NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2937 8.3027 121.4779 56.2147 31.1195 177.2652 5 K 3.8253 7.8138 117.7334 56.9094 32.2566 176.8729 6 L 3.8263 7.2643 121.7644 58.5840 42.6970 178.4480 7 K 4.0411 8.0749 117.8423 59.6854 32.2897 178.5789 8 A 4.0542 7.4418 120.6528 54.3605 18.3545 178.1845 9 A 4.0960 7.7273 119.2169 53.7305 19.0945 177.6328 10 L 4.0387 7.4148 116.5553 53.5740 41.9036 175.3749 11 P 4.2008 0.0000 0.0000 62.2320 32.0282 176.9958 12 E 3.7894 8.3403 118.8642 59.4513 29.4587 178.0383 13 Y 4.3283 7.1230 113.4630 58.5347 38.3853 175.7603 14 A 4.7437 7.4333 123.6628 52.1043 19.9130 178.5790 15 K 3.7874 7.9798 122.0512 61.5840 32.2138 178.3855 16 D 4.4336 8.1950 118.1544 57.2875 40.6349 178.8861 17 I 3.6635 7.6587 120.4095 64.1912 37.0938 177.9274 18 K 3.7912 8.1063 119.9066 59.7625 31.9615 178.2006 19 L 3.9693 7.7300 118.3854 58.1386 41.5918 179.4348 20 N 4.4370 7.9763 117.0607 55.4814 38.2911 177.2953 21 L 3.8576 7.9311 121.7270 58.4441 42.4005 179.0774 22 S 4.1588 8.2948 115.4924 61.4829 62.1678 176.7604 23 S 4.2930 7.8229 115.9274 60.8255 63.2018 176.3451 24 I 3.6660 8.0623 121.4739 63.3533 37.6552 176.9710 25 T 4.0720 7.4352 113.2357 63.2331 68.0205 175.4004 26 R 4.6454 7.6014 117.2360 54.7984 30.8819 175.9040 27 S 4.5509 7.1677 110.3463 59.3725 65.4338 174.6574 28 S 4.3831 8.3814 114.4110 57.8909 64.5834 174.3548 29 V 4.2655 8.5083 126.4648 62.5301 32.6593 174.9384 30 L 4.8498 7.4350 117.9083 52.5619 44.8785 176.1307 31 D 4.6761 8.3325 121.3005 53.3857 41.5006 177.0616 32 Q 4.2055 8.6036 119.0090 59.0120 28.9708 177.3829 33 E 4.2013 8.3860 120.2707 59.2630 29.8633 178.2375 34 Q 4.1744 8.8400 118.4549 59.9032 28.8489 178.1225 35 L 3.9265 8.5855 121.6698 58.0896 41.9588 178.7356 36 W 4.1867 8.8255 119.6486 59.5551 29.3202 178.9491 37 G 2.7955 8.3600 106.0279 47.3178 0.0000 176.1532 38 T 3.8519 7.9012 117.9567 66.6320 68.5944 176.8544 39 L 3.8766 8.0695 121.2239 57.4563 41.5046 179.5396 40 L 3.8638 7.8780 120.1761 58.1313 42.0148 178.9218 41 A 3.9310 7.5701 120.6404 54.9346 18.2294 179.8781 42 S 3.9568 7.9377 113.6309 61.7062 62.7237 176.5511 43 A 3.9548 7.7022 121.7689 55.1214 18.4046 179.1969 44 A 4.0429 8.0122 118.8736 55.4064 18.3020 179.8193 45 A 4.0050 8.0491 118.2683 55.2118 18.4781 179.4995 46 T 3.9186 7.7328 107.0616 62.6594 68.9141 175.5958 47 R 3.7788 7.5857 118.9662 56.9289 28.7395 175.7230 48 N 4.6592 7.9456 118.2514 51.7889 39.6301 173.6361 49 P 4.2315 0.0000 0.0000 66.0868 31.3843 178.1124 50 Q 3.9132 8.0880 119.0390 58.8574 28.9456 178.3196 51 V 3.5704 8.6442 119.6217 65.7703 31.4600 177.7083 52 L 3.9006 7.8898 119.6382 58.0286 41.9436 178.6652 53 A 3.9737 8.1992 120.8027 55.4956 18.2593 179.3171 54 D 4.3318 8.2958 117.2153 57.7026 40.9896 179.2577 55 I 4.0911 8.2992 120.5903 63.9611 36.8741 178.7326 56 G 3.5957 8.2619 106.4945 47.5183 0.0000 175.3212 57 A 4.0818 8.0014 123.1295 55.2528 18.1639 179.5180 58 E 3.6689 8.0129 116.4296 59.4105 29.4319 179.5291 59 A 3.8995 7.8629 120.0094 54.4388 17.8636 179.6201 60 T 3.6585 7.7838 109.0503 64.9771 68.5615 175.8621 61 D 4.4267 7.1972 117.6833 55.7281 40.8109 176.4036 62 H 4.8883 7.4008 112.7341 54.4978 31.2202 173.2391 63 L 4.8355 8.3826 119.6460 52.5319 44.1496 177.3460 64 S 4.5217 8.3196 116.7927 57.4363 66.0745 174.9510 65 A 3.8150 8.3758 121.8918 55.5999 18.3463 179.6611 66 A 4.0772 8.0933 118.3491 55.0126 18.3739 179.5430 67 A 4.1672 8.0481 119.6372 55.3489 18.5614 179.4423 68 R 3.7043 7.7570 116.4886 60.2251 30.0472 178.5365 69 H 4.3837 8.1828 115.3588 58.7406 28.6416 177.7393 70 A 4.2607 8.1302 122.1865 54.8742 18.1609 179.5935 71 A 3.8118 8.5979 119.7210 55.4391 18.4965 179.9352 72 L 4.0616 8.3578 118.0391 57.8679 41.5993 180.0684 73 G 3.7945 8.6074 105.6727 47.3218 0.0000 175.8156 74 A 3.9642 8.0625 122.4206 55.0659 18.4449 179.2043 75 A 4.0463 7.6331 117.7134 55.0970 18.5042 179.4985 76 A 4.1494 7.7510 118.1457 55.1529 18.6873 181.5515 77 I 4.0612 7.8009 115.9660 61.0187 38.1831 176.5862 *79 G 3.7833 7.8749 104.2421 45.1382 0.0000 174.0319 *81 N 4.9798 8.0509 118.8390 53.2150 40.1994 176.6566 82 N 4.4108 8.1311 114.7610 55.7004 38.4333 177.4601 83 V 3.5181 7.6784 119.4875 65.5760 31.9992 177.2941 84 F 3.9369 8.1131 119.7432 61.8029 39.1090 176.5935 85 Y 3.8542 8.1280 116.2720 60.7450 37.6651 178.5641 86 R 3.6024 7.5279 119.5826 59.2057 29.9660 178.7630 87 G 3.4296 7.5976 104.2866 47.6237 0.0000 175.3212 88 R 3.8537 7.5581 121.1150 59.1094 29.8990 178.8772 89 G 3.6238 7.7949 104.2132 47.8168 0.0000 175.2878 90 F 4.8308 7.8893 119.5875 59.8099 38.8637 176.1086 91 L 4.6780 8.0623 118.5770 54.5622 42.2594 176.5544 92 E 3.8151 8.8119 115.7514 57.5289 27.7040 175.8368 93 G 4.4268 8.3612 103.1276 46.4977 0.0000 176.4549 94 R 4.0156 8.1867 119.0343 58.3543 29.8522 177.0405 95 Y 4.4079 7.9725 113.8569 57.6770 38.7346 176.6694 96 D 4.6434 8.0048 121.3232 56.1112 41.1923 178.1405 97 D 4.3757 7.7607 118.4466 55.6302 40.0561 177.4390 98 L 3.9986 7.8311 118.1629 54.6780 42.1353 176.4514 99 R 4.3515 8.3593 121.7982 54.7160 29.4434 174.0622 100 P 4.2150 0.0000 0.0000 65.9686 31.3866 178.4258 101 G 3.7627 8.0818 102.3509 45.9328 0.0000 172.5990 102 L 4.3105 6.9120 118.3532 52.7105 42.4497 176.7313 103 R 4.1488 8.3916 124.8140 56.5925 31.0523 176.9555 104 M 4.7829 8.1510 122.7503 53.4276 31.3069 176.2880 105 N 4.3607 8.3999 118.5212 57.2140 39.2172 177.6169 106 I 3.6746 7.6837 117.3557 63.7589 38.4625 177.1287 107 I 3.5211 7.7197 120.5337 64.1820 36.9297 176.9738 108 A 3.9977 7.1794 124.2261 53.3311 15.7625 173.8244 109 N 3.9771 8.3133 115.6637 53.0007 36.9535 173.5078 110 P 4.7406 0.0000 0.0000 62.8373 30.4037 177.6694 111 G 4.0993 8.7187 107.1802 44.6420 0.0000 171.6308 112 I 4.6312 7.2896 112.0028 57.7515 40.8629 172.5128 113 P 4.1827 0.0000 0.0000 63.1679 31.1104 177.2429 114 K 3.7974 8.9365 122.9417 59.4556 31.7125 178.8519 115 A 3.9621 7.8673 120.5822 54.9703 18.2930 179.2772 116 N 3.6991 8.1238 115.2737 56.0173 38.5107 177.4467 117 F 3.8965 7.7076 121.4955 61.2724 39.5420 176.8267 118 E 3.9608 8.2052 118.2739 59.2435 29.2181 179.1308 119 L 3.9483 7.3130 120.5755 57.9363 42.1516 179.1324 120 W 4.4364 7.8340 118.9922 59.9021 28.9383 178.7569 121 S 3.9935 8.1842 115.4515 61.1738 62.1584 176.4565 122 F 4.1179 8.2025 123.2202 61.2895 39.1043 176.8802 123 A 3.8061 8.2638 120.2900 55.3325 18.1191 179.8389 124 V 3.5014 7.8144 116.5889 66.1529 31.5426 178.3017 125 S 4.0645 8.1846 114.8097 61.5016 62.3708 176.6683 126 A 3.8061 7.2998 122.5277 55.0875 18.1705 179.4770 127 I 3.7530 7.1720 116.9677 64.6372 37.2899 178.2056 128 N 4.5133 8.3409 116.2935 53.7228 39.2115 174.9945 129 G 3.5166 8.1717 107.3497 47.1385 0.0000 174.9942 130 C 4.5961 7.5533 118.9716 57.1295 33.3907 172.6789 131 S 4.1703 8.5004 124.8880 61.5108 62.5545 175.6606 132 H 4.0164 8.1263 121.2734 59.5308 29.6528 177.0035 133 C 4.1353 8.0871 117.9189 62.4645 28.0486 175.7297 134 L 4.0039 8.3942 122.6902 58.0153 41.5998 179.2899 135 V 3.6130 8.4778 118.3919 65.8441 31.5603 177.6287 136 A 3.9197 8.0852 120.7866 55.8567 18.2453 179.4870 137 H 4.3662 8.4241 114.6203 58.8734 28.8561 177.7536 138 E 3.8560 8.4017 121.4248 59.1656 29.3320 178.4719 139 H 4.2382 8.4992 118.6512 59.6249 30.0048 177.1558 140 T 3.7716 7.9155 117.5239 66.7827 68.2349 176.2989 141 L 3.8863 7.9441 120.5478 58.0236 41.8507 179.7484 142 R 4.4048 7.7695 118.6852 59.0309 29.7457 179.4670 143 T 3.9176 8.0253 115.5080 66.3828 68.5960 176.5418 144 V 3.9024 7.7777 117.9786 62.3270 31.5502 176.8756 145 G 3.9298 7.7699 108.0312 45.2735 0.0000 174.1097 146 V 3.8892 7.8256 120.2358 60.8160 32.5958 175.2972 147 D 4.9078 8.2622 121.6228 51.9516 41.3681 177.3308 148 R 3.8231 8.6287 119.8270 60.0624 29.9217 178.9243 149 E 4.1213 7.7285 116.0896 59.1096 29.4316 179.3724 150 A 3.9546 8.7783 121.2132 55.1937 18.5002 179.4505 151 I 3.3190 7.6838 117.8219 64.5598 37.1389 178.0822 152 F 4.2173 8.7644 121.4810 61.4456 39.1364 176.6232 153 E 3.8814 8.2221 118.2024 59.3269 29.2882 178.6930 154 A 4.0192 7.9537 120.2993 54.9442 18.4608 179.3617 155 L 3.8100 7.9090 118.9611 58.2854 42.1133 179.4011 156 K 3.7761 7.7100 118.1852 59.1394 31.9336 179.1518 157 A 3.8368 8.1079 120.9013 55.0704 18.3959 179.2437 158 A 4.1632 8.4006 120.6575 54.6894 18.3955 179.7202 159 A 3.8773 7.9566 118.9165 55.3639 18.4320 179.9096 160 I 3.6007 7.9148 118.5362 64.5603 37.1309 178.8740 161 V 3.5672 7.8302 119.0240 65.9853 31.2734 178.2345 162 S 4.1933 8.0750 115.0730 61.5419 62.6045 176.9414 163 G 3.5876 8.0057 108.4570 47.5435 0.0000 175.8559 164 V 3.5627 7.9657 120.4385 65.7883 31.5493 177.8976 165 A 3.9710 8.0998 120.4363 55.2321 18.1618 179.3356 166 Q 3.8731 8.0989 117.7439 59.2110 28.9246 178.0866 167 A 4.0878 7.9205 120.5611 55.5188 18.8114 179.2850 168 L 4.0737 8.1344 117.0395 57.9751 41.4607 179.7372 169 A 4.1054 7.9401 119.7521 54.9891 18.3840 178.8422 170 T 4.0841 7.8102 109.1327 63.3330 67.3858 174.2864 171 I 4.0326 7.5083 125.4713 62.3869 37.2075 175.5727 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 E 8.30 4.29 0.00 2.08 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 2.28 2.37 0.00 5 K 7.81 3.83 0.00 1.95 1.78 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.55 7.81 6 L 7.26 3.83 0.00 2.01 1.66 0.95 0.40 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 7 K 8.07 4.04 0.00 1.98 2.06 0.00 1.58 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.46 7.81 8 A 7.44 4.05 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 9 A 7.73 4.10 1.35 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 0.00 0.00 0.00 10 L 7.41 4.04 0.00 1.82 1.60 0.94 0.83 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 11 P 0.00 4.20 0.00 1.03 1.87 0.00 3.62 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 1.74 1.84 0.00 12 E 8.34 3.79 0.00 1.94 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 2.35 2.34 0.00 13 Y 7.12 4.33 0.00 3.05 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 14 A 7.43 4.74 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.98 3.79 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 16 D 8.20 4.43 0.00 2.82 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 17 I 7.66 3.66 2.01 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 1.52 0.89 0.89 0.00 0.00 18 K 8.11 3.79 0.00 1.80 1.96 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.55 7.81 19 L 7.73 3.97 0.00 1.91 1.71 0.92 0.51 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 20 N 7.98 4.44 0.00 2.92 2.84 0.00 0.00 6.19 6.15 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 21 L 7.93 3.86 0.00 1.75 1.87 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.29 4.16 0.00 4.07 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 23 S 7.82 4.29 0.00 4.06 4.10 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 24 I 8.06 3.67 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.88 0.00 0.00 25 T 7.44 4.07 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 1.38 0.00 0.00 26 R 7.60 4.65 0.00 2.07 2.10 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 27 S 7.17 4.55 0.00 3.95 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 28 S 8.38 4.38 0.00 3.84 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 29 V 8.51 4.27 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 0.91 0.00 0.00 0.96 0.00 0.00 30 L 7.44 4.85 0.00 1.64 1.55 0.94 1.07 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 31 D 8.33 4.68 0.00 2.93 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 32 Q 8.60 4.21 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 33 E 8.39 4.20 0.00 2.23 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 0.00 2.82 2.68 0.00 34 Q 8.84 4.17 0.00 2.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 35 L 8.59 3.93 0.00 1.89 1.53 0.73 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.83 4.19 0.00 3.69 3.35 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 0.00 37 G 8.36 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 0.00 0.00 0.00 38 T 7.90 3.85 4.54 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 1.24 0.00 0.00 39 L 8.07 3.88 0.00 1.57 1.54 -0.26 0.17 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 40 L 7.88 3.86 0.00 1.81 1.54 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.57 3.93 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 42 S 7.94 3.96 0.00 4.00 3.85 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 43 A 7.70 3.95 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 44 A 8.01 4.04 1.35 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 0.00 0.00 0.00 45 A 8.05 4.00 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 46 T 7.73 3.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 47 R 7.59 3.78 0.00 1.98 2.09 0.00 3.20 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 48 N 7.95 4.66 0.00 2.77 2.69 0.00 0.00 6.95 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 49 P 0.00 4.23 0.00 2.30 2.29 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 50 Q 8.09 3.91 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 51 V 8.64 3.57 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 1.02 0.00 0.00 0.98 0.00 0.00 52 L 7.89 3.90 0.00 2.00 1.77 0.92 1.10 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 53 A 8.20 3.97 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 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0.00 2.89 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.38 4.84 0.00 1.67 1.56 1.11 0.90 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 64 S 8.32 4.52 0.00 4.08 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 65 A 8.38 3.82 1.35 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 0.00 0.00 0.00 66 A 8.09 4.08 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 67 A 8.05 4.17 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.76 3.70 0.00 1.90 1.93 0.00 3.06 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 69 H 8.18 4.38 0.00 3.29 3.36 0.00 5.67 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 70 A 8.13 4.26 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 *81 N 8.05 4.98 0.00 3.13 3.31 0.00 0.00 7.04 6.92 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 82 N 8.13 4.41 0.00 2.76 2.89 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 83 V 7.68 3.52 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 1.12 0.00 0.00 0.97 0.00 0.00 84 F 8.11 3.94 0.00 2.97 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 85 Y 8.13 3.85 0.00 3.16 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.53 3.60 0.00 1.59 1.78 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.04 0.00 87 G 7.60 3.43 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 0.00 88 R 7.56 3.85 0.00 1.37 1.77 0.00 3.12 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.46 0.00 89 G 7.79 3.62 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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 0.00 131 S 8.50 4.17 0.00 4.11 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 0.00 132 H 8.13 4.02 0.00 3.19 3.31 0.00 5.67 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 0.00 133 C 8.09 4.14 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.39 4.00 0.00 1.79 1.79 0.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.48 3.61 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 1.01 0.00 0.00 0.99 0.00 0.00 136 A 8.09 3.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.42 4.37 0.00 3.50 3.49 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.40 3.86 0.00 2.45 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 2.11 2.53 0.00 139 H 8.50 4.24 0.00 3.20 3.39 0.00 5.68 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 0.00 140 T 7.92 3.77 4.47 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 1.25 0.00 0.00 141 L 7.94 3.89 0.00 1.77 1.58 0.59 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.77 4.40 0.00 1.90 1.98 0.00 3.12 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 143 T 8.03 3.92 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 1.15 0.00 0.00 144 V 7.78 3.90 2.15 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 0.74 0.00 0.00 0.90 0.00 0.00 145 G 7.77 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 0.00 0.00 0.00 146 V 7.83 3.89 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 0.72 0.00 0.00 0.86 0.00 0.00 147 D 8.26 4.91 0.00 2.85 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 0.00 148 R 8.63 3.82 0.00 1.83 2.04 0.00 3.10 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 149 E 7.73 4.12 0.00 2.17 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 2.31 2.47 0.00 150 A 8.78 3.95 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 0.00 151 I 7.68 3.32 1.88 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 1.21 1.02 0.20 0.00 0.00 152 F 8.76 4.22 0.00 3.18 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 0.00 153 E 8.22 3.88 0.00 2.35 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 2.31 2.36 0.00 154 A 7.95 4.02 1.56 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 0.00 155 L 7.91 3.81 0.00 1.84 1.74 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.71 3.78 0.00 1.71 1.68 0.00 1.54 0.00 0.00 1.36 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.70 1.20 7.81 157 A 8.11 3.84 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 0.00 158 A 8.40 4.16 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 0.00 159 A 7.96 3.88 1.30 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 0.00 0.00 0.00 160 I 7.91 3.60 1.92 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 1.37 0.63 0.85 0.00 0.00 161 V 7.83 3.57 2.15 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 0.99 0.00 0.00 0.88 0.00 0.00 162 S 8.08 4.19 0.00 4.08 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.01 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.56 2.24 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 1.00 0.00 0.00 0.94 0.00 0.00 165 A 8.10 3.97 1.36 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 0.00 166 Q 8.10 3.87 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 167 A 7.92 4.09 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 0.00 168 L 8.13 4.07 0.00 1.91 1.74 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.94 4.11 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 0.00 170 T 7.81 4.08 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 1.53 0.00 0.00 171 I 7.51 4.03 2.11 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 1.16 0.54 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.