NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.3273 8.2993 120.0046 56.9965 34.2199 176.4433 13 S 4.3646 8.0316 113.2281 59.3646 63.4610 172.7106 14 I 3.6385 8.5508 126.3052 65.0845 37.2575 178.8033 15 D 4.5069 8.0828 118.9087 57.3791 40.8495 178.2277 16 E 3.8896 8.0540 119.2651 59.4963 29.7879 178.7894 17 Q 3.8833 8.0192 118.3252 58.7892 28.6678 178.7480 18 S 4.4491 8.2519 116.7565 60.3990 63.1885 176.3060 19 L 3.1015 7.8933 124.1016 58.1378 41.7379 178.7056 20 H 4.2050 8.1054 115.6752 58.8329 28.4897 177.6205 21 N 4.3988 8.0824 118.0835 56.1082 38.0049 177.3194 22 A 4.0784 8.2413 122.4639 55.2099 18.4688 179.9651 23 R 4.0569 8.0858 116.5864 59.5906 30.1418 179.1725 24 R 3.9913 8.3042 118.5752 59.2549 29.9849 177.9432 25 L 3.3862 8.3131 120.4009 58.3204 41.9533 179.1780 26 F 3.9898 7.9376 117.1556 60.1669 38.8144 177.7795 27 E 4.2765 8.5215 115.6509 58.6198 29.7890 177.9581 28 S 4.2559 8.3292 113.4782 58.7866 63.6980 175.4682 29 G 3.9646 8.2156 109.7887 45.4132 0.0000 174.9710 30 D 4.2806 7.8464 119.9808 57.2627 41.1988 178.6225 31 I 3.2019 7.5375 119.2241 64.0531 37.7683 177.0289 32 D 4.4941 8.0231 117.7828 55.8134 40.6336 176.8734 33 R 4.4125 7.7218 117.3933 55.9565 31.0771 176.5160 34 I 4.0603 7.1842 120.4058 60.3807 37.9945 175.4884 35 E 3.9916 9.1671 126.8063 56.1537 29.9928 175.7134 36 V 4.0531 8.3903 126.0625 62.8934 32.5498 176.4171 37 G 3.7074 8.5196 113.7146 46.5684 0.0000 173.4285 38 T 4.9146 7.3404 110.1447 59.8668 72.4991 175.6758 39 T 3.8099 9.0654 118.4978 66.9501 68.5170 176.9299 40 A 4.2342 8.2746 122.2003 55.1358 18.3078 179.8204 41 G 4.0856 8.2161 105.7907 47.2858 0.0000 175.6506 42 L 4.2223 8.2522 122.9074 58.3396 42.0662 179.2310 43 Q 4.3177 8.5048 117.8446 58.9710 28.6390 178.6780 44 Q 4.0947 8.2304 119.1667 59.0562 28.7371 178.8172 45 I 3.7116 7.8546 120.6700 64.8309 37.1870 177.9462 46 H 4.0827 8.3771 118.8628 59.3487 29.6305 177.2806 47 R 3.9106 8.2135 120.5037 59.3745 29.6346 177.9623 48 Y 3.7741 7.8593 118.7975 60.6537 39.1837 177.4821 49 L 3.9521 8.2674 120.3040 56.5976 41.6075 178.2908 50 F 4.7754 7.9732 114.5282 56.2068 40.6087 175.1836 51 G 3.7816 7.7855 110.8778 47.2865 0.0000 174.3603 52 G 3.9294 8.9522 111.9787 45.5553 0.0000 173.3226 53 L 4.4330 8.1680 118.2470 55.7518 43.8748 176.3775 54 Y 4.7622 7.2196 115.5199 55.8994 39.7310 175.8902 55 D 4.4163 9.0062 125.2630 57.7216 41.1770 177.9547 56 F 4.8472 7.6897 111.2917 56.4848 38.1318 174.8104 57 A 4.1128 7.3746 124.3556 54.3032 18.2812 179.1222 58 G 4.0793 9.2076 110.2839 45.7063 0.0000 173.2555 59 Q 4.6609 8.5538 119.2573 54.0864 30.1788 175.7012 60 I 3.8705 8.2955 123.7642 60.9168 37.6735 176.4349 61 R 4.0359 8.6059 122.7671 56.4391 29.7956 176.3329 62 E 4.5243 8.5470 117.3369 56.1406 30.4213 175.3993 63 D 4.9597 7.6261 118.0390 52.4593 43.8390 174.9804 64 N 5.0109 8.2713 118.1006 52.2722 40.5295 174.7078 65 I 4.8883 8.0622 114.0613 59.4489 41.3690 173.8390 66 S 5.0633 8.6572 117.2929 56.6718 66.5717 173.2338 67 K 4.6429 8.4233 119.4016 55.6974 36.4820 176.7988 68 G 3.7224 8.5271 111.2600 47.3581 0.0000 174.3214 69 G 3.9170 8.7653 114.2921 45.0459 0.0000 172.0627 70 F 4.4740 8.2433 123.1709 55.7634 41.0096 174.2834 71 R 4.1005 7.0863 128.0333 54.4067 30.4088 175.7726 72 F 4.6373 7.7334 123.9894 56.7686 39.9771 175.0471 73 A 3.9564 8.6766 122.1545 52.6569 18.6040 177.3764 74 N 4.0639 8.1910 120.6436 52.5026 39.4454 176.2136 75 A 3.9489 8.2647 132.7404 52.0073 18.1395 177.8487 *77 Y 5.4129 7.8080 114.5745 57.8116 39.9919 176.9436 78 L 3.9774 7.4810 124.7436 58.6508 41.9113 178.9583 79 K 3.9959 7.9542 118.1778 59.3453 31.5844 178.9765 80 E 3.9642 8.2252 118.2147 59.2334 29.3805 178.8772 81 A 4.0598 8.2218 120.8085 55.4945 18.5049 179.7935 82 L 3.9288 8.0397 117.2196 57.7065 41.3615 179.9300 83 V 3.6252 7.3913 117.4630 66.0034 31.5475 178.0091 84 K 4.1709 7.8063 117.4895 59.3703 31.6804 179.4177 85 I 3.8085 7.9229 119.7367 64.4202 37.2144 178.1718 86 E 4.3459 8.1838 116.3580 58.3933 30.7811 177.7731 87 Q 4.2387 7.4417 120.9052 54.4764 26.9307 173.1791 *89 P 4.3119 0.0000 0.0000 62.9255 33.0347 176.5950 90 E 4.7706 8.1940 115.8867 56.3891 30.9551 178.4266 91 R 4.0919 8.4071 121.0684 58.4976 30.6202 177.8245 92 T 4.7756 7.5627 112.6548 60.5145 73.5127 174.1763 93 F 4.1189 8.9603 125.3883 61.9411 39.1798 177.6598 94 E 3.8452 8.2827 117.1712 59.5116 29.3981 178.9736 95 E 3.9643 8.1617 118.0244 59.4722 29.5128 179.4482 96 I 3.7144 7.9773 119.9446 64.4692 37.1232 178.5553 97 I 3.7227 7.8129 120.8228 64.2959 36.8685 178.2823 98 A 3.9973 8.2360 121.8505 55.0784 17.9523 179.6609 99 K 4.0246 8.0410 117.2032 59.7593 32.4040 178.0477 100 Y 4.7751 8.2609 118.9559 60.9140 39.0495 177.9883 101 V 3.5979 8.1689 119.2470 65.8370 31.7003 178.9859 102 E 4.3072 8.0502 117.8430 56.4803 29.0940 178.5616 *104 N 4.5674 8.1980 119.3362 53.7003 40.9438 176.2382 105 I 4.0968 7.9265 118.5940 64.4329 37.5749 178.2808 106 A 3.7874 8.2565 122.5601 55.1263 18.7645 177.1214 107 H 3.7357 7.3068 112.5763 56.6512 28.3444 173.0750 108 P 4.0474 0.0000 0.0000 64.2260 31.9449 176.6561 109 F 5.1324 7.4621 117.4168 55.2224 41.5379 175.6224 110 L 3.8232 8.0479 122.5218 57.4772 41.4253 177.3280 111 E 4.4975 7.4974 114.7090 55.8936 33.6464 174.8571 112 G 3.7923 8.7449 106.2661 47.0077 0.0000 175.7065 113 N 4.5758 8.2784 119.0232 56.0144 38.5052 177.2572 114 G 3.8485 7.9635 107.8782 47.4056 0.0000 175.7810 115 R 3.8828 7.9542 120.6087 58.7723 30.3196 179.1163 116 S 4.2860 8.1019 113.7846 61.9916 63.0103 176.7092 117 T 4.2762 8.5152 119.5757 66.1587 68.2141 177.1044 118 R 4.1383 8.2688 120.3969 59.3081 29.9837 179.1109 119 I 3.9169 7.6975 118.8596 64.1051 37.1241 178.2048 120 W 4.1837 8.3582 129.1593 60.3103 30.4816 177.6679 121 L 3.8796 8.7915 120.6517 58.4823 41.5092 178.6681 122 D 4.4373 8.3239 118.6879 57.4623 40.7287 178.9329 123 L 3.9324 7.9878 119.5105 57.5886 41.5658 179.7733 124 V 3.3546 7.3076 117.6958 65.9664 31.4494 178.0105 125 L 3.9743 8.1144 119.1387 57.6641 41.4893 179.6234 126 K 4.0728 8.2042 120.9920 58.7379 31.9847 178.7690 127 K 3.8447 7.8832 118.6330 59.4897 32.2093 177.7152 128 N 4.6731 7.9210 114.4019 54.1319 39.8821 176.3617 129 L 4.6086 8.1385 118.0634 52.8700 43.4530 176.6552 130 K 4.4624 8.1696 117.7533 57.2314 29.8877 174.6335 131 K 5.0166 7.3745 113.5078 55.1356 37.2443 175.9857 132 V 4.4597 8.3091 113.6384 59.5912 36.7341 174.8123 133 V 3.6218 8.3671 122.7573 62.5838 31.8884 176.7221 134 N 4.5677 9.1290 128.2957 51.8102 37.3012 175.1163 135 W 4.4029 8.1171 123.1252 59.0674 29.8125 178.5724 136 Q 4.0317 8.2782 115.3145 58.5258 27.9809 176.6969 137 N 4.6916 8.1871 114.0181 52.8363 39.0395 174.6723 138 V 4.2748 7.9036 120.1932 61.0187 31.8716 176.2660 139 S 4.4937 8.6815 123.5933 58.1312 64.5718 174.4468 140 K 3.9777 9.2266 126.2648 60.3366 31.9752 178.9268 141 T 3.9001 8.0508 115.0960 66.8228 68.3704 176.4812 142 L 4.0664 8.0763 120.7845 57.7435 41.4530 178.8308 143 Y 4.0559 8.2004 118.8846 60.7603 38.8058 177.9308 144 L 3.8535 7.9471 118.7242 57.6647 42.0130 179.1216 145 Q 4.1327 8.0444 117.7156 58.9300 28.5475 179.6636 146 A 4.0682 7.8177 118.3591 53.2613 18.2379 178.8156 *148 E 4.0447 8.0578 121.1065 57.7413 31.5483 178.2252 149 R 3.9422 7.9427 118.3605 58.8924 28.6285 178.4707 150 S 4.1718 7.6339 114.6084 61.1019 62.4894 174.7958 151 P 4.3622 0.0000 0.0000 64.8330 31.0004 178.0488 152 V 4.0778 7.5948 116.2529 63.7768 31.8887 175.9178 153 N 4.5842 7.0645 116.9519 51.8339 41.3480 173.7174 154 D 4.7031 8.7309 125.4737 53.5883 39.6149 177.3233 155 L 3.9543 8.4742 124.0136 58.9856 42.0300 178.8016 156 E 3.9919 8.1941 117.5876 59.4644 29.3685 179.1221 157 L 4.0913 7.9073 119.6573 58.2666 42.2905 178.9796 158 R 4.1786 8.6298 118.5037 59.2106 30.1149 178.4758 159 F 4.1115 8.7499 120.8931 61.5112 39.1220 177.0392 160 L 4.0466 8.0806 118.2097 58.3106 42.2127 178.6338 161 L 4.1352 8.4193 119.2032 57.4544 41.4036 179.2455 162 K 3.3604 8.1416 118.9181 59.3777 32.1590 178.3198 163 D 4.3980 7.6616 117.5382 56.2558 40.7723 176.4623 164 N 5.0440 8.0403 117.0617 52.7780 40.5964 174.4752 165 L 4.6708 7.9011 117.8194 54.7809 43.1087 176.2581 166 T 4.6682 8.6289 115.1993 60.4189 71.0476 173.7687 167 D 4.7758 8.6248 125.0605 52.7052 40.3776 177.0588 168 D 4.6148 7.7543 122.6383 53.5368 39.4298 177.2853 169 V 3.7993 7.5368 113.2760 63.0107 32.4458 177.1164 170 D 4.8783 7.7789 117.5195 53.4699 41.7924 175.7093 171 N 4.4569 7.9550 120.2262 53.1787 39.8821 175.5877 172 R 3.9577 8.7600 125.2915 59.6944 29.3762 178.5522 173 E 3.9745 8.2400 119.3684 58.9520 29.8996 178.6399 174 I 3.6663 7.9155 119.8094 64.3587 37.0777 178.3942 175 I 3.2636 7.7073 120.6918 64.4228 36.8796 178.6422 176 F 4.1520 8.0262 118.7024 60.4517 38.7895 178.1833 177 K 4.1765 8.4651 118.3983 59.0339 31.6965 179.8111 178 G 3.6244 7.9446 105.8874 47.8272 0.0000 175.7511 179 I 3.6679 7.7748 122.9451 64.1709 36.9109 178.2725 180 E 3.9672 7.9060 117.9395 59.4759 29.6024 179.0697 181 Q 3.9781 7.9536 119.4948 59.0437 28.6365 177.7440 182 S 3.3354 7.9596 114.5778 61.7439 62.0510 176.0026 183 Y 3.8755 8.1684 118.7877 60.7703 37.5720 177.5859 184 Y 4.3966 7.8394 120.4319 60.7205 38.6320 177.1555 185 Y 4.4418 7.3597 116.3481 60.0743 38.0986 176.8901 186 E 4.7507 7.4377 118.7155 55.3855 30.5793 176.3505 187 G 3.8259 8.1069 114.0309 46.4443 0.0000 174.0963 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 12 K 8.30 4.33 0.00 1.94 2.04 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 13 S 8.03 4.36 0.00 4.30 4.13 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 14 I 8.55 3.64 1.90 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 1.61 0.57 0.74 0.00 0.00 15 D 8.08 4.51 0.00 3.02 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 16 E 8.05 3.89 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 2.39 0.00 17 Q 8.02 3.88 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 18 S 8.25 4.45 0.00 3.88 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 0.00 19 L 7.89 3.10 0.00 1.51 1.79 0.21 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.11 4.21 0.00 3.39 3.30 0.00 5.87 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 21 N 8.08 4.40 0.00 2.91 3.02 0.00 0.00 6.84 6.97 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 22 A 8.24 4.08 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 23 R 8.09 4.06 0.00 2.05 2.12 0.00 3.05 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 24 R 8.30 3.99 0.00 2.08 2.27 0.00 3.14 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 25 L 8.31 3.39 0.00 1.91 1.42 0.60 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.94 3.99 0.00 3.03 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 27 E 8.52 4.28 0.00 2.24 2.38 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 2.41 2.31 0.00 28 S 8.33 4.26 0.00 4.05 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 29 G 8.22 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 30 D 7.85 4.28 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 31 I 7.54 3.20 0.94 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.87 0.58 0.00 0.00 32 D 8.02 4.49 0.00 2.79 2.66 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 33 R 7.72 4.41 0.00 1.88 1.94 0.00 3.20 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 34 I 7.18 4.06 1.89 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 1.27 0.55 0.94 0.00 0.00 35 E 9.17 3.99 0.00 2.05 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 2.36 2.28 0.00 36 V 8.39 4.05 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 0.75 0.00 0.00 0.93 0.00 0.00 37 G 8.52 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.34 4.91 4.52 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 1.37 0.00 0.00 39 T 9.07 3.81 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 1.19 0.00 0.00 40 A 8.27 4.23 1.45 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 0.00 0.00 41 G 8.22 4.09 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 0.00 0.00 0.00 42 L 8.25 4.22 0.00 1.47 1.90 1.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.50 4.32 0.00 2.49 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.77 2.74 0.00 44 Q 8.23 4.09 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 45 I 7.85 3.71 2.17 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.04 0.00 0.00 46 H 8.38 4.08 0.00 2.81 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.21 3.91 0.00 2.07 2.24 0.00 3.20 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 48 Y 7.86 3.77 0.00 3.17 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 49 L 8.27 3.95 0.00 0.36 0.52 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.97 4.78 0.00 2.90 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.79 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 52 G 8.95 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 53 L 8.17 4.43 0.00 1.42 1.43 0.92 0.69 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 54 Y 7.22 4.76 0.00 2.33 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 55 D 9.01 4.42 0.00 2.88 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 56 F 7.69 4.85 0.00 3.31 3.25 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 57 A 7.37 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.21 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 0.00 0.00 0.00 59 Q 8.55 4.66 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 60 I 8.30 3.87 1.83 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 1.47 0.68 0.79 0.00 0.00 61 R 8.61 4.04 0.00 1.70 1.75 0.00 3.08 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 62 E 8.55 4.52 0.00 1.89 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 2.17 2.20 0.00 63 D 7.63 4.96 0.00 2.50 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 64 N 8.27 5.01 0.00 2.52 2.64 0.00 0.00 6.70 7.45 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 65 I 8.06 4.89 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.84 0.00 0.00 66 S 8.66 5.06 0.00 3.74 3.68 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 67 K 8.42 4.64 0.00 1.90 1.77 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.76 1.73 7.81 68 G 8.53 3.72 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 0.00 0.00 0.00 69 G 8.77 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 70 F 8.24 4.47 0.00 2.81 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 71 R 7.09 4.10 0.00 1.38 1.37 0.00 3.45 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 72 F 7.73 4.64 0.00 2.99 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 73 A 8.68 3.96 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 74 N 8.19 4.06 0.00 2.22 1.42 0.00 0.00 7.05 7.96 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 75 A 8.26 3.95 1.22 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 0.00 0.00 0.00 *77 Y 7.81 5.41 0.00 3.15 3.21 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 0.00 78 L 7.48 3.98 0.00 1.79 1.74 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.95 4.00 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 80 E 8.23 3.96 0.00 2.27 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 2.43 2.46 0.00 81 A 8.22 4.06 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 82 L 8.04 3.93 0.00 1.84 1.70 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.39 3.63 2.27 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 0.85 0.00 0.00 0.98 0.00 0.00 84 K 7.81 4.17 0.00 1.99 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.63 7.81 85 I 7.92 3.81 1.89 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 1.61 0.63 0.96 0.00 0.00 86 E 8.18 4.35 0.00 2.28 2.21 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 2.68 2.42 0.00 87 Q 7.44 4.24 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 *89 P 0.00 4.31 0.00 2.46 2.11 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 90 E 8.19 4.77 0.00 1.96 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 2.29 0.00 91 R 8.41 4.09 0.00 2.02 2.00 0.00 3.11 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 92 T 7.56 4.78 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 1.34 0.00 0.00 93 F 8.96 4.12 0.00 3.10 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 94 E 8.28 3.85 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0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 137 N 8.19 4.69 0.00 2.84 2.93 0.00 0.00 6.85 7.12 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 0.00 138 V 7.90 4.27 2.63 0.00 0.00 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 0.97 0.00 0.00 139 S 8.68 4.49 0.00 4.24 4.12 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 0.00 140 K 9.23 3.98 0.00 2.13 2.02 0.00 0.61 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.65 7.81 141 T 8.05 3.90 4.32 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 1.25 0.00 0.00 142 L 8.08 4.07 0.00 1.83 1.82 1.03 0.87 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 0.00 143 Y 8.20 4.06 0.00 2.85 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 0.00 144 L 7.95 3.85 0.00 1.59 1.66 0.98 0.86 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 0.00 145 Q 8.04 4.13 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 146 A 7.82 4.07 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 *148 E 8.06 4.04 0.00 2.06 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 2.16 2.31 0.00 149 R 7.94 3.94 0.00 1.86 1.85 0.00 3.09 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 150 S 7.63 4.17 0.00 3.96 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 0.00 151 P 0.00 4.36 0.00 1.61 1.82 0.00 3.47 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.65 0.00 152 V 7.59 4.08 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 0.78 0.00 0.00 0.89 0.00 0.00 153 N 7.06 4.58 0.00 2.79 2.63 0.00 0.00 7.31 8.35 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 0.00 154 D 8.73 4.70 0.00 3.01 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 0.00 155 L 8.47 3.95 0.00 1.88 1.75 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.19 3.99 0.00 2.05 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 2.36 2.34 0.00 157 L 7.91 4.09 0.00 1.80 1.87 1.15 1.18 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 0.00 158 R 8.63 4.18 0.00 2.14 2.27 0.00 3.33 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 159 F 8.75 4.11 0.00 3.23 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 0.00 160 L 8.08 4.05 0.00 1.92 1.95 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.42 4.14 0.00 2.01 1.79 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.14 3.36 0.00 1.35 1.71 0.00 1.20 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.15 0.96 7.81 163 D 7.66 4.40 0.00 2.80 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 0.00 164 N 8.04 5.04 0.00 2.45 2.60 0.00 0.00 6.84 7.18 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 0.00 165 L 7.90 4.67 0.00 1.37 1.47 0.62 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.63 4.67 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 1.20 0.00 0.00 167 D 8.62 4.78 0.00 2.77 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 0.00 168 D 7.75 4.61 0.00 2.69 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 0.00 169 V 7.54 3.80 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 0.77 0.00 0.00 0.92 0.00 0.00 170 D 7.78 4.88 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 N 7.96 4.46 0.00 3.00 2.73 0.00 0.00 6.94 7.58 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 0.00 172 R 8.76 3.96 0.00 2.35 2.32 0.00 3.07 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 173 E 8.24 3.97 0.00 2.12 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 0.00 2.38 2.47 0.00 174 I 7.92 3.67 1.81 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 1.68 0.81 0.90 0.00 0.00 175 I 7.71 3.26 1.19 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 1.04 0.46 -0.64 0.00 0.00 176 F 8.03 4.15 0.00 3.18 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 0.00 177 K 8.47 4.18 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.61 7.81 178 G 7.94 3.62 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 0.00 0.00 0.00 179 I 7.77 3.67 1.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.80 0.00 0.00 180 E 7.91 3.97 0.00 2.09 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 2.31 2.41 0.00 181 Q 7.95 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.65 1.87 0.00 182 S 7.96 3.34 0.00 3.45 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 0.00 183 Y 8.17 3.88 0.00 3.21 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 0.00 184 Y 7.84 4.40 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 0.00 185 Y 7.36 4.44 0.00 3.09 2.96 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 0.00 186 E 7.44 4.75 0.00 2.02 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 2.26 2.33 0.00 187 G 8.11 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.