NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4812 8.0433 120.5612 54.4763 43.8940 174.9879 3 K 4.6649 9.2981 123.5211 54.0409 34.7710 173.5933 4 L 5.2833 9.2816 126.9971 52.8353 45.7414 175.0972 5 A 5.0800 9.1730 125.3347 50.6328 20.9355 175.4396 6 I 4.8543 8.6508 124.1676 59.4239 39.8298 173.7195 7 P 4.8805 0.0000 0.0000 62.1310 31.6120 176.3674 8 K 4.1457 8.9965 125.2034 56.5089 32.8669 177.5660 9 G 3.9906 8.8893 106.4587 43.9062 0.0000 175.9217 10 R 3.8451 8.8099 120.5365 59.4349 30.1234 177.6373 11 L 4.3058 7.7516 114.9477 55.2719 42.7282 177.9749 12 E 3.8567 8.0863 120.2804 59.4109 29.4609 178.5977 13 E 3.8898 8.0044 116.8853 59.1866 29.7294 178.8657 14 K 3.5325 7.7606 118.9241 59.0209 32.1772 179.1072 15 V 3.0304 7.3001 118.0896 66.2863 31.3464 178.0073 16 M 4.0913 7.9280 118.1892 58.6800 31.7289 178.9763 17 T 3.9253 7.8896 116.0506 66.5031 68.6673 176.4601 18 Y 4.3006 7.6183 118.7513 61.1686 37.9573 178.5390 19 L 4.1171 8.0846 119.8475 57.7013 41.7291 179.4408 20 K 3.8459 8.4436 119.8225 59.6815 31.9620 179.0290 21 K 4.0500 8.4636 117.5524 59.0353 32.0048 178.4389 22 T 4.2900 7.4259 107.6970 61.5916 69.2780 175.3584 23 G 4.0134 8.0991 109.5910 45.2244 0.0000 174.5312 24 V 3.5451 7.3947 119.9751 62.8117 32.0575 175.1982 25 I 4.3136 7.8496 126.5920 59.3221 40.2469 174.1271 26 F 5.2636 8.5698 125.6194 56.7237 40.5317 176.2362 *27 E 4.3715 9.3362 121.5626 56.8374 30.6475 174.1855 28 R 4.7329 7.7840 117.6186 54.5714 33.0612 173.4747 29 E 4.9314 8.6776 123.5522 54.6702 33.2165 174.5780 30 S 4.7435 8.3769 116.8379 56.1652 66.4277 173.8740 31 S 4.1747 8.7533 114.2473 60.6424 62.3103 174.5749 32 I 4.2815 7.6338 111.6579 60.6822 39.0046 174.4964 33 L 5.1670 8.1506 123.9236 53.5768 45.6470 174.7433 34 R 4.7561 9.0055 125.5337 54.3003 32.9979 174.4034 35 E 5.1531 9.2407 124.2847 54.6433 32.5206 175.7069 36 G 4.7057 9.3161 113.4583 43.6331 0.0000 172.4377 *37 K 4.1322 8.6834 123.4988 56.0813 31.9350 173.8583 *38 D 4.7450 8.9136 122.3263 52.5744 37.4440 169.8429 39 I 4.4535 6.8729 117.3239 61.0767 42.3353 173.1410 40 V 4.8070 8.4765 128.9731 61.2870 34.9562 173.5465 41 C 4.9908 9.3626 126.3705 58.0105 30.6832 172.9336 42 F 4.9785 9.1266 124.0601 56.6838 39.7168 175.5207 43 M 4.7039 8.6757 125.7417 54.5891 31.7802 176.2191 44 V 4.5486 8.5131 116.8724 58.6748 36.3949 175.8864 45 R 4.2913 8.4636 120.3444 55.8206 30.9484 176.1936 46 P 4.2642 0.0000 0.0000 66.1325 31.1916 178.9413 47 F 4.0262 8.3703 113.3917 59.3524 39.2222 176.1620 48 D 4.8268 8.3884 118.3457 54.5939 41.0216 178.4100 49 V 3.5867 7.6821 120.1263 65.7510 31.6403 175.9612 50 P 4.3012 0.0000 0.0000 65.8874 31.1659 178.6667 51 T 3.9536 8.0078 114.0117 67.0484 68.4413 176.1104 52 Y 3.8945 8.2565 118.5407 60.7692 37.8248 178.7214 53 L 4.1655 7.9706 119.6128 57.8917 41.6805 179.4351 54 V 3.6099 8.0678 117.4616 66.4155 31.4415 176.6843 55 H 4.2094 8.3249 114.1134 56.2172 28.6300 176.1344 56 G 3.9508 8.5205 107.8744 46.3072 0.0000 175.1249 57 V 3.9894 7.8193 112.8435 61.7089 32.1145 176.0745 58 A 5.0761 7.8446 121.2753 50.4877 22.2326 175.3419 59 D 4.7551 9.1861 120.0086 55.4314 42.4497 176.9101 60 I 4.8972 7.6057 117.7933 59.5455 41.3966 174.6479 61 G 4.7741 8.7293 111.4066 46.0581 0.0000 171.2255 62 F 5.9347 8.7284 117.2761 54.8888 42.7577 174.2511 63 C 4.6991 8.4666 115.2293 57.3357 32.9563 173.6595 64 G 4.5765 8.3991 108.4847 44.1392 0.0000 174.9224 65 T 3.7490 8.5750 116.3435 66.3204 67.7749 176.4409 66 D 4.4965 8.2169 120.7238 56.6320 39.2013 178.8643 67 V 2.7833 7.5374 119.2109 65.1707 31.3679 177.3055 68 L 3.8169 7.2642 118.2105 58.4026 41.9489 178.7299 69 L 4.0970 8.1771 117.4211 57.1915 41.6336 178.6626 70 E 4.6124 8.5843 121.5989 57.8598 29.8071 177.0304 *71 K 4.4501 7.9939 120.3249 52.1959 33.6797 177.4034 72 E 4.1897 8.7208 126.4739 55.2565 30.2186 175.7902 73 T 4.7718 8.1396 114.6382 60.3676 72.0325 173.4755 74 S 4.7476 8.3411 113.4739 58.0087 63.2554 174.1631 75 L 4.2276 7.8843 120.5600 55.7593 42.2752 176.5936 76 I 4.2813 8.2257 122.2688 60.4380 39.0313 174.9596 77 Q 5.0899 8.8200 126.2072 52.8887 28.9676 173.7534 78 P 4.4870 0.0000 0.0000 65.2688 31.7883 176.2686 79 F 4.9497 7.0655 110.7700 55.4435 40.5625 172.5780 80 F 4.4881 8.9861 123.3607 56.9950 40.0731 174.7260 81 I 4.3523 7.5252 128.7791 59.0690 37.5915 173.5316 82 P 4.6266 0.0000 0.0000 65.7348 31.5066 176.8135 83 T 3.7534 7.9275 110.4844 62.8116 67.4481 172.8598 84 N 4.6209 8.6998 126.3442 52.9070 38.9993 174.6227 85 I 4.0841 8.5309 125.4016 63.8755 39.0084 175.2393 86 S 4.6754 7.3780 113.6690 58.2743 66.0543 174.1430 87 R 4.9527 8.4115 117.0367 55.2374 34.9228 174.1633 88 M 4.4174 8.6137 123.4474 54.5064 33.3934 175.3631 89 V 4.7120 8.5993 119.0123 59.3413 36.6099 174.0574 90 L 4.9328 8.5772 124.0983 53.8590 43.6953 175.1905 91 A 5.1705 9.0764 126.8863 50.8899 23.4215 174.6626 92 G 4.3308 8.6968 105.2016 44.2964 0.0000 170.7377 93 P 4.6115 0.0000 0.0000 62.6018 31.8706 176.7644 94 K 3.9128 8.9049 125.8007 58.0373 32.5849 177.9069 95 G 4.1348 9.9769 115.1333 46.3987 0.0000 175.3949 96 R 3.7918 7.8735 118.0718 56.5524 30.5277 177.8392 97 G 3.9114 7.1111 105.9872 46.0243 0.0000 172.2068 98 I 4.2986 7.9868 119.1354 58.7557 38.7786 174.0456 99 P 4.3301 0.0000 0.0000 62.6653 31.9448 176.6121 100 E 4.0473 8.7627 121.8192 59.3418 30.4493 177.6108 101 G 3.9766 7.5024 113.8848 44.9647 0.0000 172.8893 102 E 4.1841 8.7339 124.9188 56.7117 30.5050 176.9629 103 K 4.4158 9.3561 126.7465 55.0664 34.3397 175.6862 104 R 4.8692 9.4157 125.3223 55.3318 31.5776 175.5894 105 I 5.0404 8.8895 125.4486 59.4150 40.5261 174.8233 106 A 4.9331 8.4965 129.0686 51.7313 20.5232 175.8077 107 T 4.5360 8.5725 113.5621 61.8904 71.2879 174.0192 108 K 4.5421 8.5952 122.7092 56.0746 33.0674 177.4887 109 F 4.9694 7.7939 118.8399 54.5036 39.0038 173.8420 110 P 4.3160 0.0000 0.0000 65.8856 31.5230 178.5270 111 N 4.3852 9.1107 116.7911 55.9380 38.4167 177.4198 112 V 3.7523 8.8063 120.0821 66.5255 31.5335 178.2401 113 T 3.9820 8.2851 115.3857 66.6118 68.3155 176.3893 114 Q 4.0117 8.7421 121.8009 59.2425 29.2180 178.2262 115 R 3.9060 8.4308 120.0503 59.6869 29.5848 177.7025 116 Y 4.0163 8.3367 119.2760 60.9512 38.8351 177.2933 117 C 4.0712 8.5633 117.6046 60.1512 38.8191 175.8827 118 E 3.8944 8.2624 120.2103 59.5787 28.8875 179.6784 119 S 4.1284 7.6922 112.1602 60.2900 63.1383 175.5197 120 K 3.9581 6.9124 119.3382 54.6113 32.7849 176.0083 121 G 3.9437 7.5560 107.3910 46.5230 0.0000 173.4310 122 W 5.1039 8.0197 116.9813 55.2436 32.1546 176.9162 123 H 4.7944 8.7994 119.3823 54.9434 29.5162 174.7812 124 C 5.5887 8.9009 120.3878 54.9807 43.5718 174.0264 125 R 4.5327 9.2362 122.2907 54.7843 31.9395 174.3192 126 I 4.6906 8.3950 127.9709 60.4303 38.4857 175.5946 127 I 4.3654 8.6535 129.1004 58.8591 38.8462 173.4088 128 P 4.8478 0.0000 0.0000 62.4499 32.0256 175.9181 129 L 4.8897 9.1053 122.9619 53.2500 46.0154 177.1404 130 K 4.1984 8.7498 117.5988 55.8151 33.3200 176.7499 131 G 3.8889 8.2195 107.3293 45.8091 0.0000 171.8221 132 S 3.9695 7.9703 112.0868 59.3563 60.5436 175.1879 133 V 3.6923 7.6662 119.9502 65.6197 31.3669 175.8389 134 E 4.1384 8.1041 115.8043 58.3415 29.7802 177.9584 135 L 4.1309 7.9593 121.2387 57.0579 42.1738 178.0696 136 A 3.9792 7.8670 121.3466 54.9828 18.2953 177.8604 137 P 4.9194 0.0000 0.0000 65.3969 31.3210 178.8309 138 I 3.6473 7.7300 115.8506 63.6012 38.0933 176.2332 139 A 4.1432 7.8652 121.1430 52.4081 18.6625 178.1953 140 G 3.9466 8.1012 103.9846 45.2347 0.0000 174.6328 141 L 4.0887 7.8060 122.6971 57.3132 42.4396 176.6903 142 S 4.7395 7.5352 110.8028 56.8597 66.3088 173.9593 143 D 4.4836 8.6634 119.8396 56.3181 41.8038 176.3749 144 L 5.1898 8.3334 116.7221 52.9367 46.6988 175.4209 145 I 5.1301 9.0721 112.2337 59.5107 41.4988 174.4216 146 V 4.7025 8.1961 122.8061 61.4848 33.4128 173.9952 147 D 4.8992 8.7378 126.5455 53.5252 45.4738 173.4300 148 I 4.7492 8.3108 120.7840 60.5955 38.6642 175.6507 149 T 4.6358 8.8960 119.3127 60.9908 70.7298 173.6196 150 E 4.3633 9.0787 125.2759 57.7563 31.2653 177.2150 151 T 4.4029 7.9790 103.9519 60.7136 70.3755 174.7225 152 G 3.9171 8.2273 110.9971 45.6461 0.0000 175.2379 153 R 3.8392 7.6668 118.9983 59.9723 30.1605 178.4930 154 T 3.8609 7.8813 114.7560 66.5311 68.3969 176.5624 155 L 4.0679 7.8115 120.2740 57.7128 41.8510 179.1528 156 K 3.9260 8.4683 121.2982 60.3660 31.8977 179.9097 *157 E 4.0864 8.3072 113.0557 58.1410 29.7816 179.1153 158 N 4.8879 7.5724 111.5238 52.7437 38.9755 174.3577 159 N 4.1884 7.8870 114.7365 54.4328 36.8852 173.6864 160 L 5.2253 8.0477 116.1780 53.1887 44.1818 176.4740 161 E 4.8195 8.7057 118.4561 54.4581 33.3714 174.8236 162 I 4.2869 8.3504 122.2172 61.4579 37.1823 175.7076 163 L 4.5331 8.7843 127.5173 56.1261 43.0736 176.4968 164 D 4.5816 7.7666 115.6037 53.2646 44.7340 174.2965 165 E 4.5768 8.7287 124.6645 55.4071 29.8056 176.0999 166 I 4.0703 8.3690 126.7967 63.6161 37.5885 176.6907 167 F 4.9390 7.1542 114.3185 55.7049 40.7291 173.0297 168 V 4.2332 8.6490 120.9883 62.8845 32.5641 174.9591 169 I 4.6709 9.0536 128.3443 60.0174 39.5935 175.0601 170 R 5.0889 8.9975 124.7350 54.7361 34.9728 174.0096 171 T 4.7821 8.2798 115.9573 63.5127 69.7491 174.5844 172 H 4.9857 9.2930 121.7463 53.8606 33.2644 172.6172 173 V 4.3616 8.0102 120.3362 59.9630 33.6784 174.9108 174 V 4.7160 8.3031 117.5396 59.3578 35.7564 174.6962 175 V 4.6742 8.5349 123.7981 60.6130 35.0626 174.1212 176 N 4.7195 9.1552 127.1466 53.1042 39.4463 173.4160 177 P 4.3657 0.0000 0.0000 66.3389 31.1254 178.3929 178 V 3.5990 7.8644 118.2273 65.7863 31.0871 178.0816 179 S 4.1827 8.3266 114.1946 61.7957 62.5476 175.7583 180 Y 4.3170 8.1712 122.4711 60.6110 38.2099 178.4240 181 R 4.0744 7.6616 115.4165 59.2671 30.2508 178.4347 182 T 4.1476 8.3091 112.7761 63.3073 67.6440 174.3542 183 K 4.6669 8.2712 120.8901 55.3689 33.3434 178.3520 184 R 4.2863 8.0438 119.3305 60.1542 29.7879 176.7904 185 E 4.1450 8.1288 117.2658 59.2879 29.6634 178.9728 186 E 3.9577 8.1832 119.0156 59.2107 29.7396 178.9885 187 V 3.5837 8.2875 118.6829 65.9279 31.5790 177.8976 188 V 3.6951 8.3605 118.4468 66.2669 31.3433 177.6498 189 S 4.0925 8.4140 112.8358 61.5188 62.1785 175.6818 190 F 4.1708 8.2675 123.0835 61.5922 39.0945 177.1188 191 L 4.0377 8.5531 118.7658 57.7183 41.3896 179.4582 192 E 3.8489 8.4750 118.8964 59.3243 29.4146 179.4595 193 K 3.8308 7.9078 118.3942 59.2434 32.0210 178.9226 194 L 3.6989 7.7014 120.8359 58.2955 41.9487 178.7869 195 Q 3.0767 7.8699 121.6644 59.4420 28.7963 178.5629 *196 E 3.9408 7.9094 119.1633 61.2555 29.6872 181.1961 197 V 3.7387 7.7791 119.1988 65.8589 31.5886 178.2544 198 I 3.2182 8.2670 120.5373 64.0058 36.8729 177.7708 199 E 3.8421 8.4681 120.4554 59.6745 29.4119 178.0726 200 H 4.0453 8.0052 117.7884 59.4856 29.6628 176.1762 201 D 4.4034 8.2869 121.0155 58.4678 41.1589 179.0065 *202 S 4.2886 8.0681 117.5592 63.0710 62.3401 177.6793 203 N 4.8121 8.0413 118.6913 54.7752 38.9134 174.9566 204 E 4.1905 8.5419 124.4399 56.1665 29.9933 175.0113 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 L 8.04 4.48 0.00 1.34 1.39 0.52 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.30 4.66 0.00 1.68 1.52 0.00 1.67 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.13 1.40 7.81 4 L 9.28 5.28 0.00 1.67 1.63 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 A 9.17 5.08 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 6 I 8.65 4.85 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.88 0.00 0.00 7 P 0.00 4.88 0.00 2.10 2.12 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 8 K 9.00 4.15 0.00 1.62 1.79 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.53 7.81 9 G 8.89 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 0.00 0.00 0.00 10 R 8.81 3.85 0.00 1.78 2.02 0.00 3.28 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 11 L 7.75 4.31 0.00 1.73 1.64 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.09 3.86 0.00 2.23 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 2.26 2.29 0.00 13 E 8.00 3.89 0.00 2.20 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 0.00 2.31 2.39 0.00 14 K 7.76 3.53 0.00 1.66 1.41 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.34 7.81 15 V 7.30 3.03 1.80 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 0.21 0.00 0.00 0.64 0.00 0.00 16 M 7.93 4.09 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.84 0.00 17 T 7.89 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 18 Y 7.62 4.30 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.12 0.00 1.95 1.82 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.44 3.85 0.00 1.88 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 21 K 8.46 4.05 0.00 1.93 1.89 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.68 7.81 22 T 7.43 4.29 4.19 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 1.22 0.00 0.00 23 G 8.10 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 0.00 0.00 0.00 0.00 24 V 7.39 3.55 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 0.16 0.00 0.00 1.00 0.00 0.00 25 I 7.85 4.31 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.87 0.00 0.00 26 F 8.57 5.26 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 E 9.34 4.37 0.00 1.93 1.85 0.00 0.00 0.00 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 2.10 0.00 28 R 7.78 4.73 0.00 1.79 1.75 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 29 E 8.68 4.93 0.00 1.89 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 0.00 1.89 2.25 0.00 30 S 8.38 4.74 0.00 3.91 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 31 S 8.75 4.17 0.00 3.83 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 32 I 7.63 4.28 1.88 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 1.30 0.70 0.91 0.00 0.00 33 L 8.15 5.17 0.00 1.80 1.49 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.01 4.76 0.00 0.67 0.66 0.00 3.11 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.07 0.00 35 E 9.24 5.15 0.00 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0.00 110 P 0.00 4.32 0.00 2.29 2.32 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 111 N 9.11 4.39 0.00 3.19 2.99 0.00 0.00 6.65 7.22 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 0.00 112 V 8.81 3.75 2.53 0.00 0.00 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 1.25 0.00 0.00 113 T 8.29 3.98 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 114 Q 8.74 4.01 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 115 R 8.43 3.91 0.00 2.03 2.26 0.00 3.21 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 116 Y 8.34 4.02 0.00 3.08 3.13 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 0.00 117 C 8.56 4.07 0.00 3.25 3.26 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 0.00 118 E 8.26 3.89 0.00 2.20 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 0.00 2.33 2.44 0.00 119 S 7.69 4.13 0.00 3.93 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 0.00 120 K 6.91 3.96 0.00 0.79 0.74 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.57 7.81 121 G 7.56 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 0.00 122 W 8.02 5.10 0.00 3.30 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 0.00 123 H 8.80 4.79 0.00 3.09 3.27 0.00 5.55 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 8.90 5.59 0.00 2.93 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 0.00 125 R 9.24 4.53 0.00 1.82 1.80 0.00 3.25 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 126 I 8.39 4.69 1.91 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 1.43 0.76 0.96 0.00 0.00 127 I 8.65 4.37 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.91 0.00 0.00 128 P 0.00 4.85 0.00 1.88 1.92 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 129 L 9.11 4.89 0.00 1.43 1.46 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.75 4.20 0.00 1.67 1.77 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.29 7.81 131 G 8.22 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 0.00 0.00 0.00 132 S 7.97 3.97 0.00 4.00 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 0.00 133 V 7.67 3.69 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 1.10 0.00 0.00 0.91 0.00 0.00 134 E 8.10 4.14 0.00 2.16 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 2.28 2.31 0.00 135 L 7.96 4.13 0.00 1.81 1.82 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.87 3.98 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 0.00 137 P 0.00 4.92 0.00 2.17 2.11 0.00 4.07 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 138 I 7.73 3.65 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 1.35 0.62 0.99 0.00 0.00 139 A 7.87 4.14 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 0.00 140 G 8.10 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 0.00 141 L 7.81 4.09 0.00 1.72 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.54 4.74 0.00 4.10 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 0.00 143 D 8.66 4.48 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.33 5.19 0.00 1.61 1.73 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 145 I 9.07 5.13 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.95 0.00 0.00 146 V 8.20 4.70 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 0.72 0.00 0.00 0.85 0.00 0.00 147 D 8.74 4.90 0.00 2.87 2.49 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 0.00 148 I 8.31 4.75 1.93 0.00 0.00 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 1.04 0.51 0.90 0.00 0.00 149 T 8.90 4.64 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 1.23 0.00 0.00 150 E 9.08 4.36 0.00 1.97 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 2.21 2.26 0.00 151 T 7.98 4.40 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 1.21 0.00 0.00 152 G 8.23 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 0.00 153 R 7.67 3.84 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 154 T 7.88 3.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 155 L 7.81 4.07 0.00 1.84 1.71 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.47 3.93 0.00 2.07 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.62 7.81 *157 E 8.31 4.09 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 158 N 7.57 4.89 0.00 2.84 2.84 0.00 0.00 7.11 7.88 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 0.00 159 N 7.89 4.19 0.00 2.89 2.85 0.00 0.00 6.92 6.03 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 0.00 160 L 8.05 5.23 0.00 1.49 1.58 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.71 4.82 0.00 2.01 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 2.18 2.26 0.00 162 I 8.35 4.29 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.95 0.00 0.00 163 L 8.78 4.53 0.00 1.59 1.82 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 164 D 7.77 4.58 0.00 2.87 2.46 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 0.00 165 E 8.73 4.58 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 166 I 8.37 4.07 1.51 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.07 0.94 0.00 0.00 167 F 7.15 4.94 0.00 3.04 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 0.00 168 V 8.65 4.23 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 0.94 0.00 0.00 0.98 0.00 0.00 169 I 9.05 4.67 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.98 0.00 0.00 170 R 9.00 5.09 0.00 1.42 1.57 0.00 2.79 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 171 T 8.28 4.78 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 172 H 9.29 4.99 0.00 3.02 3.15 0.00 5.58 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.01 4.36 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.41 0.00 0.00 174 V 8.30 4.72 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 0.62 0.00 0.00 0.84 0.00 0.00 175 V 8.53 4.67 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.62 0.00 0.00 176 N 9.16 4.72 0.00 2.85 2.81 0.00 0.00 6.80 7.51 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 0.00 177 P 0.00 4.37 0.00 2.33 2.36 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 178 V 7.86 3.60 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 1.07 0.00 0.00 0.95 0.00 0.00 179 S 8.33 4.18 0.00 4.06 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 0.00 180 Y 8.17 4.32 0.00 3.21 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 0.00 181 R 7.66 4.07 0.00 2.01 2.06 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 182 T 8.31 4.15 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 183 K 8.27 4.67 0.00 1.93 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.35 7.81 184 R 8.04 4.29 0.00 2.14 1.97 0.00 3.17 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 185 E 8.13 4.15 0.00 2.09 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 2.44 2.40 0.00 186 E 8.18 3.96 0.00 2.05 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 2.39 2.39 0.00 187 V 8.29 3.58 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 0.59 0.00 0.00 0.92 0.00 0.00 188 V 8.36 3.70 2.36 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 1.10 0.00 0.00 1.18 0.00 0.00 189 S 8.41 4.09 0.00 3.98 4.08 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 0.00 190 F 8.27 4.17 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 0.00 191 L 8.55 4.04 0.00 2.04 1.91 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.47 3.85 0.00 2.16 1.94 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 2.31 2.54 0.00 193 K 7.91 3.83 0.00 1.63 1.77 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.70 7.81 194 L 7.70 3.70 0.00 1.25 1.76 0.92 1.01 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 0.00 195 Q 7.87 3.08 0.00 1.21 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.55 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 *196 E 7.91 3.94 0.00 2.03 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 2.25 2.20 0.00 197 V 7.78 3.74 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 1.14 0.00 0.00 0.94 0.00 0.00 198 I 8.27 3.22 1.72 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 -0.30 -0.22 0.78 0.00 0.00 199 E 8.47 3.84 0.00 2.18 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 2.27 2.34 0.00 200 H 8.01 4.05 0.00 3.27 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.29 4.40 0.00 2.87 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 *202 S 8.07 4.29 0.00 3.75 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 N 8.04 4.81 0.00 2.75 2.89 0.00 0.00 6.76 7.06 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 0.00 204 E 8.54 4.19 0.00 1.77 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 0.00 2.21 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.