NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1573 8.1733 120.1178 56.5438 34.5017 177.8647 3 D 4.1923 8.0027 118.5067 56.3265 40.6795 177.0088 4 K 3.8968 8.7287 121.0376 59.3580 32.6084 178.4731 5 I 3.5793 7.5034 119.5942 64.5075 37.1053 178.3524 6 I 3.7122 7.7737 120.5695 64.2308 36.7692 177.9777 7 D 4.2732 8.2554 119.0479 57.5932 41.0688 178.2144 8 N 4.2574 8.2831 116.6624 55.9635 38.4729 177.3883 9 A 3.6308 8.1369 122.5839 54.9064 18.4500 179.5866 10 I 3.6632 7.7963 118.3474 64.8377 37.1661 178.6396 11 T 3.6964 7.3897 116.4047 66.6337 68.2596 176.6397 12 L 3.8255 7.7722 120.6391 57.8226 41.5373 179.6120 13 F 4.5251 8.6773 119.5618 60.1164 38.6299 177.9103 14 S 4.8344 7.8936 114.2056 61.0677 62.7982 176.1422 15 E 4.0133 7.9902 121.3502 58.2167 29.4042 178.3283 16 K 4.4217 8.2998 115.6384 54.6008 33.9588 177.7041 17 G 4.1597 7.9747 104.2309 45.4071 0.0000 173.8746 18 Y 4.0744 8.6303 120.5895 60.5278 38.7579 178.5429 19 D 4.4158 8.2586 117.3736 55.6283 39.7060 176.9393 20 G 3.8544 7.6286 106.6768 45.6338 0.0000 173.2634 21 T 4.5341 7.5900 118.2319 61.9482 70.3768 174.0485 22 T 4.4741 8.1775 116.3579 59.6990 72.7102 175.6437 23 L 3.9667 8.1816 121.1940 57.8707 41.5501 179.2480 24 D 4.4585 7.8904 119.0035 56.7156 40.9591 177.8457 25 D 4.2584 7.7612 118.4913 57.4027 41.0305 178.6021 26 I 3.7309 7.5225 120.3238 64.2791 36.8947 178.6456 27 S 4.0813 8.4847 115.4385 61.5662 62.6800 176.6806 28 K 3.9405 8.2703 122.5662 58.9117 31.5209 179.2113 29 S 4.3075 7.6458 113.1379 60.1295 62.9369 175.2817 30 V 4.2869 7.0319 113.8525 60.4105 32.3518 174.8002 31 N 4.2168 7.8352 115.3687 54.5189 36.3189 173.9072 32 I 4.7271 7.5340 108.7598 58.0565 41.1812 175.7139 33 K 4.2565 8.2938 120.3197 55.8572 34.0083 178.5143 34 K 3.9683 8.6139 121.7625 60.2531 32.4048 179.3329 35 A 4.1004 7.9774 121.4399 54.9721 18.3835 179.5767 36 S 3.9638 8.1125 113.3781 61.4588 62.8955 176.4722 37 L 4.1840 8.1810 123.1113 58.3597 41.3298 178.3702 38 Y 4.2855 7.8617 120.6248 60.4727 38.5028 177.5449 39 Y 4.3400 8.0619 116.0427 60.7823 38.3800 177.2175 40 H 4.4046 8.6757 116.4867 57.5791 28.9302 174.6339 41 Y 4.5905 7.3743 114.6577 57.2905 40.4151 175.2025 42 D 4.2956 7.2566 113.8138 52.5742 45.7334 176.0008 43 N 4.7670 7.7337 119.7855 51.9330 39.8214 176.0003 44 K 4.0735 8.6257 120.4739 59.7733 32.1236 178.0686 45 E 4.2757 8.3563 120.4726 58.8369 29.6154 178.2628 46 E 4.0513 8.9295 119.6343 59.2015 29.6480 178.7904 47 I 3.8264 8.0769 120.0889 64.4895 37.0808 177.8077 48 Y 3.9779 8.6626 120.7866 60.5392 38.5900 177.7377 49 R 3.8017 8.4959 120.1003 59.5789 30.2029 178.7165 50 K 4.0452 8.3250 118.2078 59.4425 31.9471 179.6376 51 S 4.1549 8.2376 115.7817 61.5794 62.6684 176.8966 52 V 3.4581 7.8294 121.3321 65.7887 31.1591 177.9519 53 E 4.0518 8.4110 118.6134 59.4327 29.2348 178.7964 54 N 4.3875 8.3947 117.1118 56.6939 39.0234 176.3807 55 C 4.3313 8.4142 120.1592 62.8048 31.7219 175.6148 56 F 4.4720 8.5336 119.5138 60.8477 38.4313 177.4838 57 N 4.5124 8.6991 116.2282 56.3651 38.2256 176.8566 58 Y 3.8640 8.2810 121.3960 60.7600 38.5793 178.1849 59 F 4.3860 8.1799 117.4609 60.2783 39.0937 177.7319 60 I 4.0957 8.0824 119.1613 64.4203 37.0511 177.7358 61 D 4.5147 8.1277 118.5562 56.3646 41.1048 177.1366 62 F 3.8517 7.5260 119.6593 59.2978 39.5745 174.8816 *71 Y 4.1069 8.2400 125.0118 57.6545 39.2401 176.0098 72 S 4.6156 7.9351 115.3029 57.4962 66.0350 173.8272 73 I 3.8160 8.1310 121.6473 64.6821 36.7928 178.3040 74 D 4.5642 8.2774 119.4608 57.4099 40.6917 178.9438 75 G 3.7945 8.2465 106.2835 47.6580 0.0000 175.5747 76 L 3.3166 8.0099 122.6397 57.9724 42.0047 178.5753 77 Y 4.0305 8.0737 116.6819 61.3831 37.7293 178.8508 78 Q 4.2456 8.5295 118.8570 58.6991 28.7546 178.5792 79 F 4.2475 8.4573 121.9835 61.4366 39.4815 177.2770 80 L 4.3055 8.4079 118.7646 57.6652 41.3533 179.1663 81 F 4.2383 9.0101 121.0792 61.4923 39.3671 177.3832 82 K 4.4921 8.7882 119.6436 58.9853 31.5564 179.0375 83 F 4.1308 8.5938 121.0328 61.4007 39.1134 177.3743 84 I 2.5561 7.4754 118.2491 63.5662 36.9265 177.6612 85 F 4.4838 7.7382 115.8588 57.5903 39.5189 176.2545 86 D 4.8084 8.3272 117.3799 53.8629 42.2285 175.7633 87 V 4.0818 6.8102 119.9370 60.9150 32.2986 175.0625 88 D 4.4123 8.9359 127.9294 54.3165 41.6544 177.0286 89 E 3.9001 8.8034 126.1804 59.1751 29.4139 179.5069 90 R 3.7748 8.4843 116.8743 59.3733 29.2907 178.6325 91 Y 3.8338 7.6725 117.1764 60.6670 37.6786 178.1235 92 I 3.4817 7.6542 120.3855 64.1620 37.1272 178.2535 93 K 3.8093 8.2517 120.8728 59.2607 31.7871 178.5618 94 L 4.1130 7.7730 119.7190 58.2642 42.2680 178.0563 95 Y 3.9924 8.3135 119.4860 60.8086 38.4080 178.2249 96 V 3.8265 8.3130 119.4282 66.1465 31.6989 177.4320 97 Q 4.2325 8.4020 116.2931 57.2097 28.5878 177.9248 98 L 4.1587 7.9139 121.3746 57.3510 41.3940 178.8979 99 S 4.3750 7.6982 112.4853 60.0844 62.9393 174.8874 100 S 4.5926 7.6791 117.5729 58.0183 63.0814 174.1434 101 A 3.8056 7.6081 123.7768 51.0951 18.8877 176.5546 102 P 4.0308 0.0000 0.0000 62.6379 32.1084 177.3022 103 E 3.8802 8.9246 122.4214 59.5337 29.2175 179.0186 104 A 4.0539 7.9875 119.0169 54.2429 18.7202 178.2613 105 L 4.4269 7.7477 116.3010 54.5987 41.8650 177.7858 106 N 4.2696 8.1075 119.6920 56.9507 38.9043 176.9197 107 S 4.1190 8.0024 115.2459 61.3805 63.2125 176.0264 108 E 3.9649 8.0867 120.8898 59.1229 29.4206 179.0559 109 I 3.6876 7.9338 120.8366 63.8847 37.1413 178.1343 110 K 3.8485 8.3272 120.8373 59.8740 31.9719 178.4433 111 H 4.1715 8.1514 116.2813 59.2942 28.6409 177.5056 112 H 3.8780 7.8195 117.7749 58.6251 28.1822 177.9173 113 L 4.2138 8.0766 121.0880 57.9927 41.4918 179.5996 114 Q 4.0033 8.2448 118.0532 58.9013 28.5715 178.7289 115 E 3.9958 8.3050 119.5845 59.4119 29.4513 179.3047 116 I 3.8627 7.9731 119.7916 64.7211 37.2502 178.1835 117 N 4.3674 8.5433 117.3985 56.7009 38.2674 177.7004 118 T 3.9061 8.1191 117.0405 66.8276 68.5622 176.8969 119 T 3.9105 8.1399 117.7459 66.6318 68.4899 176.3741 120 L 4.0647 8.2745 122.3683 58.3597 42.1107 178.3282 121 H 4.0203 8.4104 118.1757 59.5543 29.5996 176.8196 122 D 4.3878 8.2148 119.3921 57.5100 41.0063 178.4695 123 E 4.0947 8.3974 118.9773 59.4746 29.5597 179.4606 124 L 4.2837 8.2031 119.1129 57.8353 41.4063 179.5367 125 I 3.8429 7.7429 119.1841 64.3344 37.0390 177.7572 126 K 3.8623 7.5766 118.3489 59.0716 31.9008 177.8528 127 Y 4.3345 7.7561 114.8993 59.6718 38.1718 174.9951 128 Y 3.5907 7.8212 122.1788 57.1381 39.1377 174.1754 129 D 4.2712 7.2881 126.7489 51.7821 42.9462 173.7115 130 P 4.2131 0.0000 0.0000 64.9913 31.5080 177.6774 131 T 3.9829 7.9035 108.7500 63.6788 69.0325 174.6836 132 H 4.9226 8.3819 117.7535 55.2053 30.3116 172.9655 133 I 4.9804 7.3925 119.8056 59.6257 39.9865 174.8253 134 A 4.6540 9.1982 130.5157 52.6778 19.0617 176.7865 135 L 4.9204 7.7479 118.1886 53.4928 45.8439 177.0526 136 D 4.8677 8.2749 122.4336 51.7859 41.8055 177.3138 137 K 2.4800 8.1744 119.5771 59.4205 31.9101 178.3357 138 E 3.8555 7.8657 118.0491 59.4966 29.2195 178.9987 139 D 4.2168 8.3242 118.1820 57.0078 40.8824 178.3513 140 F 4.2065 7.9924 120.4333 61.3400 39.7342 176.8921 141 I 3.4159 7.6563 119.3588 64.1390 36.6604 179.4003 142 N 4.5152 7.7866 115.1003 53.4434 38.5969 176.3707 *144 I 3.9103 7.7775 122.9313 61.4107 39.1597 179.1871 145 L 4.2127 7.4864 119.6056 54.7968 40.9129 179.3442 *147 F 5.3523 8.2847 118.6509 57.9837 41.0394 177.6488 148 L 4.2303 8.2899 120.3449 58.0777 41.3221 179.5610 149 E 3.9549 8.5072 118.6090 59.5029 29.2520 179.5715 150 T 4.0292 8.1162 115.5499 66.4674 68.6870 176.3421 151 W 3.7766 8.5551 130.3056 60.4720 30.5042 177.5760 152 Y 3.7323 8.7418 117.0565 60.8133 36.9203 178.4391 153 F 4.1886 8.4100 121.4540 61.5106 39.5689 177.4599 154 R 3.6756 8.2795 117.7891 59.1412 29.6190 179.0143 155 A 3.2982 6.8054 119.8913 54.5248 18.1699 179.5568 156 S 3.8708 7.2550 111.9415 60.7503 63.2491 175.8258 157 F 4.2708 7.2159 120.6387 58.7046 39.4371 177.5565 158 S 4.1194 8.2135 113.7918 61.6314 61.8486 176.5860 159 Q 3.9074 7.7307 117.4626 58.8182 28.9480 177.0860 160 K 3.6866 7.8823 118.6329 58.2541 30.9192 176.9930 161 F 4.8263 8.1315 115.4505 56.1396 40.7869 176.1679 162 G 3.9833 8.2939 108.3698 46.2260 0.0000 173.7303 163 I 3.9713 7.2291 118.9599 60.4031 37.8280 177.4285 164 I 3.7291 8.5549 125.6316 64.0737 38.0531 177.5489 165 E 4.1563 8.2346 118.3810 58.6686 29.4202 177.0240 166 D 4.9039 8.0528 117.5253 54.0848 41.3540 177.3255 167 S 4.6130 7.9626 116.0221 57.7198 65.1475 175.3052 168 K 3.2331 8.5765 122.5374 59.6904 31.8529 179.2114 169 N 4.4502 8.1702 116.5261 56.3615 38.9641 177.1089 170 R 3.9420 7.6981 118.9490 59.0123 30.0920 178.6367 171 F 4.1544 8.2807 120.4694 61.1845 39.4197 176.8852 172 K 3.3626 8.0388 119.4538 59.6963 31.9129 178.4472 173 D 4.3677 8.0801 118.9075 57.1953 40.8121 178.8136 174 Q 3.9634 8.0308 118.8277 58.7579 28.6179 178.9040 175 V 2.8790 7.4235 119.4340 66.0101 31.4340 177.7642 176 Y 4.3828 8.4020 116.9714 61.1033 37.2615 178.5035 177 S 4.1646 8.3306 114.2099 61.4054 62.3642 176.3291 178 L 4.1571 7.9242 121.2966 57.9262 41.3842 179.4859 179 L 4.2410 8.5179 119.3776 57.7966 41.2425 179.0865 180 N 4.4403 8.3665 116.6409 56.5629 38.9174 176.8623 181 V 3.5692 7.3776 118.5799 65.5416 31.9769 177.3285 182 F 4.7651 8.0102 115.8642 56.5513 39.3251 175.1859 183 L 5.2360 8.0385 119.6963 52.5852 43.5632 176.5619 184 K 4.2337 9.0267 122.6275 56.9431 32.5540 175.8804 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 K 8.17 4.16 0.00 1.88 1.95 0.00 1.73 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.70 7.81 3 D 8.00 4.19 0.00 2.76 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 4 K 8.73 3.90 0.00 1.82 1.72 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 5 I 7.50 3.58 1.85 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.14 0.82 0.00 0.00 6 I 7.77 3.71 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.05 0.94 0.00 0.00 7 D 8.26 4.27 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.28 4.26 0.00 2.78 2.73 0.00 0.00 6.96 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.14 3.63 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 10 I 7.80 3.66 1.81 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 1.41 0.94 0.31 0.00 0.00 11 T 7.39 3.70 4.26 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 1.09 0.00 0.00 12 L 7.77 3.83 0.00 1.31 1.44 0.76 0.84 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 13 F 8.68 4.53 0.00 3.14 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 14 S 7.89 4.83 0.00 3.93 4.03 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 15 E 7.99 4.01 0.00 2.03 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 2.22 2.38 0.00 16 K 8.30 4.42 0.00 1.66 1.87 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.33 7.81 17 G 7.97 4.16 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 0.00 18 Y 8.63 4.07 0.00 2.51 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 19 D 8.26 4.42 0.00 2.83 2.84 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 0.00 0.00 0.00 20 G 7.63 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 21 T 7.59 4.53 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 22 T 8.18 4.47 4.17 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 1.14 0.00 0.00 23 L 8.18 3.97 0.00 1.69 1.77 1.04 0.96 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 24 D 7.89 4.46 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.76 4.26 0.00 2.74 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 26 I 7.52 3.73 1.89 0.00 0.00 0.60 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 1.26 0.80 0.00 0.00 27 S 8.48 4.08 0.00 4.22 4.16 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 28 K 8.27 3.94 0.00 1.87 1.86 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 S 7.65 4.31 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.03 4.29 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 0.68 0.00 0.00 0.93 0.00 0.00 31 N 7.84 4.22 0.00 2.82 2.89 0.00 0.00 6.63 8.79 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 32 I 7.53 4.73 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 1.01 0.00 0.00 33 K 8.29 4.26 0.00 1.81 1.78 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.45 7.81 34 K 8.61 3.97 0.00 1.96 2.06 0.00 1.46 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 A 7.98 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.11 3.96 0.00 4.04 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 37 L 8.18 4.18 0.00 1.82 1.91 0.93 0.72 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 38 Y 7.86 4.29 0.00 2.98 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.06 4.34 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.68 4.40 0.00 2.78 2.65 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.37 4.59 0.00 3.17 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 42 D 7.26 4.30 0.00 2.77 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 0.00 0.00 0.00 0.00 43 N 7.73 4.77 0.00 3.09 2.68 0.00 0.00 5.60 6.85 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 44 K 8.63 4.07 0.00 1.91 1.94 0.00 1.55 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.51 7.81 45 E 8.36 4.28 0.00 2.23 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 0.00 2.43 2.26 0.00 46 E 8.93 4.05 0.00 2.15 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 2.63 2.44 0.00 47 I 8.08 3.83 2.27 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 1.06 0.00 0.00 48 Y 8.66 3.98 0.00 2.84 3.17 0.00 0.00 0.00 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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 0.00 0.00 0.00 82 K 8.79 4.49 0.00 2.22 2.23 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.97 1.79 7.81 83 F 8.59 4.13 0.00 3.20 3.40 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 84 I 7.48 2.56 1.16 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 0.86 0.72 -0.84 0.00 0.00 85 F 7.74 4.48 0.00 2.55 2.84 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 0.00 0.00 0.00 86 D 8.33 4.81 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 6.81 4.08 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 0.73 0.00 0.00 0.05 0.00 0.00 88 D 8.94 4.41 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 3.90 0.00 1.93 1.80 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 6.93 7.15 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 0.00 107 S 8.00 4.12 0.00 4.09 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 0.00 108 E 8.09 3.96 0.00 2.22 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 2.37 2.72 0.00 109 I 7.93 3.69 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 1.00 0.00 0.00 110 K 8.33 3.85 0.00 1.87 1.92 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 111 H 8.15 4.17 0.00 3.38 3.16 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 0.00 112 H 7.82 3.88 0.00 2.32 1.31 0.00 5.62 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 0.00 113 L 8.08 4.21 0.00 1.85 1.79 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.24 4.00 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.90 3.98 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 1.13 0.00 0.00 132 H 8.38 4.92 0.00 3.08 3.27 0.00 5.56 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 I 7.39 4.98 1.63 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.99 0.00 0.00 134 A 9.20 4.65 1.46 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 0.00 0.00 135 L 7.75 4.92 0.00 1.74 1.53 0.72 0.67 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 0.00 136 D 8.27 4.87 0.00 2.91 2.84 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 0.00 0.00 0.00 137 K 8.17 2.48 0.00 1.41 1.61 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.24 1.04 7.81 138 E 7.87 3.86 0.00 1.94 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 2.33 2.29 0.00 139 D 8.32 4.22 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.21 0.00 3.01 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 0.00 141 I 7.66 3.42 1.72 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 1.42 0.52 0.76 0.00 0.00 142 N 7.79 4.52 0.00 2.56 2.71 0.00 0.00 7.09 7.78 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 *144 I 7.78 3.91 1.52 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 0.60 0.09 0.84 0.00 0.00 145 L 7.49 4.21 0.00 1.70 1.58 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *147 F 8.28 5.35 0.00 3.34 3.30 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 0.00 148 L 8.29 4.23 0.00 1.68 1.33 0.80 0.06 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 0.00 149 E 8.51 3.95 0.00 2.08 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 2.22 2.31 0.00 150 T 8.12 4.03 4.84 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 0.00 0.00 1.51 0.00 0.00 151 W 8.56 3.78 0.00 2.66 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.74 3.73 0.00 3.20 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 0.00 153 F 8.41 4.19 0.00 3.20 3.29 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 0.00 154 R 8.28 3.68 0.00 1.41 1.78 0.00 3.45 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 155 A 6.81 3.30 0.01 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 0.00 156 S 7.26 3.87 0.00 3.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 7.22 4.27 0.00 2.95 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.21 4.12 0.00 3.96 3.74 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 0.00 159 Q 7.73 3.91 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 160 K 7.88 3.69 0.00 1.24 1.33 0.00 1.19 0.00 0.00 1.34 0.00 0.00 2.75 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.48 0.21 7.81 161 F 8.13 4.83 0.00 3.27 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 0.00 162 G 8.29 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 0.00 163 I 7.23 3.97 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.97 0.00 0.00 164 I 8.55 3.73 1.91 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 1.45 1.27 0.95 0.00 0.00 165 E 8.23 4.16 0.00 2.02 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 2.35 2.44 0.00 166 D 8.05 4.90 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.96 4.61 0.00 4.15 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 0.00 168 K 8.58 3.23 0.00 1.72 0.90 0.00 1.67 0.00 0.00 1.44 0.00 0.00 2.98 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.90 1.55 7.81 169 N 8.17 4.45 0.00 2.97 2.87 0.00 0.00 7.16 7.65 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 0.00 170 R 7.70 3.94 0.00 2.23 2.04 0.00 3.39 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.07 0.00 171 F 8.28 4.15 0.00 3.30 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 8.04 3.36 0.00 1.72 1.79 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.71 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.16 7.81 173 D 8.08 4.37 0.00 2.77 2.68 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 0.00 0.00 0.00 174 Q 8.03 3.96 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 175 V 7.42 2.88 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 -0.57 0.00 0.00 176 Y 8.40 4.38 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.33 4.16 0.00 4.02 4.03 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 0.00 178 L 7.92 4.16 0.00 2.07 2.11 1.19 0.67 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 0.00 179 L 8.52 4.24 0.00 1.79 1.55 0.42 0.63 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 0.00 180 N 8.37 4.44 0.00 2.85 3.09 0.00 0.00 7.17 7.32 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 0.00 181 V 7.38 3.57 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 0.05 0.00 0.00 0.89 0.00 0.00 182 F 8.01 4.77 0.00 3.29 3.16 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 0.00 183 L 8.04 5.24 0.00 1.94 1.71 1.12 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 184 K 9.03 4.23 0.00 1.82 1.77 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.