NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3922 8.4293 118.8012 55.3540 32.0323 175.1771 4 I 4.5692 7.1507 113.2967 56.8108 40.9986 172.1337 5 N 5.0658 8.4412 117.3382 51.2302 41.1225 176.4961 6 I 3.6965 8.0490 118.0811 63.5449 38.3049 176.9865 7 Y 4.3173 7.9677 117.3584 61.3024 37.9197 177.2081 8 Q 4.3591 9.1544 117.8413 57.9968 29.9549 176.3508 9 N 5.2194 8.4489 115.1022 50.5586 39.2830 173.2931 10 P 4.4149 0.0000 0.0000 65.9160 31.8824 178.8027 11 G 3.9225 8.5847 105.6662 47.7984 0.0000 175.7564 12 Q 4.1431 8.1633 120.3099 58.6614 28.5462 178.7651 13 S 4.1377 8.2471 116.1541 61.7607 62.9405 176.8607 14 L 4.2064 8.4458 121.7647 57.6045 41.2449 179.4355 15 A 4.5673 8.8213 121.3382 55.3515 18.4087 179.3437 16 N 4.2497 8.5904 115.1997 56.4965 38.5871 177.6507 17 I 3.3396 7.5550 120.9090 64.6717 37.2173 178.2359 18 Y 4.1456 8.4163 117.2040 60.5765 37.2098 178.1379 19 K 2.8391 8.4107 121.3307 58.3345 31.9170 179.2998 20 G 3.3225 7.4582 105.8912 47.8289 0.0000 175.8103 21 F 4.4262 7.7648 120.9068 60.1477 38.8333 177.7313 22 A 4.0423 8.3387 120.4812 54.9376 17.9360 179.6612 23 R 3.9652 7.5692 116.1941 59.3523 30.2252 178.3588 24 Q 4.1547 7.7592 117.0770 59.1880 28.7201 177.6336 25 C 4.6648 7.9271 117.4428 58.2306 37.6569 173.9288 26 N 4.5170 8.0630 120.4406 52.5030 40.3771 172.7953 27 P 4.6003 0.0000 0.0000 63.9240 31.9518 177.3426 28 G 3.7544 8.1635 107.2847 46.7608 0.0000 173.6971 29 F 4.1139 7.9500 123.4273 57.9646 39.3757 175.2408 30 V 3.6326 7.5574 128.5867 61.8167 30.1447 174.5200 31 F 4.3482 8.4843 129.6986 57.3830 40.1272 175.1348 32 P 4.4084 0.0000 0.0000 61.1775 28.1671 175.9144 33 E 4.0287 7.9907 125.6099 60.2036 30.2434 177.4501 34 A 4.0045 7.9814 120.0745 55.5598 18.3671 179.5355 35 Q 3.9027 7.8534 115.8488 59.1790 28.9202 178.9542 36 T 3.3227 7.4552 116.8418 66.2511 68.4383 176.8780 37 I 3.8901 7.7088 121.7225 64.4141 36.9869 177.9524 38 E 3.9642 7.8836 118.2509 59.3557 29.7777 178.3420 39 A 4.2155 8.2040 120.9536 55.0154 18.3017 179.1147 40 W 4.9866 7.8487 113.8832 58.2938 29.7711 177.8810 41 D 4.7838 8.4536 119.3298 56.1532 40.3472 178.1883 42 I 3.7849 7.7698 121.3335 64.2957 37.3207 176.2176 43 P 4.4223 0.0000 0.0000 65.7446 31.0251 178.4946 44 L 3.9893 8.1237 117.5567 57.9960 42.1627 178.7275 45 R 4.0302 7.9633 117.6284 59.1256 30.0832 178.6903 46 L 3.9548 7.8242 117.8477 56.5788 43.1141 177.2274 47 H 5.2461 7.7075 114.3227 52.0667 29.1801 172.3866 48 P 4.2513 0.0000 0.0000 65.4619 32.0415 179.0451 49 E 4.1455 7.9722 117.7052 58.0232 29.7480 178.5421 50 F 4.5711 7.9717 118.6674 59.9035 39.2509 174.3368 51 I 4.3407 7.7554 122.1820 57.8679 36.8915 170.7829 52 P 4.1904 0.0000 0.0000 63.4934 31.1811 177.3938 53 G 3.9599 9.5110 112.0667 46.3625 0.0000 173.0451 54 G 3.7620 8.1110 105.0671 46.0085 0.0000 174.4208 55 D 4.6884 7.6221 121.2467 51.9333 40.5276 176.8650 56 I 3.7724 7.9921 120.7824 62.5400 38.0009 178.1014 57 S 4.1823 7.8404 114.6071 59.7952 63.2980 174.7376 58 K 4.5942 7.9288 119.6620 56.0374 32.5149 176.4427 59 A 4.3758 7.4096 122.4443 52.2346 19.2083 177.8098 60 D 4.2502 9.3967 121.6085 55.2613 42.0141 176.7053 61 Q 4.0003 9.3723 125.5479 59.9321 28.9021 179.4359 62 Q 3.8070 7.9734 117.9375 58.6692 28.6777 178.3545 63 Y 4.0023 8.2676 120.8545 60.7254 38.8340 177.6075 64 S 3.9350 8.1548 116.1034 61.9893 62.8927 176.8577 65 T 3.7809 7.8276 118.1125 66.7189 68.0688 176.5805 66 L 3.9038 7.6593 120.5002 57.7156 41.5797 179.7061 67 L 3.5584 7.5447 118.6885 57.5133 41.4082 179.3027 68 A 3.8761 8.1412 121.1372 55.1269 18.1630 179.5998 69 Q 3.8794 8.1973 116.7498 59.2144 28.7006 179.0832 70 E 3.8985 7.8216 119.2544 59.3144 29.4851 179.3890 71 I 3.5904 7.5770 119.5811 64.3974 37.2118 178.2782 72 A 3.9984 8.1511 121.7201 55.2347 18.0959 179.1816 73 N 4.3693 8.6138 116.0398 56.7394 38.9986 177.3285 74 G 3.6982 8.3431 107.4831 47.7051 0.0000 175.8718 75 V 3.4916 7.8918 120.5024 66.0597 31.5814 178.1699 76 T 4.0661 8.0307 115.4418 66.8857 68.0998 176.4533 77 I 3.6186 7.8362 120.7841 64.3509 37.1074 178.2646 78 G 3.6729 7.6822 105.3183 47.9505 0.0000 175.4422 79 F 4.5158 7.5877 119.1581 59.7875 39.9685 177.2975 80 R 4.2152 7.8856 119.1054 55.9272 28.1400 178.4778 *82 V 4.0276 7.4673 113.2973 61.4108 34.0116 177.1695 83 N 4.6764 8.2317 114.2125 54.6650 39.6027 176.2802 84 E 4.7140 8.2478 118.2325 55.4612 30.5166 178.3292 85 K 3.8441 8.2309 121.4436 59.5774 32.4162 176.7132 86 E 3.8788 8.0956 118.9412 59.3173 29.6706 178.5683 87 R 3.8566 7.8888 118.1072 59.3932 30.2091 178.4394 88 V 3.5289 7.7246 117.9138 66.1758 31.4663 177.3799 89 C 4.2217 8.3342 116.2006 59.7382 39.9431 175.1722 90 N 4.4355 8.0309 114.4991 53.4007 39.2764 176.3069 91 V 4.1638 7.7815 118.3267 63.6474 32.7174 175.2440 92 E 4.4255 7.9729 116.8350 57.8353 30.9094 177.6623 93 I 3.8986 8.4653 119.3731 64.4265 37.6951 178.6332 94 L 3.7203 8.0642 119.9255 57.3979 41.4805 177.8820 95 P 4.3013 0.0000 0.0000 65.3019 31.0011 178.4328 96 L 3.9793 7.3215 118.1432 58.1039 42.1465 178.7513 97 L 4.0372 7.6319 117.4603 58.0559 41.9524 179.3958 98 T 4.1380 8.1564 109.9953 64.6026 68.7525 176.7238 99 S 4.2056 8.0680 115.1638 58.5827 63.0898 175.8308 *101 A 4.1225 7.9665 126.9584 53.1585 20.4433 179.8641 102 Q 3.9313 8.1167 114.7124 59.1554 28.6418 178.7883 103 N 4.2844 8.1593 117.3470 56.2447 38.5480 177.1728 104 L 3.8150 7.7724 120.9990 58.2253 42.2517 178.3164 105 D 4.2821 8.1314 118.9440 57.4621 40.9019 178.9390 106 R 3.8594 8.1841 119.1212 59.4367 30.1158 178.3841 107 I 3.8415 7.9862 119.8457 64.6843 37.1708 178.5928 108 K 3.9395 8.2210 119.1404 59.3863 31.5727 179.2978 109 A 4.0698 8.0970 120.5624 54.0809 18.4052 178.8007 110 R 4.2393 7.6950 111.7859 56.4985 30.3551 176.8073 111 F 4.5922 7.9058 115.4617 55.6644 41.9911 176.3690 112 G 3.9963 8.2265 110.8525 44.9910 0.0000 174.2247 113 S 4.3829 8.6930 112.1119 61.0058 63.0488 175.7622 114 G 3.9381 7.8650 108.5756 46.0599 0.0000 175.0703 115 Y 3.9103 7.8093 121.0646 59.5581 37.8304 178.0826 116 L 3.3024 6.8488 120.2032 57.1928 41.0515 178.6920 117 D 4.1643 7.4018 119.0078 57.0881 40.3599 178.9204 118 R 3.5178 7.0301 117.9611 58.8734 29.9166 177.6008 119 F 4.7931 6.8645 113.5296 57.7870 38.1858 176.0618 120 K 4.1231 7.5084 120.6729 56.5512 32.7026 176.7381 121 G 3.8311 8.4055 107.1766 46.7362 0.0000 173.9738 122 S 4.5394 7.3249 111.3219 56.5439 63.1799 173.0838 123 P 4.1752 0.0000 0.0000 64.5207 31.5288 175.9715 124 N 4.7029 7.4378 117.0327 52.4369 38.7614 175.3137 125 V 3.6532 8.6377 124.1094 64.9235 32.2461 175.5702 126 Y 5.0088 8.4221 117.3915 55.1255 40.0417 175.0726 127 P 3.3438 0.0000 0.0000 65.3474 31.4702 177.6657 128 T 4.3282 7.6419 106.5240 61.4521 69.4402 174.3881 129 D 4.5204 7.8717 123.5555 54.7030 42.1844 175.5746 130 V 4.3150 8.2679 121.5174 61.2568 33.6283 174.0318 131 G 4.1533 8.8442 119.6813 45.4276 0.0000 170.0742 132 F 5.7513 8.7412 120.5325 55.5041 41.2266 176.2335 133 S 4.5641 8.9032 118.3662 58.8707 63.8499 173.1086 134 T 4.9759 8.1663 113.7568 60.2755 70.8200 173.2107 135 D 4.6593 9.4939 127.1619 52.2462 40.9742 176.6057 136 A 3.9583 8.7694 121.5921 55.6614 17.9700 178.7080 137 S 4.4179 8.1692 106.4485 58.4005 63.4280 174.8528 138 G 3.9205 8.4453 109.4639 45.6102 0.0000 173.9389 139 G 4.0199 8.8295 109.0741 44.1955 0.0000 173.2702 140 I 4.5146 7.9895 121.3501 59.7730 38.7271 175.4231 141 S 4.6678 8.3528 118.0648 56.4021 66.0678 174.4754 142 Q 4.0343 8.5013 117.0400 58.2894 28.2613 176.8784 143 E 4.1874 7.6819 117.4546 57.8521 30.2473 176.9688 144 S 4.3524 7.8348 115.7036 58.7181 64.1412 173.1469 145 G 4.2732 9.3833 110.9301 44.8668 0.0000 171.5617 146 L 5.0617 8.8669 122.7546 53.8357 43.8310 175.7548 147 L 5.0788 8.8579 125.3328 53.3553 44.7308 175.2311 148 V 4.4848 8.7074 126.7776 60.8471 33.9855 176.9358 149 S 3.6978 8.6348 116.5006 58.5872 62.3327 171.4693 150 Y 4.7227 7.8458 110.7513 58.2019 37.2054 175.5711 151 G 4.3135 8.2914 105.2875 45.6216 0.0000 174.6953 152 V 2.1565 7.8199 121.1534 61.8475 29.1185 173.8818 153 N 4.9213 7.6451 124.7795 52.2431 38.3471 175.4705 154 L 4.2901 8.6441 127.8200 57.2187 42.4862 179.7427 155 R 3.8304 8.2734 118.6700 59.3204 29.9140 177.2982 156 T 4.3867 7.8182 108.8232 61.7186 67.8377 173.9383 157 L 4.2956 7.1396 124.2098 55.4874 42.6447 177.1946 158 T 4.1634 8.5296 122.9793 62.6483 70.4904 173.4053 159 P 4.4660 0.0000 0.0000 66.0528 31.3964 178.9858 160 G 3.6542 8.1482 103.5623 48.3481 0.0000 175.6083 161 T 3.8967 7.9012 117.4317 65.6485 68.5792 175.9962 162 W 4.4621 8.5228 129.7871 60.7565 30.8509 177.5655 163 Q 3.9425 8.2149 117.8462 58.3457 29.8530 177.5425 164 A 4.4150 7.6403 122.3539 50.9146 14.5078 177.4722 *166 T 3.9346 7.3366 116.7882 62.6452 69.4082 174.0529 167 L 4.8284 7.8157 124.8814 51.1209 45.9595 175.7908 168 P 4.4300 0.0000 0.0000 62.3086 33.2395 177.2538 169 E 3.9577 9.0627 121.2913 60.3083 29.3879 179.8250 170 D 4.4150 7.7813 118.2286 56.6605 39.7962 179.1173 171 I 3.8330 7.7457 121.7912 63.3911 37.3311 178.2495 172 K 4.3359 8.1855 119.1776 59.6215 31.6783 179.1731 173 A 4.0479 8.0946 119.9351 55.0618 18.4114 179.1068 174 L 4.0054 7.5780 117.3564 58.1889 42.5377 178.7230 175 V 3.9702 8.0043 117.4489 64.3335 31.7988 177.7795 176 G 3.2398 8.3247 106.3745 47.4851 0.0000 173.7631 177 P 4.3218 0.0000 0.0000 64.8096 31.5817 178.2779 178 G 3.7301 7.9881 103.6477 44.9129 0.0000 173.6484 179 V 3.6713 6.7563 121.8587 64.0882 31.4855 176.3994 180 G 4.1512 9.2436 116.1096 45.0303 0.0000 173.0577 181 L 4.1631 7.7184 123.3517 54.7233 42.8383 176.4624 182 R 4.3724 8.4820 125.1250 55.4733 30.9040 177.5716 183 L 2.0000 8.0455 121.4818 57.3141 40.4585 177.5336 184 D 4.6255 7.6840 117.4516 52.8059 39.9157 176.1541 185 A 4.2516 7.7445 123.7261 51.5896 18.9664 177.6457 186 P 4.3273 0.0000 0.0000 65.0011 31.6390 177.5546 187 N 4.8791 8.0417 113.4537 52.3518 38.0947 175.8360 188 F 3.9969 8.0903 124.3017 62.1551 39.4527 177.0123 189 S 4.3705 8.2561 111.7950 61.1482 62.2491 175.7522 190 D 4.3183 7.9327 121.4657 57.1658 40.7018 178.6287 191 V 3.4185 7.8721 118.8259 65.8658 31.5870 177.4892 192 F 3.6270 8.1408 120.7304 61.4987 38.9427 176.6119 193 N 4.4167 8.1499 116.0878 56.9717 38.5886 177.0332 194 T 3.8763 7.7707 117.0955 66.6253 68.6682 177.0010 195 I 3.5859 7.6601 121.6829 64.0695 36.8680 178.2750 196 K 3.7501 7.6574 119.1724 59.8847 32.1274 178.7670 197 S 4.3732 7.7124 113.7816 61.0727 62.8005 176.5253 198 G 3.7094 8.0373 108.2919 46.4564 0.0000 174.5944 199 L 4.2377 7.1982 119.5915 54.5654 42.4865 176.7733 200 R 4.7319 8.4723 119.1671 53.3528 35.3313 175.8961 201 Y 4.0357 8.5514 120.1851 61.6446 38.5409 178.5481 202 T 3.5554 9.5600 117.3216 66.8363 68.6106 176.4560 203 T 4.2440 7.8648 110.0468 63.7809 69.2633 176.6477 204 A 3.9409 8.4993 124.5079 55.0044 18.2695 179.7467 205 V 3.5030 7.5993 116.8912 66.2676 31.6095 178.3579 206 T 3.8903 7.8289 115.1982 66.5538 68.3544 176.2948 207 L 3.9448 8.0647 122.0952 57.9817 42.1720 178.3519 208 L 4.0503 8.0339 120.4768 58.6708 41.9797 179.1956 209 L 4.2390 8.2982 118.4185 57.5413 41.3851 179.3722 210 A 4.0119 8.0957 120.9600 55.2345 18.2888 179.0747 211 Y 3.9850 8.1690 117.9358 61.0872 38.7449 178.3269 212 F 4.0035 8.3609 116.8442 60.1514 39.0752 177.3585 213 A 4.1929 8.2205 119.8257 54.5770 18.1701 178.8925 214 A 4.1996 7.3892 118.8294 53.3262 19.7175 178.3937 215 I 3.4491 7.1199 110.3772 61.7864 38.1642 176.3693 216 G 4.2380 8.5960 110.8874 46.2471 0.0000 173.3245 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 3 E 8.43 4.39 0.00 2.11 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 0.00 2.19 2.33 0.00 4 I 7.15 4.57 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.95 0.00 0.00 5 N 8.44 5.07 0.00 3.03 2.99 0.00 0.00 5.59 7.63 0.00 0.00 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 I 8.05 3.70 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.05 0.34 0.00 0.00 7 Y 7.97 4.32 0.00 3.22 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 8 Q 9.15 4.36 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.31 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 9 N 8.45 5.22 0.00 2.89 2.78 0.00 0.00 6.58 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 10 P 0.00 4.41 0.00 2.40 2.44 0.00 3.98 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 11 G 8.58 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 12 Q 8.16 4.14 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 13 S 8.25 4.14 0.00 3.89 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 14 L 8.45 4.21 0.00 1.93 1.50 0.45 0.74 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 15 A 8.82 4.57 1.69 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 16 N 8.59 4.25 0.00 2.97 2.85 0.00 0.00 7.03 7.08 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 17 I 7.55 3.34 1.99 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 1.30 0.46 0.24 0.00 0.00 18 Y 8.42 4.15 0.00 3.61 3.54 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 0.00 0.00 0.00 0.00 19 K 8.41 2.84 0.00 1.00 1.58 0.00 1.46 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.11 0.66 7.81 20 G 7.46 3.32 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 0.00 21 F 7.76 4.43 0.00 2.98 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 22 A 8.34 4.04 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.57 3.97 0.00 1.86 1.94 0.00 3.26 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 24 Q 7.76 4.15 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 25 C 7.93 4.66 0.00 3.17 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 26 N 8.06 4.52 0.00 2.79 2.74 0.00 0.00 7.07 7.24 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 27 P 0.00 4.60 0.00 2.25 2.18 0.00 3.86 0.00 0.00 3.70 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 28 G 8.16 3.75 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 0.00 0.00 0.00 29 F 7.95 4.11 0.00 3.07 3.25 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 30 V 7.56 3.63 1.78 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 0.68 0.00 0.00 0.83 0.00 0.00 31 F 8.48 4.35 0.00 3.22 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 32 P 0.00 4.41 0.00 2.02 1.97 0.00 2.72 0.00 0.00 3.59 0.00 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 0.00 110 R 7.70 4.24 0.00 1.64 1.92 0.00 3.19 0.00 0.00 3.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.07 0.00 111 F 7.91 4.59 0.00 3.20 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 0.00 112 G 8.23 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 0.00 0.00 0.00 113 S 8.69 4.38 0.00 4.04 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 0.00 114 G 7.86 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 0.00 115 Y 7.81 3.91 0.00 2.95 3.32 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 0.00 116 L 6.85 3.30 0.00 1.32 1.48 0.69 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.40 4.16 0.00 2.55 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 0.00 118 R 7.03 3.52 0.00 0.67 0.83 0.00 2.21 0.00 0.00 2.65 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.90 0.00 119 F 6.86 4.79 0.00 2.89 2.83 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 0.00 120 K 7.51 4.12 0.00 1.90 1.62 0.00 1.68 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.36 7.81 121 G 8.41 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 0.00 122 S 7.32 4.54 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.18 0.00 2.29 2.23 0.00 3.90 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 2.06 2.06 0.00 124 N 7.44 4.70 0.00 2.97 2.83 0.00 0.00 6.91 7.56 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 0.00 125 V 8.64 3.65 1.68 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 0.10 0.00 0.00 0.89 0.00 0.00 126 Y 8.42 5.01 0.00 3.33 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 0.00 127 P 0.00 3.34 0.00 1.90 2.01 0.00 3.94 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.69 0.00 128 T 7.64 4.33 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 1.20 0.00 0.00 129 D 7.87 4.52 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 0.00 130 V 8.27 4.32 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 -0.25 0.00 0.00 0.64 0.00 0.00 131 G 8.84 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 0.00 132 F 8.74 5.75 0.00 3.04 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 0.00 133 S 8.90 4.56 0.00 3.96 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 0.00 134 T 8.17 4.98 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 1.23 0.00 0.00 135 D 9.49 4.66 0.00 2.89 2.83 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 0.00 136 A 8.77 3.96 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 0.00 137 S 8.17 4.42 0.00 4.00 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 0.00 138 G 8.45 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 0.00 139 G 8.83 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 0.00 0.00 0.00 140 I 7.99 4.51 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.67 0.62 0.00 0.00 141 S 8.35 4.67 0.00 3.92 3.91 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 0.00 142 Q 8.50 4.03 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 143 E 7.68 4.19 0.00 1.92 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 2.30 2.41 0.00 144 S 7.83 4.35 0.00 3.87 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 0.00 145 G 9.38 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 0.00 0.00 0.00 146 L 8.87 5.06 0.00 1.53 1.38 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.86 5.08 0.00 1.76 1.49 0.95 0.94 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 0.00 148 V 8.71 4.48 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.77 0.00 0.00 149 S 8.63 3.70 0.00 3.80 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 0.00 150 Y 7.85 4.72 0.00 2.98 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 0.00 151 G 8.29 4.31 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 0.00 152 V 7.82 2.16 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 0.35 0.00 0.00 0.73 0.00 0.00 153 N 7.65 4.92 0.00 2.81 2.81 0.00 0.00 7.12 6.66 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 0.00 154 L 8.64 4.29 0.00 1.68 1.70 0.75 0.45 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 0.00 155 R 8.27 3.83 0.00 2.01 2.20 0.00 3.25 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 156 T 7.82 4.39 4.52 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 1.31 0.00 0.00 157 L 7.14 4.30 0.00 2.20 1.81 1.19 1.31 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 0.00 158 T 8.53 4.16 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 1.29 0.00 0.00 159 P 0.00 4.47 0.00 2.21 2.21 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 160 G 8.15 3.65 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 0.00 0.00 0.00 161 T 7.90 3.90 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 1.17 0.00 0.00 162 W 8.52 4.46 0.00 3.41 3.38 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 0.00 163 Q 8.21 3.94 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.27 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 164 A 7.64 4.41 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 *166 T 7.34 3.93 4.34 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 1.17 0.00 0.00 167 L 7.82 4.83 0.00 1.40 1.45 0.72 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.43 0.00 2.47 1.99 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 169 E 9.06 3.96 0.00 2.02 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 2.42 2.39 0.00 170 D 7.78 4.41 0.00 2.90 2.94 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 0.00 171 I 7.75 3.83 2.02 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 1.68 0.64 0.97 0.00 0.00 172 K 8.19 4.34 0.00 1.89 2.09 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.18 1.33 7.81 173 A 8.09 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.58 4.01 0.00 1.61 1.89 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.00 3.97 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 0.89 0.00 0.00 0.94 0.00 0.00 176 G 8.32 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 0.00 0.00 0.00 177 P 0.00 4.32 0.00 1.94 2.07 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 178 G 7.99 3.73 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 0.00 0.00 0.00 179 V 6.76 3.67 1.68 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 0.63 0.00 0.00 -0.17 0.00 0.00 180 G 9.24 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 0.00 181 L 7.72 4.16 0.00 1.87 1.76 0.98 1.11 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 0.00 182 R 8.48 4.37 0.00 1.91 1.76 0.00 3.18 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 183 L 8.05 2.00 0.00 0.76 0.77 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 184 D 7.68 4.63 0.00 2.73 2.69 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 0.00 185 A 7.74 4.25 1.47 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 0.00 0.00 186 P 0.00 4.33 0.00 2.07 2.16 0.00 3.67 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 2.05 2.10 0.00 187 N 8.04 4.88 0.00 2.93 3.04 0.00 0.00 5.88 8.12 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 0.00 188 F 8.09 4.00 0.00 3.39 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 0.00 189 S 8.26 4.37 0.00 4.06 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 0.00 190 D 7.93 4.32 0.00 2.92 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 0.00 191 V 7.87 3.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 192 F 8.14 3.63 0.00 2.48 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 0.00 193 N 8.15 4.42 0.00 3.12 2.96 0.00 0.00 7.31 6.96 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 0.00 194 T 7.77 3.88 4.31 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 1.18 0.00 0.00 195 I 7.66 3.59 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.73 0.00 0.00 196 K 7.66 3.75 0.00 1.96 1.87 0.00 2.00 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.38 7.81 197 S 7.71 4.37 0.00 3.81 3.89 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 0.00 198 G 8.04 3.71 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 0.00 0.00 0.00 199 L 7.20 4.24 0.00 1.60 1.56 0.80 0.58 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 0.00 200 R 8.47 4.73 0.00 1.78 1.95 0.00 3.15 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 201 Y 8.55 4.04 0.00 2.92 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 0.00 202 T 9.56 3.56 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 1.13 0.00 0.00 203 T 7.86 4.24 4.28 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 1.26 0.00 0.00 204 A 8.50 3.94 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 0.00 205 V 7.60 3.50 2.51 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 1.25 0.00 0.00 0.89 0.00 0.00 206 T 7.83 3.89 4.48 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 0.00 0.00 0.00 1.25 0.00 0.00 207 L 8.06 3.94 0.00 1.80 1.81 1.05 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 208 L 8.03 4.05 0.00 1.88 1.86 1.15 0.14 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 0.00 209 L 8.30 4.24 0.00 1.77 1.76 0.92 0.90 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 0.00 210 A 8.10 4.01 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 0.00 211 Y 8.17 3.99 0.00 3.10 3.14 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 0.00 212 F 8.36 4.00 0.00 3.44 3.20 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 0.00 213 A 8.22 4.19 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 0.00 214 A 7.39 4.20 1.24 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 0.00 0.00 215 I 7.12 3.45 1.60 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.55 -0.01 0.00 0.00 216 G 8.60 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.