NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1774 8.2644 123.5707 51.9551 20.0852 177.4667 3 K 3.8359 7.8384 123.1252 54.5979 30.7994 174.6260 4 F 5.0088 7.1071 118.9209 55.9952 40.6658 174.9438 5 V 4.7299 9.2715 119.1731 60.1308 34.7388 174.2483 6 I 5.2107 8.4122 123.4577 59.8712 39.7609 174.7789 7 R 4.6874 8.6586 121.1494 54.5424 33.1141 172.4577 8 P 4.8748 0.0000 0.0000 62.8404 32.0444 176.2699 9 A 4.7401 8.5525 124.1909 51.6899 20.1820 176.4023 10 T 4.5622 10.2192 113.1519 59.5249 70.8655 174.5394 11 A 2.5800 7.8490 126.6010 54.9313 18.1468 179.4374 12 A 4.1536 7.5890 115.9344 53.8843 18.8200 178.2744 13 D 4.5384 8.7744 116.8904 55.4927 41.0120 178.0484 14 C 3.9289 7.6837 117.8730 63.2462 28.1650 176.1113 15 S 4.0428 7.9615 113.7142 61.5469 61.9945 175.8222 16 D 4.2389 7.9045 121.0830 57.0186 40.5762 178.6873 17 I 3.2568 7.7933 120.5427 64.0590 37.1449 178.1177 18 L 3.7777 8.0247 121.4935 58.1443 41.9036 178.8464 19 R 3.7705 7.7549 118.5433 59.5379 29.9560 178.5059 20 L 3.8215 7.7466 118.6786 57.5664 41.5351 179.3811 21 I 3.7058 7.5724 120.2245 64.3724 36.7702 178.6565 22 K 4.0197 7.7476 118.3189 59.3118 31.8940 179.0391 23 E 3.9342 7.5727 118.3126 59.0146 29.6019 178.7643 24 L 3.5675 7.7178 120.5352 57.5808 41.6622 179.6137 25 A 3.8305 8.0573 119.1705 52.8643 18.2333 178.4460 *27 Y 4.2332 7.8557 123.4429 58.7700 40.4395 175.5252 28 E 4.4630 8.0509 116.2324 55.6069 30.0518 175.0056 29 Y 3.3482 6.5210 117.2267 58.4064 35.2615 169.0149 *31 E 4.3670 7.9602 120.6673 56.0820 31.8635 178.9850 32 E 3.9422 8.2205 119.1776 58.2731 29.7174 177.1718 33 Q 4.3094 7.9157 114.9361 55.6889 29.1447 175.8243 34 V 3.6697 7.6391 119.9860 63.0650 31.6411 175.5976 35 I 4.3503 8.2110 119.0424 60.3180 38.7663 175.2614 36 L 4.2356 7.7619 123.9635 54.8890 42.9335 176.0764 37 T 4.7243 8.6794 115.6001 59.4816 72.9278 175.0543 38 E 4.0013 8.6515 120.8395 59.4568 29.3345 179.5911 39 K 3.9017 8.1062 118.0329 59.8013 32.1697 178.5236 40 D 4.4406 7.9151 118.3741 57.5247 40.8055 179.0513 41 L 4.5848 7.8860 120.3826 57.2522 41.6171 179.3514 42 L 4.2610 8.1109 119.9932 59.1415 41.6190 178.0003 43 E 3.9876 8.7685 118.5183 60.3295 29.2873 179.0298 44 D 4.4418 9.3783 119.5926 57.3126 40.9652 179.2846 45 G 3.1069 8.2764 105.7760 45.8454 0.0000 174.3534 46 F 4.8996 8.4417 119.1501 55.7188 40.0416 174.0989 47 G 4.0602 7.8885 107.3293 43.5239 0.0000 168.4642 48 E 3.7798 8.3527 121.1234 57.2835 26.7645 174.4353 49 H 3.8828 8.5617 123.0104 55.7390 25.4855 172.0650 50 P 4.3354 0.0000 0.0000 62.8266 32.1126 176.7250 51 F 4.2295 8.0399 116.5244 59.4833 39.5042 175.3688 52 Y 5.0261 6.5539 116.6281 56.1345 41.6750 173.3914 53 H 4.9743 8.7938 116.4385 54.0461 32.1062 173.2343 54 C 5.3689 8.6248 118.6948 58.0289 32.0440 172.7871 55 L 5.3968 9.2334 120.9569 53.2402 45.4322 176.0744 56 V 5.1165 8.9221 114.0542 59.5834 36.4312 174.3136 57 A 5.2115 8.6619 124.5687 50.3965 21.4646 175.0884 58 E 5.0662 9.5304 122.7919 54.9336 32.1942 176.0234 59 V 4.9637 8.1594 116.7021 58.8616 34.6258 173.9851 60 P 4.8170 0.0000 0.0000 62.0596 32.6269 177.4539 61 K 2.0000 8.5696 118.5862 59.3245 31.7766 179.0743 62 E 3.9235 8.0687 115.6624 58.9778 29.3858 177.4933 63 H 4.9872 8.4220 113.5184 54.8676 29.8718 173.8584 64 W 4.8213 8.1748 120.4855 56.9431 29.4749 176.0776 65 T 4.4043 8.8176 110.4663 60.9176 68.8700 173.8437 66 P 4.2889 0.0000 0.0000 65.6493 31.3970 176.9946 67 E 4.2893 8.2925 113.5290 55.9167 29.7792 176.5633 68 G 4.0293 9.8229 106.8984 46.8624 0.0000 173.4140 69 H 4.5445 8.8167 117.5279 54.3065 30.2306 176.3937 70 S 3.4883 7.6208 116.2915 59.4471 63.9494 174.2327 71 I 4.1306 7.3317 122.2382 60.9645 36.7240 175.7303 72 V 3.9952 7.9021 124.4470 60.7857 32.1973 175.0731 73 G 4.1717 7.3783 106.6496 46.3763 0.0000 171.9891 74 F 5.4164 8.7125 113.9567 56.4677 41.8248 172.6964 75 A 5.2982 8.9289 120.0038 49.7306 22.7488 174.4072 *77 Y 4.7418 8.3180 113.1602 57.7606 40.1418 173.2929 78 Y 4.9619 7.9575 116.8572 56.4787 42.0732 173.0261 79 F 5.6082 9.0305 117.9477 56.3748 41.4716 175.5232 80 T 5.0650 8.8854 111.9251 60.3333 72.4177 171.5706 81 Y 5.1865 8.5551 120.4272 56.2401 42.3613 174.1493 82 D 4.9014 8.1245 124.8093 51.5721 43.3822 174.8311 83 P 4.1461 0.0000 0.0000 65.5989 31.6377 177.7445 84 W 4.4727 8.9888 118.9278 58.9138 29.1103 177.1336 85 I 4.4006 8.1352 106.9793 59.8328 38.9672 176.9698 86 G 2.9810 8.5623 109.5816 44.1995 0.0000 172.8253 87 K 4.3926 8.2759 122.4977 57.2572 33.2504 176.6855 88 L 5.1619 8.9207 126.1512 52.8475 45.9544 174.7942 89 L 5.0601 8.4477 123.0814 53.7237 43.7427 174.8374 90 Y 4.5280 8.9973 127.9886 55.6538 41.1343 174.0489 91 L 4.1209 8.0804 130.3291 53.9963 41.8494 176.0165 92 E 4.2860 8.6875 127.8314 58.7540 30.3536 176.3260 93 D 4.9405 7.5616 116.8528 52.6376 45.6674 174.2671 94 F 5.0739 8.4226 123.2140 56.9706 42.4876 173.1428 95 F 4.4812 8.5847 127.4390 56.2116 42.9587 172.1824 96 V 3.8062 6.3878 125.9967 62.3233 31.2221 176.3063 *98 S 4.3775 8.8025 108.6161 58.1604 63.4770 175.3623 99 D 4.2829 8.1413 117.1601 56.4387 40.6200 176.5730 100 Y 4.3892 7.7727 115.7229 57.5466 38.4423 175.6105 101 R 4.0063 6.9380 118.0417 55.9385 31.6181 177.1180 102 G 3.7942 8.3988 107.2631 45.9792 0.0000 174.1382 103 F 5.0361 7.8673 116.1246 57.0794 40.3773 176.4368 104 G 4.2029 8.2739 109.5119 45.4173 0.0000 175.5979 105 I 2.7227 7.6026 121.4585 63.7979 37.1156 178.1988 106 G 3.5178 7.6958 105.9524 48.0433 0.0000 175.2984 107 S 4.3700 8.3843 117.5576 61.6536 62.7865 176.5482 108 E 4.1089 8.2546 121.2490 59.1866 29.3897 178.9275 109 I 3.8093 7.8446 119.7130 64.4286 37.1692 178.4199 110 L 4.0288 8.1912 119.8109 57.3409 41.4297 179.5814 111 K 3.9148 8.1181 119.8831 59.3772 32.1890 178.4127 112 N 4.3018 8.5015 117.7107 56.7841 38.8365 176.7794 113 L 3.7774 8.3592 120.6717 57.8980 41.4142 179.7138 114 S 4.0598 7.9885 114.3076 61.6944 62.7870 176.5060 115 Q 4.1310 7.7371 119.8548 58.5863 28.7119 178.4819 116 V 3.7899 7.7304 119.3259 65.7770 31.5146 178.3579 117 A 4.0563 7.8213 117.1589 53.2865 18.1609 179.1191 *119 R 4.1675 7.8927 120.7128 57.9623 31.9107 177.0718 120 C 4.3911 8.2083 112.0057 58.9918 28.3991 173.9822 121 R 3.7366 7.1671 116.3138 57.3370 27.5370 176.1142 122 C 4.7708 8.3564 114.3084 58.5997 29.8982 175.0690 123 S 4.3929 8.4981 118.5397 60.5064 63.3969 174.2566 124 S 4.1679 7.3823 116.9611 58.3898 68.5329 173.3989 *126 H 4.5302 8.7684 114.7580 55.6355 30.3393 172.0434 127 F 4.1692 7.0657 113.0782 56.6631 39.7695 172.8540 128 L 4.7357 8.6425 119.1383 52.9967 43.7836 176.4105 129 V 4.5048 7.9302 119.7982 60.6486 34.7910 175.2489 130 A 3.7414 8.3710 128.9385 51.5116 19.0230 177.8220 131 E 3.7221 7.9646 123.4037 58.8710 29.5254 178.1899 132 W 4.7167 6.7238 111.3484 56.6393 29.3424 176.9922 133 N 4.8542 7.6428 120.1970 52.5307 34.7427 174.4670 134 E 4.0219 8.2144 124.8675 59.0719 30.2059 177.1138 135 P 4.2666 0.0000 0.0000 65.8913 31.3863 178.8502 136 S 4.0610 8.1523 113.9421 61.2672 62.7013 176.6075 137 I 3.9241 8.1740 122.9228 64.7932 36.8550 178.2640 138 N 4.3901 8.5328 117.3610 56.0822 38.1244 177.1933 139 F 4.1050 8.0599 121.1848 61.5545 39.7042 176.5991 140 Y 4.3513 8.2632 116.4539 61.2091 37.7203 178.6379 141 K 4.2095 8.4842 119.6514 59.5610 31.9991 179.2546 142 R 4.1717 8.2520 116.4127 57.6434 29.9199 177.4196 143 R 4.3841 7.8335 117.2202 55.9112 30.4641 176.8128 144 G 3.9479 8.2423 106.1419 44.9480 0.0000 174.5696 145 A 4.2440 7.6535 122.1054 51.9385 19.1375 177.0565 146 S 4.5638 7.9742 113.5588 55.6651 66.2183 174.2910 147 D 4.4556 8.4343 121.9230 53.7024 41.3319 177.0361 148 L 4.1056 8.2682 128.3831 57.5039 41.6698 179.4582 149 S 4.3271 8.1465 115.0166 61.2379 62.4926 176.5031 150 S 4.2104 8.4128 118.0488 61.5139 62.6654 176.3660 151 E 4.0695 8.1040 119.9494 58.6229 29.3170 177.8542 152 E 4.2243 7.8361 114.5136 55.0482 30.6462 176.2761 153 G 3.8697 7.5301 106.2183 45.9035 0.0000 174.2424 154 W 4.7122 7.8113 118.7124 56.3400 29.7000 175.9264 155 R 4.7215 8.7029 120.6305 54.1281 32.7099 174.9067 156 L 4.3038 8.6723 124.7935 54.6947 42.6711 175.8360 157 F 4.7641 8.8198 124.5578 55.5018 41.5684 174.9068 158 K 4.7092 8.2677 120.6655 55.2600 35.4755 176.1124 159 I 4.4622 8.1010 120.1005 59.7244 39.7444 175.2914 160 D 4.7236 8.6836 125.5909 53.0484 42.0967 177.4243 161 K 3.7981 8.8920 120.8618 60.1659 31.7421 178.0006 162 E 3.7841 8.1526 116.9030 59.8212 28.9545 178.4448 163 Y 4.2019 7.5965 116.3065 60.1546 38.1219 177.5694 164 L 4.1997 7.8557 119.1556 57.6938 42.0370 178.7776 165 L 4.1813 8.1787 119.2240 57.6268 40.9953 179.9530 166 K 4.1256 7.6647 114.8505 57.5022 31.6614 177.8863 *168 A 4.2724 7.8886 121.9761 51.7979 20.1323 178.4325 169 T 4.3463 7.9321 102.7039 61.7307 69.4388 175.6687 170 E 4.0038 7.8918 122.8631 59.2430 29.9261 176.3710 171 E 4.2670 7.9964 120.9596 56.3996 29.7722 175.9370 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 A 8.26 4.18 1.13 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 0.00 0.00 3 K 7.84 3.84 0.00 1.71 1.70 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.35 7.81 4 F 7.11 5.01 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 5 V 9.27 4.73 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 1.00 0.00 0.00 6 I 8.41 5.21 2.01 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 1.48 0.62 1.01 0.00 0.00 7 R 8.66 4.69 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 8 P 0.00 4.87 0.00 2.06 2.16 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 2.12 2.21 0.00 9 A 8.55 4.74 1.49 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 0.00 0.00 0.00 10 T 10.22 4.56 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 1.22 0.00 0.00 11 A 7.85 2.58 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.59 4.15 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 13 D 8.77 4.54 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.68 3.93 0.00 2.99 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 15 S 7.96 4.04 0.00 3.99 3.80 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 16 D 7.90 4.24 0.00 2.87 2.55 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 17 I 7.79 3.26 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.78 0.00 0.00 18 L 8.02 3.78 0.00 1.76 1.71 0.91 0.77 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 19 R 7.75 3.77 0.00 1.80 1.91 0.00 3.00 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 20 L 7.75 3.82 0.00 1.42 1.01 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.57 3.71 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.22 0.86 0.00 0.00 22 K 7.75 4.02 0.00 1.78 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.53 7.81 23 E 7.57 3.93 0.00 1.60 1.51 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 2.30 2.35 0.00 24 L 7.72 3.57 0.00 1.31 1.74 0.98 1.20 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 25 A 8.06 3.83 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 Y 7.86 4.23 0.00 3.09 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.05 4.46 0.00 2.20 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 2.64 2.53 0.00 29 Y 6.52 3.35 0.00 3.27 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 *31 E 7.96 4.37 0.00 2.16 2.22 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 2.27 2.32 0.00 32 E 8.22 3.94 0.00 1.96 2.05 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 2.30 2.35 0.00 33 Q 7.92 4.31 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 34 V 7.64 3.67 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 0.74 0.00 0.00 0.92 0.00 0.00 35 I 8.21 4.35 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.91 0.00 0.00 36 L 7.76 4.24 0.00 1.59 1.58 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.68 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 38 E 8.65 4.00 0.00 2.03 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 2.39 2.39 0.00 39 K 8.11 3.90 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.50 7.81 40 D 7.92 4.44 0.00 2.87 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 41 L 7.89 4.58 0.00 2.00 1.93 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.11 4.26 0.00 1.84 1.91 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.77 3.99 0.00 2.23 1.93 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 2.37 2.61 0.00 44 D 9.38 4.44 0.00 2.76 2.39 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 45 G 8.28 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 0.00 0.00 0.00 46 F 8.44 4.90 0.00 2.87 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 47 G 7.89 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 0.00 0.00 0.00 48 E 8.35 3.78 0.00 2.12 2.37 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 2.20 2.26 0.00 49 H 8.56 3.88 0.00 3.18 3.32 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.34 0.00 1.95 1.85 0.00 3.72 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 1.85 1.93 0.00 51 F 8.04 4.23 0.00 2.78 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 6.55 5.03 0.00 3.09 3.23 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 53 H 8.79 4.97 0.00 1.40 2.72 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.62 5.37 0.00 2.99 2.99 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 55 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.21 4.02 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 2.50 2.43 0.00 135 P 0.00 4.27 0.00 2.18 2.09 0.00 3.86 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 2.22 2.24 0.00 136 S 8.15 4.06 0.00 4.03 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 0.00 137 I 8.17 3.92 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 0.99 0.00 0.00 138 N 8.53 4.39 0.00 2.78 2.91 0.00 0.00 6.72 8.99 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 0.00 139 F 8.06 4.11 0.00 2.92 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 0.00 140 Y 8.26 4.35 0.00 3.41 3.08 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 0.00 141 K 8.48 4.21 0.00 1.94 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.68 7.81 142 R 8.25 4.17 0.00 1.80 1.95 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 143 R 7.83 4.38 0.00 1.64 1.75 0.00 2.21 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.28 0.00 144 G 8.24 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 0.00 145 A 7.65 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 0.00 146 S 7.97 4.56 0.00 4.19 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 0.00 147 D 8.43 4.46 0.00 2.72 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 0.00 148 L 8.27 4.11 0.00 1.72 1.89 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.15 4.33 0.00 4.02 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 0.00 150 S 8.41 4.21 0.00 3.98 3.87 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 0.00 151 E 8.10 4.07 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 152 E 7.84 4.22 0.00 1.83 1.37 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 2.13 2.16 0.00 153 G 7.53 3.87 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 0.00 0.00 0.00 154 W 7.81 4.71 0.00 3.30 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 0.00 155 R 8.70 4.72 0.00 2.17 1.95 0.00 3.41 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 156 L 8.67 4.30 0.00 1.63 1.60 0.95 0.75 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 0.00 157 F 8.82 4.76 0.00 2.98 2.95 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 0.00 158 K 8.27 4.71 0.00 1.82 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.46 7.81 159 I 8.10 4.46 1.93 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 1.42 0.72 1.02 0.00 0.00 160 D 8.68 4.72 0.00 2.84 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 0.00 161 K 8.89 3.80 0.00 1.81 1.82 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 162 E 8.15 3.78 0.00 1.98 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 1.61 1.47 0.00 163 Y 7.60 4.20 0.00 3.20 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 0.00 164 L 7.86 4.20 0.00 1.78 1.75 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.18 4.18 0.00 1.89 1.69 0.88 1.19 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 0.00 166 K 7.66 4.13 0.00 1.92 2.04 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.50 7.81 *168 A 7.89 4.27 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 0.00 169 T 7.93 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 170 E 7.89 4.00 0.00 2.13 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 2.34 2.34 0.00 171 E 8.00 4.27 0.00 1.99 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 2.24 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.