NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1252 8.2893 120.3247 55.1812 32.5240 174.4231 2 K 4.0348 8.1822 126.1798 53.8525 34.1181 170.8748 3 V 4.0315 8.2915 124.5208 61.6759 31.6210 176.4972 4 T 4.3683 8.1922 116.7900 61.2815 69.7424 174.5684 5 K 4.5663 7.4980 122.8614 55.7446 35.6739 174.1185 6 S 5.7569 8.8713 121.2658 57.7841 65.8438 173.1986 7 E 4.8996 8.6847 120.0963 54.8488 32.9844 174.0532 8 I 4.0244 8.4747 121.2406 61.3835 38.4964 174.8949 9 V 4.2609 8.3405 127.1001 64.1464 33.3810 175.3055 10 I 4.2255 7.2198 117.1608 60.3581 41.4336 173.1771 11 S 5.2130 8.8131 122.4060 57.0533 64.0379 173.2659 12 A 5.0438 9.2294 127.4490 50.4806 21.1744 177.5365 13 V 4.3891 9.2284 111.7774 61.1279 33.8748 176.0172 14 K 4.6344 7.5449 117.8799 54.1271 36.3110 174.9059 15 P 2.9700 0.0000 0.0000 65.1437 31.2841 178.9025 16 E 3.8856 7.8889 116.2298 58.8284 29.3851 177.5484 17 Q 4.3267 7.5154 115.4112 55.8390 29.5896 175.6688 18 Y 3.9267 7.4014 117.3951 56.8499 38.4893 173.9725 19 P 4.3394 0.0000 0.0000 62.6830 31.9997 176.0062 20 E 4.4299 8.1205 120.5473 54.8819 31.0035 175.6505 21 G 3.9764 9.5781 106.8605 44.8915 0.0000 175.7162 22 G 4.3649 8.3984 105.8130 45.6624 0.0000 173.5286 23 L 4.3624 7.3282 119.1062 53.5231 42.3372 175.5911 24 P 4.7092 0.0000 0.0000 63.3848 32.7354 174.7503 25 E 5.4208 9.2317 119.6348 54.7843 33.9433 174.8256 26 I 5.0060 8.8895 123.5430 59.6479 40.2982 174.6906 27 A 4.9365 8.6225 128.8253 50.7420 21.2372 175.5918 28 L 5.1630 8.9462 119.7629 52.8065 45.0215 175.6833 29 A 5.0630 8.9479 124.8568 50.4494 22.7667 174.9906 30 G 4.0591 8.1105 105.8489 45.1155 0.0000 174.3456 31 R 2.8063 8.0664 120.4905 57.6684 30.6563 176.3877 32 S 4.6515 7.2657 110.7723 55.6299 66.2776 174.1727 33 N 4.2847 8.5315 125.8765 56.3471 38.4734 177.7623 34 V 3.6619 7.8037 119.3022 66.0107 31.6603 178.1104 35 G 3.5622 7.6597 104.0818 47.5433 0.0000 175.4863 36 K 3.8447 7.7713 121.6635 59.4074 32.2324 178.9061 37 S 4.0571 8.2705 115.6761 61.6527 62.8030 176.6226 38 S 4.0777 8.0164 115.6675 61.4683 62.2525 176.0361 39 F 4.0865 8.2225 123.1625 61.3388 38.8391 177.1610 40 I 3.3420 7.7223 119.4151 64.3296 36.7840 178.1574 41 N 4.3226 8.2239 117.3750 56.5019 38.1169 177.6919 42 S 4.2038 7.7776 115.5264 61.3462 62.9858 176.4003 43 L 4.3139 7.5312 121.0346 56.4748 41.2491 177.8692 44 I 4.5000 7.0825 110.2246 59.9753 37.9373 175.1379 45 N 4.2160 8.3294 115.1393 55.1297 35.5392 173.3601 46 R 4.8122 8.3549 114.7641 54.7114 34.5872 175.6732 47 K 4.5319 8.6010 116.3954 56.8195 34.1964 177.0681 48 N 5.0217 7.9651 112.0017 52.4712 40.6123 175.0309 49 L 4.0716 8.2807 120.7610 58.0800 42.4268 177.3494 50 A 4.6219 7.6600 119.3584 51.2767 18.9127 176.7708 *60 Q 4.2187 8.3195 118.2691 56.0260 29.8483 175.0787 61 T 4.8771 8.1105 111.4689 60.0697 72.4042 173.2922 62 L 4.3125 8.8958 123.6729 54.6031 42.9284 175.7493 63 N 5.2210 8.6820 122.4844 51.9684 40.2520 174.2404 64 F 5.1066 9.0901 123.6175 56.4456 41.4165 174.7769 65 Y 5.1669 9.1607 120.1344 56.2378 41.7794 174.2659 66 I 4.5259 8.8483 125.0392 60.2270 39.7816 174.2287 67 I 4.7409 8.6079 130.2971 60.2832 40.0419 175.7108 68 N 4.2325 9.9768 124.3810 55.2451 36.7894 174.0060 69 D 4.5046 8.1452 112.8173 55.3353 38.7589 174.5030 70 E 4.8256 8.3834 116.0301 56.0062 31.5822 175.3121 71 L 4.7232 7.6556 118.5086 55.2042 43.9673 173.4805 72 H 5.5168 8.9338 117.2965 54.3525 31.4886 174.0397 73 F 5.4975 9.2106 121.5893 56.9869 40.9442 175.0863 74 V 4.2761 8.8732 123.3049 60.9049 33.9239 174.0194 75 D 4.7901 8.9560 129.9611 53.7349 42.0432 175.0659 76 V 4.3568 8.2420 127.2013 60.7584 32.5609 174.1646 77 P 4.4057 0.0000 0.0000 62.3694 31.8956 176.2768 78 G 4.2067 9.0688 111.7805 46.4590 0.0000 172.5646 79 Y 2.9892 7.2554 118.8960 55.7669 38.1849 175.6309 80 G 3.6325 6.9138 109.2002 45.9370 0.0000 173.8476 81 F 4.9852 7.8996 124.4985 56.5667 39.5583 177.9305 82 A 3.9844 8.2514 125.3562 55.0421 17.9890 179.2205 83 K 4.5411 8.0298 111.6670 55.9106 32.5503 175.9085 84 V 4.3527 7.5280 119.3843 59.4150 33.2479 176.6114 85 S 4.2161 8.3771 118.5446 58.3458 64.7668 175.2605 86 K 3.7897 8.5913 123.6175 59.6913 31.8301 179.1766 87 S 4.2970 7.7613 114.2399 61.0339 62.4578 175.8714 88 E 3.9959 8.1040 121.2723 59.2413 29.0791 179.5563 89 R 3.2068 7.7806 118.1837 59.1299 29.5448 178.9293 90 E 3.9755 8.2366 118.0589 59.3595 29.4540 179.3328 91 A 4.0755 8.1519 120.8852 54.8512 18.3483 179.4919 92 W 4.2178 8.7570 127.5786 60.3776 30.7359 178.5516 93 G 3.7031 8.5250 105.9027 48.0301 0.0000 175.9494 94 R 3.9961 8.2635 121.2609 58.8693 30.0285 178.8825 95 M 3.9846 8.0629 117.9512 58.7738 32.2736 178.2138 96 I 3.5065 7.4831 118.9176 64.0298 38.0711 177.7275 97 E 3.9998 8.2719 119.5021 59.4779 29.2320 179.5385 98 T 3.9045 8.0063 115.9765 66.7085 68.5329 175.8990 99 Y 4.1734 7.9108 122.6543 60.3820 38.6379 178.2147 100 I 3.4454 7.9377 120.0361 64.3997 37.3028 178.0726 101 T 4.1682 7.7542 108.6997 63.0964 69.0932 175.2534 102 T 4.3149 7.4370 109.3189 61.2594 70.7713 174.2023 103 R 4.0970 7.6920 123.5514 54.8578 29.0200 176.0937 104 E 3.9643 8.6383 127.4156 59.1975 30.1684 177.9688 105 E 4.1644 8.0990 117.6916 58.6452 30.7789 176.9000 106 L 4.1334 7.5943 122.1009 55.4041 41.7490 176.7370 107 K 4.5415 8.8952 126.0032 57.5518 34.2047 176.2172 108 A 4.5850 7.5227 118.7211 51.2367 22.6902 175.0506 109 V 4.7358 8.5140 119.5888 61.0996 34.4352 174.6409 110 V 4.3949 8.8266 128.5706 61.9262 32.8958 174.0790 111 Q 4.9254 8.9071 130.1502 54.6041 30.8794 173.9408 112 I 4.5039 8.5354 128.2047 59.9508 38.8035 175.4700 113 V 4.4899 8.5678 119.2544 59.7180 37.0690 173.4559 114 D 4.8896 8.2451 120.8647 52.7719 41.9494 176.8487 115 L 4.0127 8.6954 128.8701 58.1713 42.1066 178.5685 116 R 4.1404 8.2183 117.7732 58.8921 30.1631 175.8536 117 H 4.8669 7.2753 110.1272 53.4185 31.6883 172.8926 118 A 4.0393 8.4710 122.9715 51.6028 18.6035 175.9800 119 P 4.3083 0.0000 0.0000 62.8974 32.1505 177.0944 120 S 4.5116 8.7212 116.9540 57.6504 65.4738 175.0409 121 N 4.3507 8.5676 119.4416 56.7845 38.6021 176.4358 122 D 4.3458 8.0431 120.1303 57.2912 40.9469 178.2327 123 D 4.4727 7.8468 121.0028 56.6691 40.7361 178.9110 124 V 3.6142 7.7738 118.7918 66.0740 31.4877 177.8302 125 Q 3.9419 8.4311 119.6625 59.4122 28.8098 177.8276 126 M 3.8696 7.7589 119.1532 58.6984 32.0718 177.5914 127 Y 4.0267 8.1399 119.5752 60.7690 39.0179 177.6163 128 E 3.9535 8.5775 119.8251 59.4759 29.3616 179.2474 129 F 4.2984 8.4041 119.6585 61.3382 39.6681 176.7938 130 L 4.0176 8.3288 118.8070 57.9209 41.3766 179.8225 131 K 3.8501 7.9986 118.2407 59.1334 31.6400 178.6668 132 Y 3.6957 7.8486 119.5329 60.7778 38.7372 177.2679 133 Y 4.1587 7.6510 114.7411 57.5829 38.2608 175.7020 134 G 3.7923 7.9191 108.2331 46.5050 0.0000 173.6584 135 I 4.1839 7.6555 119.8985 59.0781 38.4051 174.2702 136 P 4.4681 0.0000 0.0000 62.6332 31.9022 175.3389 137 V 4.8439 8.8965 123.3147 61.1785 34.9173 174.1659 138 I 4.5263 8.7527 128.9847 59.7009 39.0755 174.8042 139 V 4.2867 8.5587 128.7718 62.0864 32.8816 174.6346 140 I 4.7311 8.5137 129.0782 59.4652 39.5463 174.4315 141 A 4.9066 8.8418 130.5169 50.7117 20.5435 176.6299 142 T 4.8960 8.9207 114.0181 61.2633 72.1078 175.3208 143 K 4.0854 8.7831 116.8668 57.5557 29.5625 178.1626 144 A 4.0508 7.9928 124.6945 54.8141 18.3537 180.5025 145 D 4.6412 8.0104 114.3169 55.7813 39.6815 177.3192 146 K 4.2878 7.9976 117.9152 57.0155 32.4346 176.5474 147 I 4.5416 7.4970 120.1498 58.3150 39.5704 173.8325 148 P 4.1768 0.0000 0.0000 62.6178 32.0545 177.3913 149 K 2.0000 8.2078 121.4497 58.9389 31.5958 179.7165 150 G 3.6635 7.7270 103.9143 46.5875 0.0000 174.4440 151 K 4.5193 7.8096 119.2478 55.8997 32.8489 177.9037 152 W 4.6086 7.8437 121.0066 60.1087 28.9553 177.7231 153 D 4.3825 8.2443 117.2224 57.1548 40.9197 177.7396 154 K 3.8671 8.1839 119.6874 60.1791 32.1396 178.2708 155 H 4.1913 8.5343 116.0410 58.5577 28.5192 177.5698 156 A 3.9783 8.5515 123.1365 55.3006 18.1759 179.8521 157 K 3.9057 8.3425 117.1211 59.4493 32.0755 179.7845 158 V 3.5399 7.6932 118.2542 65.8784 31.4711 178.2179 159 V 3.5041 7.6900 117.9274 66.0266 31.4071 177.9099 160 R 3.7759 8.1921 118.6910 59.6744 29.7170 178.5299 161 Q 4.0518 8.2230 116.9174 58.8266 28.7433 178.4921 162 T 3.9976 7.6887 116.2623 66.7292 68.6778 176.5294 163 L 3.9707 7.8111 118.6716 54.8581 42.6975 176.3415 164 N 4.1107 7.8643 116.4328 53.9986 37.4471 174.6229 165 I 3.5265 7.3780 117.9199 61.4941 38.3984 176.3363 166 D 4.5471 9.2662 125.2033 53.5998 41.6383 175.4812 167 P 4.3364 0.0000 0.0000 65.3988 31.4620 177.2543 168 E 4.2472 9.2825 116.7161 57.4547 29.8543 176.0981 169 D 4.9361 7.8828 119.0654 53.0843 42.5060 176.1907 170 E 4.4573 8.2119 118.4495 55.5605 31.5660 175.0313 171 L 5.0721 8.4039 124.3569 53.3968 44.3151 175.3756 172 I 4.5649 8.8642 127.2842 59.4247 40.2020 174.7137 173 L 4.7226 8.3732 126.8253 54.0890 43.3370 175.5591 174 F 5.0831 9.0751 124.4847 56.5900 43.7500 173.1231 175 S 4.8573 7.8244 118.3238 56.5251 64.7483 175.1298 176 S 4.2267 9.1121 123.2453 60.8997 63.1311 175.2136 177 E 4.1423 8.0279 121.3080 58.7930 29.5549 177.4012 178 T 4.0649 7.6596 105.4121 61.5093 69.6838 175.1712 179 K 3.5955 8.1219 121.1805 56.5404 30.4620 175.2944 180 K 3.8884 7.2183 120.6053 58.0408 32.4381 177.8777 181 G 4.3980 8.7789 112.2301 46.7264 0.0000 175.2343 182 K 4.2210 8.1149 121.3296 59.7318 32.2175 178.4149 183 D 4.5617 8.1761 118.6798 57.5702 40.7801 178.5143 184 E 4.0459 8.2998 118.3260 59.2649 29.4463 179.0947 185 A 3.9918 8.4997 121.1386 55.0734 18.4269 179.5992 186 W 4.4680 8.3782 117.6645 59.9560 29.1485 178.8422 187 G 3.7764 8.7479 105.8065 48.0631 0.0000 175.6187 188 A 4.1105 8.3508 123.5608 54.6198 18.3414 179.8249 189 I 3.7215 8.2208 118.8339 64.6065 37.2611 178.7763 190 K 4.1072 8.6515 119.6748 59.4165 31.6420 179.4400 191 K 4.1172 8.0681 117.8707 59.9821 32.0680 178.9479 192 M 4.2737 7.9274 117.7456 58.1873 32.0322 178.5500 193 I 4.0740 8.0289 119.2359 62.7194 37.3434 176.2930 194 N 5.0068 7.7708 116.4321 52.4668 37.6830 174.9415 195 R 4.1872 8.0608 123.3015 57.4110 30.3493 176.4528 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 1 M 8.29 4.13 0.00 1.52 1.78 0.00 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.00 2 K 8.18 4.03 0.00 1.84 1.69 0.00 1.39 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.45 7.81 3 V 8.29 4.03 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 1.02 0.00 0.00 0.80 0.00 0.00 4 T 8.19 4.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 5 K 7.50 4.57 0.00 1.79 1.61 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 S 8.87 5.76 0.00 3.93 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 7 E 8.68 4.90 0.00 2.06 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 2.30 2.35 0.00 8 I 8.47 4.02 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.09 0.91 0.00 0.00 9 V 8.34 4.26 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 0.77 0.00 0.00 1.03 0.00 0.00 10 I 7.22 4.23 1.79 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 1.31 0.90 0.77 0.00 0.00 11 S 8.81 5.21 0.00 3.78 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 12 A 9.23 5.04 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 13 V 9.23 4.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 14 K 7.54 4.63 0.00 1.68 1.79 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 15 P 0.00 2.97 0.00 1.91 1.77 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 16 E 7.89 3.89 0.00 1.83 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 2.25 2.32 0.00 17 Q 7.52 4.33 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 18 Y 7.40 3.93 0.00 2.91 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.34 0.00 1.86 1.85 0.00 2.90 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 20 E 8.12 4.43 0.00 1.94 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 0.00 2.26 2.28 0.00 21 G 9.58 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.40 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.33 4.36 0.00 1.55 1.66 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.71 0.00 2.18 2.23 0.00 3.75 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 2.26 2.05 0.00 25 E 9.23 5.42 0.00 2.03 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 2.44 2.60 0.00 26 I 8.89 5.01 2.25 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 1.35 1.26 0.93 0.00 0.00 27 A 8.62 4.94 1.20 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 0.00 0.00 28 L 8.95 5.16 0.00 1.34 1.38 0.54 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.95 5.06 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 30 G 8.11 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 31 R 8.07 2.81 0.00 1.76 1.68 0.00 3.04 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 32 S 7.27 4.65 0.00 3.76 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 33 N 8.53 4.28 0.00 2.75 2.84 0.00 0.00 6.75 7.68 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 34 V 7.80 3.66 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 1.04 0.00 0.00 0.92 0.00 0.00 35 G 7.66 3.56 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 0.00 0.00 0.00 36 K 7.77 3.84 0.00 1.89 1.93 0.00 1.83 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.38 7.81 37 S 8.27 4.06 0.00 4.02 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 38 S 8.02 4.08 0.00 4.06 4.07 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 39 F 8.22 4.09 0.00 2.95 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 40 I 7.72 3.34 1.81 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 1.12 0.59 0.74 0.00 0.00 41 N 8.22 4.32 0.00 2.85 3.09 0.00 0.00 7.07 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 126 M 7.76 3.87 0.00 1.83 0.73 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.20 0.00 127 Y 8.14 4.03 0.00 3.20 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 0.00 128 E 8.58 3.95 0.00 2.31 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 2.42 2.56 0.00 129 F 8.40 4.30 0.00 3.00 3.34 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 0.00 130 L 8.33 4.02 0.00 1.75 1.63 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.00 3.85 0.00 1.58 1.69 0.00 1.32 0.00 0.00 1.02 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.66 1.03 7.81 132 Y 7.85 3.70 0.00 3.00 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 0.00 133 Y 7.65 4.16 0.00 2.89 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 0.00 134 G 7.92 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 0.00 135 I 7.66 4.18 1.83 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 1.42 0.80 0.90 0.00 0.00 136 P 0.00 4.47 0.00 2.08 1.98 0.00 3.62 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 2.21 2.08 0.00 137 V 8.90 4.84 2.44 0.00 0.00 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 0.93 0.00 0.00 138 I 8.75 4.53 1.82 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 1.12 0.61 0.86 0.00 0.00 139 V 8.56 4.29 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 0.71 0.00 0.00 0.84 0.00 0.00 140 I 8.51 4.73 1.20 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.01 0.32 0.00 0.00 141 A 8.84 4.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.92 4.90 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 143 K 8.78 4.09 0.00 2.05 1.96 0.00 1.57 0.00 0.00 2.18 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.51 7.81 144 A 7.99 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.01 4.64 0.00 2.84 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 0.00 146 K 8.00 4.29 0.00 1.82 1.92 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.57 7.81 147 I 7.50 4.54 2.17 0.00 0.00 0.82 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 0.64 0.87 0.00 0.00 148 P 0.00 4.18 0.00 2.05 1.86 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 149 K 8.21 2.00 0.00 1.27 1.04 0.00 1.40 0.00 0.00 1.45 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.92 7.81 150 G 7.73 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 0.00 151 K 7.81 4.52 0.00 1.88 1.95 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.62 7.81 152 W 7.84 4.61 0.00 3.50 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 0.00 153 D 8.24 4.38 0.00 2.87 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 0.00 154 K 8.18 3.87 0.00 1.89 2.01 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 155 H 8.53 4.19 0.00 3.30 3.55 0.00 5.68 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 0.00 156 A 8.55 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 0.00 157 K 8.34 3.91 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.60 7.81 158 V 7.69 3.54 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 0.97 0.00 0.00 0.91 0.00 0.00 159 V 7.69 3.50 2.16 0.00 0.00 0.00 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 0.93 0.00 0.00 160 R 8.19 3.78 0.00 1.84 2.09 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 161 Q 8.22 4.05 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 162 T 7.69 4.00 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 163 L 7.81 3.97 0.00 1.25 1.13 0.63 0.87 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 0.00 164 N 7.86 4.11 0.00 2.86 2.88 0.00 0.00 7.18 7.77 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 0.00 165 I 7.38 3.53 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.54 0.89 0.00 0.00 166 D 9.27 4.55 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 0.00 167 P 0.00 4.34 0.00 2.09 2.12 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 168 E 9.28 4.25 0.00 2.00 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 2.34 2.42 0.00 169 D 7.88 4.94 0.00 2.83 2.75 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 0.00 170 E 8.21 4.46 0.00 1.95 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 2.31 2.27 0.00 171 L 8.40 5.07 0.00 1.54 1.49 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 172 I 8.86 4.56 1.85 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 1.24 0.69 0.98 0.00 0.00 173 L 8.37 4.72 0.00 1.24 1.25 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 174 F 9.08 5.08 0.00 3.06 2.78 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 0.00 0.00 0.00 0.00 175 S 7.82 4.86 0.00 3.76 3.42 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 0.00 176 S 9.11 4.23 0.00 4.00 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 0.00 177 E 8.03 4.14 0.00 1.92 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 2.29 2.27 0.00 178 T 7.66 4.06 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 1.22 0.00 0.00 179 K 8.12 3.60 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.29 1.48 7.81 180 K 7.22 3.89 0.00 1.68 1.44 0.00 1.29 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.34 1.22 7.81 181 G 8.78 4.40 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 0.00 182 K 8.11 4.22 0.00 1.94 1.95 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.72 1.71 7.81 183 D 8.18 4.56 0.00 2.80 2.79 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 0.00 184 E 8.30 4.05 0.00 2.28 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 2.43 2.48 0.00 185 A 8.50 3.99 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 0.00 186 W 8.38 4.47 0.00 3.75 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 0.00 187 G 8.75 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.35 4.11 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 0.00 189 I 8.22 3.72 2.22 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 1.17 0.00 0.00 190 K 8.65 4.11 0.00 1.98 1.93 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.80 1.69 7.81 191 K 8.07 4.12 0.00 1.95 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.83 7.81 192 M 7.93 4.27 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.94 0.00 193 I 8.03 4.07 1.96 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 1.66 0.65 0.96 0.00 0.00 194 N 7.77 5.01 0.00 2.83 2.90 0.00 0.00 6.94 8.17 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 0.00 195 R 8.06 4.19 0.00 1.84 1.89 0.00 3.26 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.