58.8344 29.9833 178.0746 50 D 4.4543 8.1846 118.6469 57.2242 40.6876 178.2295 51 L 2.9008 7.3965 119.4026 57.9127 42.1717 178.6126 52 L 4.0410 7.5861 117.3059 58.0378 41.7643 179.3175 53 T 4.1473 8.3862 116.8643 65.9005 68.3443 177.4923 54 A 4.2845 7.7684 119.1791 52.7857 17.3933 178.9345 *56 A 4.2107 7.9645 125.4767 53.9154 20.6665 180.2551 57 Q 4.0807 8.4528 113.7121 59.1340 28.9993 177.7849 58 A 4.0877 8.1612 119.4717 55.2170 18.6459 179.9114 59 A 4.1639 7.1089 120.1660 51.7620 17.4067 178.2821 *61 A 4.4525 8.0490 125.5952 52.6407 20.9345 178.1366 62 P 4.2477 0.0000 0.0000 65.7233 31.2652 178.1527 63 H 4.2601 8.3602 116.4671 58.7318 29.5428 175.9600 64 A 4.3012 7.9188 120.1967 52.6993 18.5476 178.3361 65 A 4.1082 7.8752 119.3169 52.5334 18.9008 177.4900 66 E 4.1515 7.5412 119.1999 54.5901 30.4355 174.7737 67 P 4.4069 0.0000 0.0000 62.3755 32.0484 176.3697 68 L 4.2967 8.2124 121.4922 53.6417 42.2727 175.3218 69 P 4.1296 0.0000 0.0000 62.7483 31.7148 175.1382 70 E 4.5341 8.6793 120.3552 53.4228 31.3351 173.7439 71 P 4.5964 0.0000 0.0000 64.3139 31.8858 175.8805 72 G 4.1706 9.1747 110.8265 45.4690 0.0000 173.8805 73 E 4.1534 7.6574 115.9980 55.5659 30.4473 176.0225 74 D 4.4278 8.8634 119.8171 54.5224 41.4265 177.3535 75 W 4.8476 8.9950 125.3683 59.7690 28.1044 177.7710 76 H 2.6247 7.4187 118.9296 58.4648 29.3758 177.2346 77 G 3.5943 8.2614 107.6067 47.3784 0.0000 175.2605 78 W 4.1474 8.2675 130.7141 60.3962 30.8344 177.7391 79 F 3.5253 8.9200 120.4943 61.0651 38.6897 177.1181 80 L 3.9508 7.9199 118.0280 57.8498 41.5188 179.2834 81 R 3.7958 7.7742 117.9326 59.5447 30.1313 178.5617 82 N 4.0180 7.5397 116.6187 56.8677 38.6758 177.0626 83 T 3.8173 7.3600 116.9269 66.4175 68.5426 176.9863 84 R 3.8947 8.1008 120.2860 59.3973 30.1293 178.8974 85 S 4.0907 8.4623 113.1989 61.2989 62.3889 176.0398 86 F 3.7941 7.9543 123.0668 61.1448 39.0629 177.0081 87 R 3.6497 8.1227 118.3312 59.5809 29.8574 178.7059 88 R 3.8644 7.9614 117.7263 59.3888 29.8192 179.0293 89 T 3.7411 7.7841 115.5342 66.5873 68.3596 176.3551 90 L 3.7336 7.2678 120.0310 57.9327 41.4738 179.6205 91 L 3.9682 7.8663 118.8106 58.0388 42.0685 178.6026 92 A 4.0336 8.2249 120.3381 53.3900 18.6480 177.5397 93 R 4.2101 6.7912 117.2254 54.7196 31.1254 176.0694 94 R 3.8479 8.4803 125.4393 57.7391 30.5735 175.5612 95 D 4.4377 8.9476 124.3838 55.3490 38.9482 176.4567 96 G 3.6456 8.5827 108.1577 47.3009 0.0000 175.7073 97 A 3.9512 7.7979 122.9305 54.9529 18.6323 179.7350 98 R 3.8392 7.9143 116.1241 59.2140 29.9292 178.7765 99 L 3.9291 8.0410 119.6231 58.5416 42.1521 178.2982 100 H 4.2678 8.0557 116.6637 59.0793 29.9027 176.6431 101 A 4.3759 8.2061 121.4213 53.8530 18.6288 178.7081 102 G 3.9598 7.6457 102.2318 44.2362 0.0000 173.2247 103 S 4.6400 7.0491 114.4116 56.7987 66.1118 172.5108 104 R 4.6100 8.2889 121.4074 54.1296 31.4245 174.7332 105 P 4.5717 0.0000 0.0000 62.7845 33.7988 175.4143 *108 D 4.7269 8.5193 113.8929 53.6880 42.3401 173.5394 109 L 4.0382 7.9987 119.0024 58.6230 42.0365 178.3545 110 D 4.3791 8.1715 118.3661 57.6268 40.8101 178.7321 111 R 3.8950 8.0619 118.4188 59.4064 29.8340 178.5269 112 V 3.6263 7.9142 117.4819 65.9535 31.6456 177.6638 113 R 4.0281 8.0203 117.3549 59.3950 30.3772 177.7575 114 R 4.1200 8.2397 118.8792 59.5602 30.0319 179.4426 115 K 4.2689 7.9097 116.7194 56.8035 32.0921 178.8623 *117 D 4.5274 8.1021 120.9896 54.4399 43.1862 177.7567 118 F 4.0224 8.0554 120.0981 61.1972 39.3552 177.1260 119 L 3.5386 7.5840 117.8657 57.7646 41.6110 179.5903 120 V 4.1548 7.9063 118.6191 65.5341 31.2164 177.7570 121 A 3.9796 7.9038 119.3443 54.6524 18.2572 178.8238 122 S 4.3223 7.1733 111.3064 58.6743 63.1362 174.9854 123 G 3.8126 7.4960 110.2298 45.0422 0.0000 173.4200 124 V 3.6909 7.2560 120.1562 60.5514 32.2200 173.9619 125 P 4.5039 0.0000 0.0000 62.1927 33.1195 176.6446 126 E 3.7534 8.5845 122.3209 59.6444 29.4762 179.3839 127 R 3.8055 7.8285 116.9034 60.0480 30.2222 177.8338 128 H 4.2797 7.9136 113.6386 58.4706 28.7847 177.2549 129 A 4.1787 8.0774 122.4656 55.1972 18.3100 179.8537 130 Q 4.0144 7.8754 111.0401 57.3371 28.7585 177.1500 *132 A 4.2253 7.6774 121.8332 52.1766 20.4042 178.9155 *134 L 4.2145 7.8746 119.9692 56.0991 43.8468 179.2355 135 A 4.0284 8.1591 119.4248 55.2361 18.3709 179.2486 136 A 4.2081 8.4117 119.5054 55.5105 18.4767 180.1544 137 G 3.3941 7.9872 103.6367 47.8551 0.0000 176.0498 138 R 4.1637 8.3775 120.4667 58.7382 30.1606 178.6084 139 F 4.2295 8.6301 120.8131 61.7339 39.3825 177.1535 140 T 3.6295 8.2453 115.1420 66.6660 68.3552 176.2598 141 V 3.6489 8.4643 120.4950 66.2742 31.5820 178.0991 142 G 3.6575 8.2130 105.0125 48.0530 0.0000 174.9751 143 C 3.8173 8.0256 119.7706 62.6578 28.0422 176.6051 144 V 3.5622 7.6255 119.3225 65.3666 31.1733 177.4433 145 L 3.9982 7.7928 120.2740 58.4496 41.7748 178.8192 146 E 3.9010 7.9741 118.3771 59.0583 29.3497 178.1485 147 E 3.8746 7.9128 118.3441 59.6657 29.7927 178.7420 148 Q 4.0874 8.7620 117.3493 58.3876 28.7674 178.2277 149 A 4.1116 7.8875 121.7658 54.8482 18.6014 178.8317 150 E 4.2917 7.8633 115.6429 57.1421 30.4379 177.0034 *166 I 3.7702 7.1797 116.7901 59.7586 36.9069 180.7540 167 D 4.7627 8.1782 125.7169 52.2664 40.4550 176.0633 168 H 4.3082 8.3503 123.6422 58.1462 28.9877 176.8292 169 E 4.0553 8.2524 121.1379 59.4107 29.6033 178.9162 170 S 4.1921 8.5342 114.1054 61.0673 62.9866 176.2950 171 A 3.9627 8.0546 124.5503 54.9562 18.0861 179.0393 172 F 4.1289 8.6422 119.6133 61.7584 39.3866 177.2053 173 E 3.6501 8.5141 117.6942 59.2510 29.2640 179.2851 174 A 4.0287 8.2836 121.0798 55.1136 18.6015 179.9237 175 G 3.5167 8.2595 104.5559 47.8334 0.0000 175.7028 176 L 3.7783 7.8586 122.8313 57.6618 42.0218 178.9137 177 A 3.9142 8.0358 120.8820 54.8730 18.2128 179.3271 178 L 3.8437 7.8115 117.5723 58.1513 41.7770 179.8665 179 I 3.6103 7.4542 118.7526 64.8757 37.1138 178.7860 180 T 3.9063 7.9808 116.4993 66.6712 68.3616 176.6797 181 D 4.4823 8.7129 121.4913 57.1417 40.5907 178.8047 182 G 3.6903 8.1863 105.8758 47.8086 0.0000 175.1767 183 L 4.1702 7.8971 122.5834 57.8905 42.1651 178.8575 184 V 3.5652 8.1870 118.6455 66.4316 31.1320 178.0276 185 R 3.9842 7.6267 115.8312 58.7666 29.8822 177.0213 186 H 4.7748 8.0044 113.9711 55.4015 29.2061 175.0785 187 V 3.8914 7.6461 125.5712 63.0189 31.2675 175.4983 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 5 N 8.28 4.35 0.00 2.77 2.94 0.00 0.00 5.75 6.77 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 6 R 7.82 3.26 0.00 1.75 1.89 0.00 3.07 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.39 0.00 7 E 9.09 3.93 0.00 2.29 1.95 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 2.30 2.38 0.00 8 T 8.02 3.83 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 1.18 0.00 0.00 9 V 7.47 3.63 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 1.26 0.00 0.00 0.97 0.00 0.00 10 I 7.67 3.64 1.99 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 1.94 0.89 0.88 0.00 0.00 11 T 8.19 3.82 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 1.19 0.00 0.00 12 E 8.20 3.90 0.00 2.25 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 0.00 2.30 2.36 0.00 13 A 8.14 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.09 3.88 0.00 1.65 1.71 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.91 4.34 0.00 2.99 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 16 L 8.15 3.89 0.00 1.79 1.86 0.91 0.70 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 17 L 8.42 3.89 0.00 1.70 1.87 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.00 4.37 0.00 2.89 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 19 E 8.22 4.17 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 20 V 7.66 4.37 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 0.75 0.00 0.00 0.97 0.00 0.00 21 G 8.02 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 0.00 0.00 0.00 22 L 8.94 3.95 0.00 1.69 1.66 0.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.12 4.40 0.00 2.70 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 24 G 7.72 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 25 V 7.60 4.01 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 0.77 0.00 0.00 0.96 0.00 0.00 26 S 8.12 4.71 0.00 4.03 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 27 T 8.55 3.75 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 1.39 0.00 0.00 28 R 7.88 3.88 0.00 1.97 1.93 0.00 3.26 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 29 R 7.90 3.87 0.00 1.95 1.90 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 30 L 8.40 3.91 0.00 1.83 1.69 0.90 0.85 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 31 A 8.13 3.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.19 3.75 0.00 1.93 2.06 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 33 R 7.92 3.89 0.00 2.00 2.13 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 34 L 8.12 4.26 0.00 1.80 1.73 1.01 1.24 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 35 G 8.50 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 36 V 7.59 4.51 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 0.79 0.00 0.00 0.98 0.00 0.00 37 E 8.40 4.61 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 38 Q 8.83 4.14 0.00 2.27 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 39 P 0.00 4.41 0.00 2.22 2.17 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 40 S 7.69 4.21 0.00 4.08 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 41 L 7.88 4.37 0.00 1.86 1.58 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.19 4.90 0.00 3.11 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 43 W 8.11 4.02 0.00 2.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.76 4.36 0.00 2.63 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 0.00 0.00 0.00 45 F 7.97 4.88 0.00 3.08 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 46 R 9.15 4.17 0.00 2.07 2.05 0.00 3.16 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 47 T 8.63 4.87 4.32 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 1.28 0.00 0.00 48 K 8.79 3.77 0.00 1.95 1.93 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.59 7.81 49 R 8.16 4.04 0.00 1.97 1.93 0.00 3.16 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 50 D 8.18 4.45 0.00 3.15 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 51 L 7.40 2.90 0.00 1.31 1.75 0.29 0.88 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 52 L 7.59 4.04 0.00 1.77 1.69 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.39 4.15 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 54 A 7.77 4.28 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 *56 A 7.96 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.45 4.08 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.90 0.00 0.00 0.00 0.00 0.00 2.44 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 139 F 8.63 4.23 0.00 3.15 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.25 3.63 4.75 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 1.25 0.00 0.00 141 V 8.46 3.65 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 1.06 0.00 0.00 1.23 0.00 0.00 142 G 8.21 3.66 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 0.00 0.00 0.00 143 C 8.03 3.82 0.00 2.79 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 0.00 144 V 7.63 3.56 1.95 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 0.88 0.00 0.00 0.81 0.00 0.00 145 L 7.79 4.00 0.00 2.00 1.74 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.97 3.90 0.00 2.21 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 2.28 2.30 0.00 147 E 7.91 3.87 0.00 1.96 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 2.28 2.33 0.00 148 Q 8.76 4.09 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 149 A 7.89 4.11 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 0.00 150 E 7.86 4.29 0.00 2.10 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 2.30 2.44 0.00 *166 I 7.18 3.77 1.87 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 1.30 0.70 0.91 0.00 0.00 167 D 8.18 4.76 0.00 2.69 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 0.00 168 H 8.35 4.31 0.00 3.25 3.36 0.00 5.67 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 0.00 169 E 8.25 4.06 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 170 S 8.53 4.19 0.00 4.13 4.14 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 0.00 0.00 0.00 0.00 171 A 8.05 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 F 8.64 4.13 0.00 3.19 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 0.00 173 E 8.51 3.65 0.00 2.25 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 2.70 2.58 0.00 174 A 8.28 4.03 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 0.00 175 G 8.26 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.86 3.78 0.00 1.05 1.39 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.04 3.91 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 0.00 178 L 7.81 3.84 0.00 1.89 1.70 0.91 0.79 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 0.00 179 I 7.45 3.61 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.86 0.00 0.00 180 T 7.98 3.91 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 181 D 8.71 4.48 0.00 2.81 2.67 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 0.00 182 G 8.19 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.90 4.17 0.00 1.80 1.86 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 184 V 8.19 3.57 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 0.96 0.00 0.00 0.98 0.00 0.00 185 R 7.63 3.98 0.00 1.96 1.88 0.00 3.16 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 186 H 8.00 4.77 0.00 3.08 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.65 3.89 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.