NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.1235 8.2431 120.8485 55.8716 30.8687 175.7037 5 G 3.5402 8.1463 112.5894 42.8017 0.0000 168.2367 6 V 3.0390 9.2776 120.6827 65.9923 31.6610 176.4638 7 I 3.2810 7.2583 118.8267 64.4253 36.9706 178.1462 8 D 4.3466 7.7658 119.0658 57.7431 40.5243 179.0258 9 T 3.8598 7.8347 116.1053 66.4430 68.4566 176.7990 10 W 4.4815 8.0371 120.8978 59.8690 29.2040 178.6270 11 I 3.7876 8.4510 120.2644 64.3854 36.2639 178.1571 12 D 4.4619 7.8941 118.6134 57.5251 40.8150 178.7756 13 K 4.1071 8.1736 117.4475 58.6063 32.3814 177.2983 14 H 5.0143 8.1323 116.6207 54.8679 29.8302 176.3743 15 R 4.1818 8.7060 122.6242 59.1486 29.7883 177.3279 16 S 4.2397 8.1020 113.3292 61.5439 63.1884 176.3417 17 I 3.7490 7.8085 123.0168 64.1566 36.8908 177.6167 18 Y 4.1490 8.1998 120.5282 61.0420 38.6613 178.0837 19 T 3.7860 8.5655 116.9366 66.6078 68.3284 176.4873 20 A 4.0399 8.1510 121.6722 54.9657 18.4562 179.0849 21 A 4.3880 7.7217 117.8809 54.0495 18.5629 178.7249 22 T 4.5934 7.5237 107.6151 60.6400 70.0469 175.0924 23 R 4.1779 8.0153 121.4352 55.3535 31.4369 175.8605 24 H 4.1313 7.8583 115.9095 55.8530 32.0268 174.1252 25 A 3.9896 8.2355 127.6448 55.4304 18.1114 179.9972 26 F 3.9892 8.3964 118.7569 61.4082 39.5098 177.6270 27 V 2.8863 6.9913 118.2677 64.1343 31.1690 178.0512 28 V 3.3447 7.8533 119.6137 66.0146 31.2064 178.3149 29 S 4.5873 8.0954 115.0178 60.5958 62.5721 176.5978 30 I 3.3804 7.0392 123.6571 64.0481 36.5920 178.2086 31 R 3.7192 7.3452 118.8559 59.3239 30.2208 177.0305 32 D 4.4103 8.3293 115.6129 53.1568 39.7804 177.2515 33 G 3.7934 7.7878 107.4904 46.7046 0.0000 174.9778 34 S 4.3237 8.0641 114.7963 58.8321 63.8261 174.9771 35 V 3.4661 7.5905 122.1417 62.1165 31.2442 176.3781 36 D 4.7536 8.4103 124.1758 51.9584 42.5079 177.0794 37 L 4.0468 8.3060 120.0747 57.9754 41.9807 178.6923 38 S 4.1580 8.1976 112.9720 61.5385 62.4309 176.1038 39 S 4.3962 8.7052 117.9829 61.5320 62.5457 176.2728 40 F 4.5638 8.7530 123.6996 61.8424 39.1799 177.5206 41 R 3.6915 8.4938 117.7198 59.2179 29.7306 179.3362 42 T 3.8481 7.9995 115.6870 66.3166 68.4973 176.2999 43 W 4.1403 8.4904 130.5109 60.4381 30.7715 177.6120 44 L 3.5553 8.3071 120.5349 58.0125 41.5487 179.2269 45 G 3.8006 8.1072 105.5259 48.0759 0.0000 175.7609 46 Q 4.0073 8.1633 121.0105 58.6393 28.7225 178.3416 47 D 4.2613 8.3359 119.5290 57.0155 41.0753 177.5088 48 Y 2.6942 7.4113 120.1762 60.3170 38.2438 178.1620 49 L 3.5860 7.4217 119.2090 57.5339 41.6144 179.3150 50 F 3.8098 8.1828 120.5395 61.2871 39.3028 177.2984 51 V 3.4470 7.9362 118.0077 66.0929 31.0131 178.1435 52 R 3.7061 7.3333 116.8071 58.9996 29.5216 178.7406 53 R 4.0013 7.2168 117.1891 58.4164 30.1004 178.6282 54 F 4.1343 7.7717 120.8860 60.8084 39.2403 177.0114 55 V 3.3963 7.6526 118.4244 65.7341 31.2737 176.3859 56 P 4.1739 0.0000 0.0000 65.1992 31.2396 177.9987 57 F 3.9320 7.6520 120.0213 61.3436 39.3123 177.2278 58 V 2.5728 7.4197 117.6465 65.4444 31.1449 177.5956 59 A 3.8219 7.7554 120.8063 55.2416 18.1381 179.8041 60 S 3.9806 7.6348 112.6277 61.3846 63.1527 176.9196 61 V 3.3984 7.0607 121.9034 65.3119 31.1223 177.8565 62 L 3.8779 7.7477 120.2512 58.0756 41.9384 178.8790 63 I 3.6373 7.5563 119.6936 64.6651 37.0491 178.5569 64 R 3.9835 8.0828 118.4494 59.3525 29.6256 179.0255 65 A 4.0217 7.7838 121.0702 54.6005 18.4615 179.1005 66 C 4.2186 7.9754 114.2653 61.7508 28.3030 175.3477 67 K 4.3815 7.4717 118.4348 56.8815 32.7892 176.8966 68 D 4.8121 8.2582 116.9932 53.4775 41.6450 175.5578 69 S 4.6478 7.6028 112.6275 56.3650 65.6998 173.5078 70 G 3.8608 8.3556 109.5556 45.2183 0.0000 174.7971 71 E 4.3725 7.7225 121.8583 54.6189 30.7564 174.8027 72 S 4.1432 8.6856 122.4520 61.1018 62.3423 175.2925 73 S 4.6786 7.9086 112.4415 58.9715 63.3960 176.2248 74 D 4.3669 7.9834 123.2032 54.4718 40.0357 178.4630 *76 E 4.2733 8.4126 119.6293 56.6144 31.8453 178.5702 77 V 3.8655 7.5699 116.6552 66.2803 31.5406 178.3041 78 V 3.9397 7.9942 117.9516 65.8717 31.3372 177.6231 79 L 4.0849 8.1208 119.9118 58.1859 41.9371 179.1159 80 G 3.7555 8.6248 105.9525 47.5451 0.0000 175.9459 81 G 4.1344 8.0249 108.4455 47.2982 0.0000 175.3921 82 I 3.8287 8.0239 121.2713 63.3131 37.9480 177.7483 83 A 3.9732 8.2117 121.9040 55.4648 18.2670 179.4928 84 S 4.1043 8.0980 113.5239 62.1842 62.9031 177.2178 85 L 4.2083 7.9316 120.9825 57.2900 41.3995 179.0125 86 N 4.3385 8.1390 117.5725 56.7876 38.8512 176.4402 87 D 4.5538 8.0824 118.9859 57.1128 41.3846 177.3385 88 E 4.1975 8.4215 119.9767 59.6040 29.6791 178.8116 89 I 4.0822 8.1173 119.5710 64.7759 37.3573 178.1967 90 E 4.1003 8.2699 118.7834 59.1720 29.3004 179.2137 91 W 4.2057 9.1283 129.3280 60.5909 30.6998 177.9370 92 F 3.7799 8.9776 118.0747 60.5945 38.2472 177.8815 93 K 4.2397 8.4509 118.0287 59.5479 31.7469 179.6944 94 R 3.9139 7.9358 118.0012 59.1536 29.9489 178.9305 95 E 4.0827 8.0699 118.5753 59.3069 29.3779 179.5261 96 G 3.2120 8.4425 106.3920 47.6948 0.0000 175.8824 97 S 4.0451 7.7594 116.6747 60.7331 62.9611 176.0458 98 K 3.6388 7.8073 122.5353 58.8034 31.8466 178.0695 99 W 4.7663 8.3455 115.9062 55.6768 30.1551 175.9085 100 D 4.2924 7.6772 115.4507 55.8803 37.9340 174.5610 101 V 4.0382 7.9674 118.3908 60.9418 33.5874 174.2643 102 D 4.4111 8.2840 127.5745 52.6230 40.7540 176.4989 103 F 4.5671 8.1749 127.3119 60.4982 39.1358 178.1416 104 S 4.3216 8.2597 114.3664 60.4519 62.8876 174.8926 105 T 4.4163 7.5363 109.1603 60.9763 69.1734 174.8501 106 V 3.6278 7.4960 123.1281 63.1638 31.9404 175.1030 107 V 4.1787 8.1988 127.2311 60.2916 32.3755 173.6125 108 P 4.4675 0.0000 0.0000 63.1965 31.7795 176.7087 109 Q 4.4103 8.9276 121.5376 54.3789 31.4975 176.9451 110 R 3.8735 8.4203 120.2952 59.9574 30.0949 178.3354 111 A 4.0111 7.8817 119.8101 54.9016 18.3618 179.0124 112 N 4.6329 8.0416 115.4761 57.0510 39.1529 177.0824 113 Q 4.0545 8.2382 119.5646 58.8985 28.8309 178.3719 114 E 4.0184 8.4346 119.7586 59.6869 29.4950 178.8119 115 Y 4.4287 8.2027 119.2863 60.7234 38.8448 178.3395 116 G 3.6103 8.5694 106.8179 47.8346 0.0000 175.6438 117 R 3.9364 8.2952 121.3789 58.9841 30.1078 178.3539 118 F 4.2215 8.4723 120.4638 61.3377 39.2086 176.9907 119 L 3.5250 7.9563 117.2860 57.7853 41.4724 179.1161 120 E 4.0947 8.0572 117.2056 59.5470 29.4843 178.5659 121 D 4.5162 8.1114 118.1015 57.1816 41.6976 178.3229 122 L 4.1605 7.3229 119.1764 53.5540 40.9311 177.0756 *124 S 4.2322 7.3658 112.6356 58.0118 63.6619 174.4062 125 S 4.1721 8.7202 122.3596 60.8369 62.7317 174.8257 126 E 4.4280 7.7612 116.1720 55.8263 29.8723 176.0139 127 V 3.9998 7.2524 120.5213 62.0863 32.5567 175.9553 128 K 4.3284 8.4514 126.0287 56.0681 31.6458 177.0882 129 Y 4.3160 9.0063 123.0928 60.6575 38.6143 177.2553 130 P 4.4419 0.0000 0.0000 65.2420 32.0808 178.1723 131 V 3.8982 8.1495 118.7432 65.8850 31.6545 180.1934 132 I 4.1829 7.1336 112.8571 61.2088 36.7925 178.1864 *134 T 4.4373 8.1970 118.3927 64.8672 70.5863 176.1853 135 A 4.2586 8.4518 122.9212 55.3181 18.2344 179.3618 136 F 4.8934 8.9610 119.3315 61.4875 39.4786 176.8560 137 W 3.9283 8.4840 127.1346 60.5779 30.5231 177.4068 138 A 2.9957 8.5426 120.5913 55.0006 17.6103 179.5894 139 I 3.5984 7.9786 118.1529 64.5452 37.1885 178.6153 140 E 4.0112 7.8825 119.1291 59.4828 29.2884 179.2676 141 A 3.8322 7.9823 121.2183 54.8945 18.2030 179.8277 142 V 3.5127 7.7605 116.9060 66.5305 31.6163 177.9889 143 Y 4.2206 7.8424 116.0577 60.7882 37.6634 178.2391 144 Q 4.7049 8.2996 122.1824 59.0793 29.0788 178.1119 145 E 4.1099 8.4293 118.5807 59.5078 29.6230 179.2342 146 S 4.2419 8.2678 116.6480 60.4947 62.9456 175.8838 147 F 4.5335 8.2787 118.3125 56.7221 39.3396 175.9223 148 A 4.1751 7.3923 122.1059 53.8226 18.6358 177.5364 149 H 4.1594 8.8403 116.8796 56.1616 26.5808 174.2505 150 C 4.4828 7.7772 113.8794 55.0391 41.6097 173.4205 *156 K 4.1625 8.3106 117.3549 56.1595 33.1035 175.9183 157 T 4.2031 8.0038 115.8805 63.4374 68.8263 172.4750 158 P 4.4945 0.0000 0.0000 62.0588 32.3102 177.7068 159 V 3.6778 8.2457 112.8297 64.3820 31.6680 177.8078 160 E 3.5642 7.7294 118.3703 57.9830 29.3394 177.9529 161 L 4.7441 7.8193 117.5707 54.7931 43.1278 178.3192 162 T 4.0352 8.1433 110.2588 65.2078 68.1646 176.1603 163 G 3.6895 8.3003 107.4567 47.3206 0.0000 175.4080 164 A 3.1263 8.0061 122.5613 54.9493 18.5801 179.6999 165 C 4.2248 8.2398 117.0026 60.5230 41.7719 175.8571 166 H 3.9753 8.0674 117.2722 58.8347 28.1297 177.5536 167 R 3.1442 6.9529 118.5320 58.7454 29.5099 178.3023 168 W 4.5142 7.6745 116.1140 56.6159 30.0729 177.5659 169 G 4.2359 8.1780 105.7582 43.1056 0.0000 173.5989 170 N 4.7348 7.1337 119.0231 51.9838 38.6606 175.8049 171 D 4.5840 8.6338 117.6421 56.9427 41.2517 178.5238 172 G 3.6946 8.2675 106.3609 47.7298 0.0000 175.4357 173 F 4.5207 8.9249 123.2495 60.8109 39.4638 177.0371 174 K 3.8899 8.2458 119.4272 59.9988 31.9724 178.7739 175 Q 4.0518 8.3260 118.0416 58.7775 28.6681 177.8613 176 Y 4.0406 8.1801 120.6990 61.0856 38.7783 178.1195 177 C 3.8775 8.1698 117.7839 62.8329 28.0779 176.3170 178 S 4.1394 8.0414 116.9433 61.6380 61.8918 176.9489 179 S 4.0253 7.9851 116.9459 61.3092 62.6701 176.8068 180 V 3.4901 7.2939 121.7207 65.3848 31.2421 177.8287 181 K 3.2869 8.2589 119.7319 59.4734 31.9553 178.3327 182 N 4.2114 8.2163 116.8262 56.3507 38.4331 177.4358 183 I 3.6637 7.3971 119.8796 64.2518 37.2075 178.3094 184 A 3.8873 7.8469 121.4764 55.2023 18.2789 179.1643 185 E 3.6312 8.4233 118.1139 59.2614 29.3457 179.0078 186 R 3.7621 7.7040 117.6120 59.7387 30.0406 177.6767 187 C 4.1917 8.0958 116.4222 63.2521 28.1654 176.4462 188 L 4.1008 8.0871 120.2228 57.5969 41.0047 179.0545 189 E 4.1520 8.0329 117.0506 57.9840 29.4034 177.8190 190 N 4.8275 7.5122 114.3115 51.9750 39.4509 174.0957 191 A 4.6774 7.1593 123.8374 50.4669 20.8621 178.5847 192 S 4.5388 8.3992 115.9998 57.9518 65.2914 175.8132 193 G 3.6595 8.5899 108.7825 47.9965 0.0000 175.5136 194 E 3.9982 8.1694 121.1388 59.0280 29.6247 178.9978 195 V 3.8251 7.8370 118.0860 65.9113 31.6211 177.9120 196 L 4.3854 8.3200 119.0541 57.8642 41.4991 179.8174 197 G 3.5135 8.2579 105.4695 47.8952 0.0000 175.5804 198 E 3.9693 8.1284 121.1696 58.9176 29.4397 179.4196 199 A 4.0711 8.3256 121.0294 55.1512 18.4905 179.2861 200 E 2.8440 7.4138 117.7601 59.1421 29.4865 178.7547 201 D 4.2113 7.8401 118.8701 57.2916 40.7757 178.9974 202 V 3.7907 7.8570 118.8726 65.4764 31.5215 177.8269 203 L 4.0688 8.3550 120.7114 58.3198 41.9623 179.0934 204 V 3.5047 7.7710 118.1274 65.9707 31.3087 177.8260 205 R 3.5802 7.9021 118.3552 59.2218 29.8445 178.6429 206 V 3.1775 7.7244 117.9021 65.9695 31.5954 177.9938 207 L 3.9981 7.7951 118.6638 57.8952 41.4357 179.4822 208 E 3.9433 8.2843 118.6853 59.2904 29.3391 179.3567 209 L 3.7332 7.7172 119.1353 57.4006 41.3064 179.5290 210 E 3.7610 7.9601 118.7772 59.0753 29.4181 179.0857 211 V 3.7579 7.7613 118.1304 66.3432 31.3410 178.0329 212 A 3.9961 7.7515 118.7743 54.9260 18.2427 178.9992 213 F 3.8385 8.1240 118.5702 61.1747 39.6807 177.1198 214 W 4.6449 8.3410 118.8044 59.7045 28.8101 178.9805 215 E 4.2847 8.1282 116.0377 57.3148 28.8802 179.1217 *217 S 4.2524 7.9893 116.8834 58.5948 64.8800 175.3588 218 R 4.2611 8.1830 119.6923 59.4063 30.0513 176.4343 219 G 4.0922 7.8106 109.6179 45.8081 0.0000 173.1483 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 4 R 8.24 4.12 0.00 1.72 1.87 0.00 3.20 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 5 G 8.15 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 0.00 0.00 0.00 6 V 9.28 3.04 1.66 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 -0.30 0.00 0.00 0.70 0.00 0.00 7 I 7.26 3.28 1.38 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.11 0.38 0.00 0.00 8 D 7.77 4.35 0.00 2.53 2.63 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 0.00 0.00 0.00 0.00 9 T 7.83 3.86 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 1.24 0.00 0.00 10 W 8.04 4.48 0.00 3.63 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 11 I 8.45 3.79 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.33 0.00 0.00 12 D 7.89 4.46 0.00 2.88 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 13 K 8.17 4.11 0.00 1.83 1.69 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.72 7.81 14 H 8.13 5.01 0.00 3.26 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.71 4.18 0.00 2.08 1.99 0.00 3.38 0.00 0.00 3.54 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 16 S 8.10 4.24 0.00 4.12 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 17 I 7.81 3.75 2.06 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 1.56 0.95 0.93 0.00 0.00 18 Y 8.20 4.15 0.00 3.18 3.22 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 19 T 8.57 3.79 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 1.20 0.00 0.00 20 A 8.15 4.04 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 21 A 7.72 4.39 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 22 T 7.52 4.59 4.01 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 0.70 0.00 0.00 23 R 8.02 4.18 0.00 1.75 1.80 0.00 3.24 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 24 H 7.86 4.13 0.00 3.25 2.64 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.24 3.99 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 26 F 8.40 3.99 0.00 3.28 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.99 2.89 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 0.00 0.00 0.31 0.00 0.00 0.19 0.00 0.00 28 V 7.85 3.34 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 1.05 0.00 0.00 0.84 0.00 0.00 29 S 8.10 4.59 0.00 3.93 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 30 I 7.04 3.38 1.54 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.40 0.76 0.00 0.00 31 R 7.35 3.72 0.00 1.70 1.91 0.00 3.16 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 32 D 8.33 4.41 0.00 2.86 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 33 G 7.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.06 4.32 0.00 3.93 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 35 V 7.59 3.47 1.69 0.00 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4.01 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 0.00 112 N 8.04 4.63 0.00 2.73 3.00 0.00 0.00 7.25 7.28 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 0.00 113 Q 8.24 4.05 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 114 E 8.43 4.02 0.00 2.26 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 2.35 2.47 0.00 115 Y 8.20 4.43 0.00 3.40 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 0.00 116 G 8.57 3.61 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 0.00 0.00 0.00 117 R 8.30 3.94 0.00 2.11 2.20 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 F 8.47 4.22 0.00 3.18 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 0.00 119 L 7.96 3.53 0.00 1.73 1.56 0.45 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.06 4.09 0.00 2.12 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 0.00 2.32 2.52 0.00 121 D 8.11 4.52 0.00 2.73 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 0.00 122 L 7.32 4.16 0.00 1.71 1.79 0.14 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *124 S 7.37 4.23 0.00 3.88 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 0.00 125 S 8.72 4.17 0.00 3.90 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 0.00 126 E 7.76 4.43 0.00 2.08 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 2.25 2.24 0.00 127 V 7.25 4.00 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 0.84 0.00 0.00 0.95 0.00 0.00 128 K 8.45 4.33 0.00 1.91 1.80 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.42 7.81 129 Y 9.01 4.32 0.00 2.95 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 0.00 130 P 0.00 4.44 0.00 2.17 2.16 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 131 V 8.15 3.90 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 1.07 0.00 0.00 1.04 0.00 0.00 132 I 7.13 4.18 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 1.04 0.00 0.00 *134 T 8.20 4.44 4.62 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 1.63 0.00 0.00 135 A 8.45 4.26 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.96 4.89 0.00 3.39 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 0.00 137 W 8.48 3.93 0.00 3.41 3.49 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 0.00 138 A 8.54 3.00 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 0.00 139 I 7.98 3.60 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.12 0.41 0.00 0.00 140 E 7.88 4.01 0.00 1.83 1.91 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 2.59 2.26 0.00 141 A 7.98 3.83 0.37 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 0.00 0.00 142 V 7.76 3.51 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 1.21 0.00 0.00 0.93 0.00 0.00 143 Y 7.84 4.22 0.00 3.09 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 0.00 144 Q 8.30 4.70 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 145 E 8.43 4.11 0.00 1.96 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 0.00 2.57 2.71 0.00 146 S 8.27 4.24 0.00 3.63 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 0.00 147 F 8.28 4.53 0.00 3.42 3.19 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 0.00 148 A 7.39 4.18 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 0.00 149 H 8.84 4.16 0.00 3.34 3.47 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 7.78 4.48 0.00 3.08 3.07 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 0.00 0.00 0.00 *156 K 8.31 4.16 0.00 1.99 1.84 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 157 T 8.00 4.20 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 1.20 0.00 0.00 158 P 0.00 4.49 0.00 2.39 2.06 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 1.87 1.83 0.00 159 V 8.25 3.68 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 0.77 0.00 0.00 1.07 0.00 0.00 160 E 7.73 3.56 0.00 1.16 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 1.47 1.47 0.00 161 L 7.82 4.74 0.00 1.54 1.70 0.87 0.75 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 0.00 162 T 8.14 4.04 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 1.28 0.00 0.00 163 G 8.30 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 0.00 164 A 8.01 3.13 1.48 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 0.00 0.00 0.00 165 C 8.24 4.22 0.00 3.14 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 0.00 166 H 8.07 3.98 0.00 3.26 3.17 0.00 5.90 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 0.00 167 R 6.95 3.14 0.00 0.67 0.66 0.00 2.34 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 168 W 7.67 4.51 0.00 3.21 3.28 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 0.00 169 G 8.18 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 0.00 170 N 7.13 4.73 0.00 2.94 3.08 0.00 0.00 6.54 7.95 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 0.00 171 D 8.63 4.58 0.00 2.84 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 0.00 172 G 8.27 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 0.00 173 F 8.92 4.52 0.00 3.16 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 0.00 174 K 8.25 3.89 0.00 1.99 2.06 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 175 Q 8.33 4.05 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.70 0.00 176 Y 8.18 4.04 0.00 3.27 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 0.00 177 C 8.17 3.88 0.00 3.01 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 0.00 178 S 8.04 4.14 0.00 4.03 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 0.00 179 S 7.99 4.03 0.00 4.00 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 0.00 180 V 7.29 3.49 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 0.73 0.00 0.00 0.27 0.00 0.00 181 K 8.26 3.29 0.00 1.74 1.65 0.00 1.53 0.00 0.00 1.37 0.00 0.00 2.46 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.67 0.21 7.81 182 N 8.22 4.21 0.00 2.76 2.79 0.00 0.00 7.08 8.34 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 0.00 183 I 7.40 3.66 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.93 0.93 0.00 0.00 184 A 7.85 3.89 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 0.00 185 E 8.42 3.63 0.00 1.80 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 2.13 2.29 0.00 186 R 7.70 3.76 0.00 1.92 2.10 0.00 3.35 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 187 C 8.10 4.19 0.00 3.19 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 0.00 188 L 8.09 4.10 0.00 1.53 1.57 0.79 1.02 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 0.00 189 E 8.03 4.15 0.00 2.04 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 2.22 2.47 0.00 190 N 7.51 4.83 0.00 2.71 2.83 0.00 0.00 6.85 7.23 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 0.00 191 A 7.16 4.68 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 0.00 192 S 8.40 4.54 0.00 4.09 4.05 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 0.00 193 G 8.59 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 0.00 194 E 8.17 4.00 0.00 2.07 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 2.40 2.39 0.00 195 V 7.84 3.83 2.26 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 1.16 0.00 0.00 0.99 0.00 0.00 196 L 8.32 4.39 0.00 2.04 2.01 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.26 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 0.00 0.00 0.00 198 E 8.13 3.97 0.00 2.10 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 2.35 2.63 0.00 199 A 8.33 4.07 1.64 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 0.00 0.00 0.00 200 E 7.41 2.84 0.00 1.16 1.22 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 1.68 1.47 0.00 201 D 7.84 4.21 0.00 2.86 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 0.00 202 V 7.86 3.79 2.40 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 1.25 0.00 0.00 1.09 0.00 0.00 203 L 8.36 4.07 0.00 2.00 1.86 1.32 1.16 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 0.00 204 V 7.77 3.50 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 0.91 0.00 0.00 0.57 0.00 0.00 205 R 7.90 3.58 0.00 1.90 1.79 0.00 2.94 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 206 V 7.72 3.18 2.27 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 1.05 0.00 0.00 1.19 0.00 0.00 207 L 7.80 4.00 0.00 1.91 1.74 1.13 1.15 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 0.00 208 E 8.28 3.94 0.00 1.83 1.88 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 2.27 2.39 0.00 209 L 7.72 3.73 0.00 0.80 0.35 -0.15 0.71 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 0.00 210 E 7.96 3.76 0.00 2.12 1.88 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 2.45 2.41 0.00 211 V 7.76 3.76 2.25 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 1.14 0.00 0.00 1.03 0.00 0.00 212 A 7.75 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 213 F 8.12 3.84 0.00 3.14 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 0.00 214 W 8.34 4.64 0.00 3.15 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 0.00 215 E 8.13 4.28 0.00 2.28 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 2.44 2.63 0.00 *217 S 7.99 4.25 0.00 3.40 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 0.00 218 R 8.18 4.26 0.00 2.14 2.28 0.00 3.45 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 219 G 7.81 4.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.