NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3913 8.1933 115.5356 58.1167 64.8791 172.2539 1 L 4.9784 8.2472 122.0934 52.8075 45.4586 174.2787 2 T 4.6946 9.7082 120.7705 61.8345 71.7366 172.9171 3 L 5.2628 8.6755 126.6319 54.0514 43.3303 176.0108 4 R 4.8490 8.8186 117.6013 54.8418 33.3334 174.1506 5 L 4.2973 8.6231 119.8902 54.7482 42.1517 177.2723 6 A 4.4891 8.8045 125.3110 52.0957 19.3040 176.5464 7 E 4.8997 9.4993 118.7722 53.8748 33.8578 176.7248 8 H 3.4031 9.2009 119.6011 59.5633 29.4824 177.0653 9 R 4.1088 7.8960 114.3302 58.1238 29.5489 177.2625 10 D 4.5202 8.1571 120.0887 55.7619 41.0453 177.7776 11 L 3.6176 7.3903 121.5719 58.2558 41.7170 178.8802 12 E 3.8686 7.9799 117.4234 59.4362 29.4363 179.0631 13 A 4.0056 7.8893 120.2704 54.9305 18.5801 179.6320 14 V 3.4474 7.9426 116.9924 66.2058 31.5110 178.4970 15 V 3.5554 8.0240 118.0218 65.8189 31.3367 177.6871 16 A 4.0390 8.2766 120.7215 55.5032 17.9185 179.7785 17 I 3.9556 8.2587 119.7547 63.8624 37.1786 178.2099 18 Y 4.1310 8.1139 120.4510 60.9053 38.6137 177.5359 19 N 4.2013 8.6260 118.0151 56.3211 38.5148 177.5547 20 S 4.1394 8.3098 115.6302 61.6490 62.9327 176.9106 21 T 3.8819 7.5369 119.1846 66.3601 68.1343 176.9341 22 I 3.6296 7.2204 112.8190 63.3184 37.4696 177.4516 23 A 4.2950 7.5952 124.4968 54.9629 18.7516 179.6190 24 S 4.0893 7.5245 114.6511 61.4035 62.6104 177.7096 *32 E 4.2739 7.5967 122.2068 56.6844 30.4585 174.5077 33 P 4.2064 0.0000 0.0000 62.9347 31.1079 175.2578 34 V 4.3356 7.9915 122.5735 60.5642 33.1429 175.0138 35 T 4.6269 7.9938 115.5740 59.0189 70.8541 173.6349 36 P 4.1679 0.0000 0.0000 66.3211 31.6945 179.1976 37 E 3.9332 8.3147 115.8060 59.3907 29.7597 181.8624 38 D 4.8915 7.9761 115.9890 52.9658 39.8761 179.2306 39 R 4.5098 7.4616 120.7087 55.3481 30.3440 174.9034 *41 E 4.3003 8.2614 121.2334 55.6319 31.9654 178.1185 42 W 4.1252 8.4758 126.4214 60.4292 30.9004 177.1882 43 F 3.6678 8.0894 120.4658 61.4475 38.6898 177.2227 44 S 4.1375 8.0922 111.8911 60.4860 62.7901 176.2383 45 G 3.5494 7.4779 107.9539 46.4757 0.0000 173.9520 46 H 4.2879 6.6979 117.7489 55.8530 29.4036 174.4677 47 T 4.6330 8.1903 111.0624 59.9468 71.7504 174.4129 48 E 3.8866 8.7507 119.8372 59.0586 29.4877 178.3438 49 S 4.5141 7.2938 109.2111 59.0448 64.2597 174.5643 50 R 4.7741 7.6104 120.2296 53.7004 30.3104 172.8862 51 P 4.8275 0.0000 0.0000 61.5150 34.7325 174.9939 52 L 4.9658 7.7426 120.9176 53.4539 44.3770 174.4109 53 Y 5.3044 9.5214 123.9442 56.4008 41.3925 175.2081 54 V 5.2341 9.0241 114.7387 59.6091 36.0303 174.3427 55 A 5.3783 9.2111 124.6537 50.3943 21.4980 175.0818 56 E 5.1006 9.2124 122.8273 54.8176 32.3281 176.8671 57 D 5.1078 9.1504 125.1082 52.6195 41.6565 177.0306 58 E 4.0028 8.7633 113.8325 59.6013 29.6538 173.4362 59 N 4.5458 8.5420 114.4668 53.8340 38.7839 175.9924 60 G 3.9374 8.2416 106.6949 45.5318 0.0000 172.9585 61 N 4.7972 8.0261 116.4177 51.0233 40.1961 174.6913 62 V 4.1540 8.4058 121.7568 63.2674 31.6544 175.2319 63 A 4.7956 9.0411 129.3227 52.3058 21.2052 175.3129 64 A 5.0423 7.8639 115.5950 51.3679 22.9261 174.9012 65 W 5.8550 8.8252 115.1286 55.4803 32.3206 173.9498 66 I 5.1551 9.5150 122.2945 59.7264 40.2610 174.2781 67 S 5.3123 9.5989 122.2001 56.5846 65.1125 172.3753 68 F 5.4583 9.2891 126.2803 56.0539 40.6370 175.1319 69 E 4.9998 9.4464 122.4519 54.3677 33.9385 175.6287 70 T 4.3813 8.5706 112.2564 61.9050 69.7818 174.3918 71 F 4.7378 9.0428 126.1457 60.7220 39.8923 175.3116 72 Y 4.6584 7.7263 119.2401 55.8609 41.8424 175.9743 73 G 3.8912 8.1525 118.5569 45.4489 0.0000 173.5228 74 R 4.6219 7.3734 116.9239 53.6215 34.7826 175.0796 75 P 4.5433 0.0000 0.0000 64.9737 31.5303 178.3569 76 A 3.8704 8.0451 119.3218 54.8072 18.4158 177.4503 77 Y 4.8482 8.1902 112.4496 58.0064 38.2806 177.3589 78 N 4.3669 8.3977 120.9493 56.2343 38.9210 176.2792 79 K 4.7945 8.1713 115.4651 56.6109 33.4180 175.9753 80 T 5.3096 8.2828 117.7379 61.8812 70.6700 173.4566 81 A 5.1330 9.2873 126.4840 50.8286 23.6992 174.2238 82 E 5.1991 9.6580 118.5830 54.6710 32.7489 176.0361 83 V 5.0026 8.5291 121.6463 59.9236 34.5002 174.9165 84 S 4.8174 8.9815 117.2724 56.7136 66.5209 172.8477 85 I 4.9131 8.1143 122.3027 59.7982 40.3996 174.1831 86 Y 4.3084 8.0028 124.0099 55.9097 41.3122 174.7605 87 I 4.9706 7.9920 122.6337 59.1314 40.9578 174.9774 88 D 4.5562 9.1986 127.4814 54.8553 41.9250 177.8195 89 E 3.9469 8.9203 118.6627 58.9063 29.8336 179.0085 90 A 4.3994 7.9116 118.7661 53.0876 18.8033 177.1138 91 C 4.6452 7.8242 114.0292 59.5861 29.8144 175.3495 92 R 3.9578 7.7766 118.3341 59.9025 28.4366 180.8801 93 G 3.7658 8.2025 118.8531 44.4945 0.0000 173.5794 94 K 4.2479 8.0695 114.2645 54.1775 34.2426 178.6147 95 G 3.9642 8.3956 106.8545 47.2247 0.0000 176.6346 96 V 3.6966 7.5500 119.7756 65.7753 31.4174 178.0469 97 G 3.6653 8.1174 105.0343 48.1417 0.0000 175.2623 98 S 3.9507 7.9620 115.3205 60.9284 62.4017 175.3868 99 Y 4.0696 7.9527 122.0307 60.7364 38.5003 178.0465 100 L 3.6667 8.3305 120.3041 57.6541 41.6837 179.3434 101 L 3.6868 7.8829 120.4612 57.8285 42.0046 178.7332 102 Q 3.8655 7.9132 119.6790 59.2257 28.9761 178.2223 103 E 3.7934 8.0128 119.4655 59.1117 29.3260 179.0844 104 A 4.1695 8.1480 121.1841 55.3675 18.2460 179.7611 105 L 4.0420 7.9315 116.3036 57.5934 41.6886 179.4295 106 R 4.0458 7.5646 118.1355 59.3535 30.3338 178.2864 107 I 3.7903 8.0310 119.5210 63.9544 37.0326 177.8658 108 A 3.7476 8.2016 122.1045 55.1371 18.2014 177.9475 109 P 4.1875 0.0000 0.0000 65.8350 31.1931 178.4750 110 N 4.4869 8.0708 114.0101 55.1752 38.4777 176.2710 111 L 4.4764 7.6807 118.9398 53.8808 42.0004 177.0255 112 G 3.8733 7.8107 106.9866 45.9384 0.0000 173.4375 113 I 4.3753 7.5785 119.9685 60.2376 38.3791 175.3000 114 R 4.5093 9.2900 125.4739 56.8820 32.6239 175.8012 115 S 5.2969 8.1129 114.7265 56.5709 66.2384 173.3268 116 L 5.8372 9.0787 125.6345 52.0449 46.1901 174.4821 *118 A 4.5243 8.2356 121.0562 51.7679 20.0320 175.5159 119 F 4.9822 9.0286 120.9805 56.0240 40.5592 175.3972 120 I 4.5208 8.5144 125.0647 58.8448 40.7552 175.3420 121 F 4.8637 8.7636 124.9761 57.8362 39.1891 176.3364 122 G 3.7354 8.6512 111.4209 48.6058 0.0000 173.5840 123 H 4.8913 7.4255 116.6128 54.7676 28.9415 176.5741 124 N 4.9897 7.4324 116.6549 51.8138 39.6776 174.0023 125 K 3.9442 8.1451 122.2260 58.9369 32.6662 176.8517 126 P 4.2302 0.0000 0.0000 65.8099 31.2881 178.8410 127 S 4.1431 8.1914 113.5471 61.4321 62.7284 176.5252 128 L 4.0134 8.0676 124.1734 58.4578 41.4001 180.4236 129 K 3.9868 8.3325 123.6953 59.6150 31.4167 180.3963 130 L 4.0789 7.5890 120.6170 58.2853 42.2890 178.9512 131 F 3.9104 8.3957 117.4561 60.4662 38.2967 177.5894 132 E 4.4562 8.4718 119.6540 58.8104 29.0013 179.4393 133 K 4.1554 8.0646 117.5767 58.4749 32.0967 177.8019 134 H 4.9407 8.0683 115.9345 55.4250 30.0421 175.8565 135 G 3.9352 7.7768 107.3018 45.6513 0.0000 174.5948 136 F 4.3898 8.1146 118.1471 56.7294 40.2153 174.2491 137 A 4.8080 8.4687 124.7397 49.7253 22.9482 174.9312 138 E 4.3928 8.8788 120.9124 56.3990 29.5936 176.4808 139 W 4.8932 9.0804 127.0752 57.3133 31.0217 176.1162 140 G 4.0582 7.6175 104.6135 45.5951 0.0000 172.5148 141 L 4.8317 8.4282 122.2373 53.6537 45.0602 175.5352 142 F 5.1663 9.0125 127.4233 55.0568 40.0453 173.3706 143 P 4.6267 0.0000 0.0000 63.2784 31.6090 176.6257 144 G 4.0561 9.4476 115.6383 46.2157 0.0000 173.6592 145 I 3.9778 7.9721 111.4591 61.2648 38.6675 175.2315 146 A 4.7830 7.8797 124.9884 50.3423 20.8571 175.0747 147 E 5.5566 8.2199 120.6504 53.4309 33.6286 174.6671 *149 D 4.3646 8.2804 118.2902 54.3395 42.0274 177.4097 150 G 3.8476 8.4769 104.0989 45.8021 0.0000 173.6270 151 K 4.4345 7.5684 118.7158 54.2580 34.3256 175.5745 152 R 4.8248 8.0249 122.1639 55.0022 32.1753 175.2191 153 Y 4.7018 8.9479 118.5461 56.2024 42.1331 174.8804 154 D 5.1306 8.6546 121.7742 53.9727 43.1192 175.0324 155 L 4.9438 8.7125 122.8864 53.3831 44.7264 174.9199 156 K 4.6789 9.2893 128.5424 54.8712 34.6708 174.8478 157 I 4.3292 8.1824 127.8981 59.4156 39.2412 174.4393 158 L 4.8613 8.4972 127.8403 52.8327 43.7292 176.3194 159 G 2.0754 8.0395 109.1996 43.6334 0.0000 171.4370 160 R 4.5623 7.8979 121.1426 54.1344 33.6177 173.1281 161 E 4.9883 8.7390 126.9945 54.4610 31.4193 175.0667 162 L 4.2650 8.9700 128.2429 53.8531 41.8410 177.0457 163 S 4.1345 8.7139 119.0824 58.6387 62.9842 173.9610 164 E 4.2202 8.6507 124.6552 56.6712 29.3785 176.2792 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 0 S 8.19 4.39 0.00 3.85 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 1 L 8.25 4.98 0.00 1.66 1.69 1.04 0.56 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 2 T 9.71 4.69 4.29 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 1.26 0.00 0.00 3 L 8.68 5.26 0.00 1.54 1.60 0.77 1.04 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 4 R 8.82 4.85 0.00 1.95 2.07 0.00 2.83 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 5 L 8.62 4.30 0.00 1.55 1.54 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.80 4.49 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 7 E 9.50 4.90 0.00 2.00 1.86 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 2.25 2.46 0.00 8 H 9.20 3.40 0.00 3.23 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.90 4.11 0.00 1.99 2.03 0.00 3.08 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 10 D 8.16 4.52 0.00 2.87 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 11 L 7.39 3.62 0.00 1.15 1.34 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.98 3.87 0.00 2.01 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 2.34 2.31 0.00 13 A 7.89 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.94 3.45 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 0.11 0.00 0.00 0.71 0.00 0.00 15 V 8.02 3.56 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 1.08 0.00 0.00 0.87 0.00 0.00 16 A 8.28 4.04 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.26 3.96 2.48 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.03 1.12 0.00 0.00 18 Y 8.11 4.13 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.63 4.20 0.00 2.78 2.85 0.00 0.00 6.87 7.66 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 20 S 8.31 4.14 0.00 4.06 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 0.00 21 T 7.54 3.88 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 1.04 0.00 0.00 22 I 7.22 3.63 1.70 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 1.14 0.35 0.38 0.00 0.00 23 A 7.60 4.29 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 24 S 7.52 4.09 0.00 3.75 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 *32 E 7.60 4.27 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 33 P 0.00 4.21 0.00 2.08 1.88 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 34 V 7.99 4.34 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 0.87 0.00 0.00 1.08 0.00 0.00 35 T 7.99 4.63 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 1.21 0.00 0.00 36 P 0.00 4.17 0.00 2.13 2.05 0.00 3.56 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 2.07 2.04 0.00 37 E 8.31 3.93 0.00 1.99 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 2.23 1.87 0.00 38 D 7.98 4.89 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.46 4.51 0.00 1.70 1.73 0.00 3.00 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.68 0.00 *41 E 8.26 4.30 0.00 2.12 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 0.00 2.33 2.27 0.00 42 W 8.48 4.13 0.00 3.18 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 3.67 0.00 3.06 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 44 S 8.09 4.14 0.00 3.87 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 45 G 7.48 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 6.70 4.29 0.00 2.58 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.19 4.63 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 48 E 8.75 3.89 0.00 1.94 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 2.26 2.24 0.00 49 S 7.29 4.51 0.00 4.02 3.96 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 0.00 0.00 0.00 50 R 7.61 4.77 0.00 1.73 2.10 0.00 3.43 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 51 P 0.00 4.83 0.00 1.36 2.00 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.87 0.00 52 L 7.74 4.97 0.00 0.74 0.95 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 9.52 5.30 0.00 3.08 2.90 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 54 V 9.02 5.23 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 0.91 0.00 0.00 1.04 0.00 0.00 55 A 9.21 5.38 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 56 E 9.21 5.10 0.00 1.96 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 2.30 2.30 0.00 57 D 9.15 5.11 0.00 2.86 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 58 E 8.76 4.00 0.00 2.01 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 2.23 1.91 0.00 59 N 8.54 4.55 0.00 2.78 2.90 0.00 0.00 7.17 8.25 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 60 G 8.24 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 61 N 8.03 4.80 0.00 3.20 2.76 0.00 0.00 6.68 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 62 V 8.41 4.15 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 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4.74 0.00 3.11 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 72 Y 7.73 4.66 0.00 1.79 2.35 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 73 G 8.15 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 74 R 7.37 4.62 0.00 2.23 1.91 0.00 3.33 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.64 0.00 75 P 0.00 4.54 0.00 2.17 2.14 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 76 A 8.05 3.87 0.98 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 77 Y 8.19 4.85 0.00 3.60 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 78 N 8.40 4.37 0.00 2.86 2.93 0.00 0.00 6.97 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.17 4.79 0.00 1.78 1.88 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.50 7.81 80 T 8.28 5.31 4.67 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 1.31 0.00 0.00 81 A 9.29 5.13 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 82 E 9.66 5.20 0.00 1.98 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 2.61 2.62 0.00 83 V 8.53 5.00 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 0.92 0.00 0.00 0.65 0.00 0.00 84 S 8.98 4.82 0.00 4.17 4.11 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 85 I 8.11 4.91 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.74 0.00 0.00 86 Y 8.00 4.31 0.00 1.43 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.99 4.97 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.90 0.00 0.00 88 D 9.20 4.56 0.00 2.93 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.92 3.95 0.00 2.03 1.86 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 2.23 1.88 0.00 90 A 7.91 4.40 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 91 C 7.82 4.65 0.00 2.98 2.93 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 92 R 7.78 3.96 0.00 1.83 1.78 0.00 3.25 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 93 G 8.20 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 0.00 0.00 0.00 94 K 8.07 4.25 0.00 1.63 1.70 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 0.94 7.81 95 G 8.40 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.55 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0.00 1.58 1.90 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.40 3.91 0.00 2.96 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 0.00 132 E 8.47 4.46 0.00 2.26 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 2.38 2.38 0.00 133 K 8.06 4.16 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.68 7.81 134 H 8.07 4.94 0.00 3.28 3.42 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.78 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 0.00 136 F 8.11 4.39 0.00 3.25 2.92 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 0.00 137 A 8.47 4.81 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 0.00 138 E 8.88 4.39 0.00 2.00 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 0.00 2.29 2.29 0.00 139 W 9.08 4.89 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.62 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 0.00 141 L 8.43 4.83 0.00 1.74 1.54 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 142 F 9.01 5.17 0.00 3.00 2.89 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 0.00 143 P 0.00 4.63 0.00 2.09 2.12 0.00 4.05 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 2.03 2.03 0.00 144 G 9.45 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 0.00 145 I 7.97 3.98 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.78 1.05 0.00 0.00 146 A 7.88 4.78 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 0.00 147 E 8.22 5.56 0.00 1.91 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 2.21 2.28 0.00 *149 D 8.28 4.36 0.00 2.84 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 0.00 150 G 8.48 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 0.00 0.00 0.00 151 K 7.57 4.43 0.00 1.97 1.28 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.50 1.51 7.81 152 R 8.02 4.82 0.00 1.65 1.76 0.00 3.12 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 153 Y 8.95 4.70 0.00 2.41 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 0.00 0.00 0.00 0.00 154 D 8.65 5.13 0.00 2.67 2.59 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 0.00 155 L 8.71 4.94 0.00 1.93 1.65 1.25 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 0.00 156 K 9.29 4.68 0.00 1.74 1.66 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.43 7.81 157 I 8.18 4.33 1.50 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.36 0.47 0.00 0.00 158 L 8.50 4.86 0.00 1.12 1.47 0.58 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.04 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 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.90 4.56 0.00 0.67 0.66 0.00 2.93 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.27 0.00 161 E 8.74 4.99 0.00 2.17 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 2.24 2.51 0.00 162 L 8.97 4.27 0.00 1.52 1.63 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.71 4.13 0.00 3.83 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 0.00 164 E 8.65 4.22 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.