NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4286 8.2649 122.4695 51.5354 19.8994 176.6133 3 V 3.7954 8.5100 114.8215 61.3672 32.7186 174.2230 4 D 4.5110 9.6083 125.1840 53.1150 44.0360 174.9852 *6 F 4.8823 8.2584 116.5558 57.7230 40.8259 174.3757 7 I 4.8484 8.5927 120.7326 59.1108 41.6985 173.6753 8 K 4.5973 8.8066 130.4667 54.7783 34.4224 174.5982 9 I 4.2940 8.1762 128.8544 59.1101 39.1135 175.7771 10 G 3.6426 8.5934 118.9625 47.4101 0.0000 173.2086 11 D 4.7772 8.6635 123.6225 53.6279 40.9907 176.0971 12 V 3.6976 7.6336 120.6073 62.7710 31.8066 175.4632 13 K 4.4309 8.6489 127.1518 55.9848 32.8798 176.7850 14 G 4.1853 8.4998 114.1628 44.8692 0.0000 174.4799 15 E 4.8469 8.6967 123.9666 55.9977 31.0765 176.3934 16 S 4.5800 8.2349 115.5806 58.1381 63.3194 174.8094 17 K 4.6723 8.5769 124.4632 55.9959 32.4038 175.9478 18 D 4.4622 7.6616 119.2741 53.9671 41.6918 176.1995 19 K 4.0146 8.8537 127.5897 59.3557 32.2710 177.5648 20 T 4.2656 7.8047 105.7280 62.1600 70.0694 174.5214 21 H 4.4977 8.1003 119.8721 54.6053 29.1874 174.0727 22 A 4.1905 7.9168 121.6100 54.2535 18.5734 178.1158 23 E 4.0296 8.9831 120.1298 56.8771 27.8916 174.5585 24 E 4.6488 7.7764 120.0540 55.4690 32.5750 174.5677 25 I 4.6955 8.3160 121.2681 60.2964 38.9266 175.6750 26 D 4.7125 8.9317 127.3504 54.5290 41.9293 175.1642 27 V 4.5118 8.1799 123.6562 61.5582 32.2878 175.2819 28 L 4.4061 9.1284 128.1667 56.6572 42.7201 176.6259 29 A 4.7348 7.8723 117.6151 51.2463 22.2748 175.1100 30 W 5.7945 8.4312 115.4737 55.7685 31.3151 173.9014 31 S 4.4679 9.5067 114.9307 57.2487 66.1213 172.5607 32 W 5.3371 8.3592 129.4411 57.7700 33.7680 173.7714 33 G 3.5417 7.3037 110.1457 44.9912 0.0000 172.2835 *35 S 4.3978 8.0925 112.7102 58.1922 64.8354 172.4435 36 Q 5.0075 8.3213 121.3694 54.5259 30.9187 175.1482 37 S 4.4308 8.9491 120.6235 59.0493 63.8818 174.8672 38 G 3.8417 8.0457 107.9030 47.2546 0.0000 172.9514 39 S 4.5296 8.4884 114.9054 56.5187 65.7951 173.2896 *41 H 4.5036 8.6475 112.9774 55.9339 30.0486 172.9402 *43 G 3.6571 7.7598 108.6275 46.3119 0.0000 174.3061 44 G 3.7330 9.1502 106.9814 45.5405 0.0000 173.6057 45 G 3.5607 7.4022 105.8985 46.0881 0.0000 174.8328 *47 G 3.6776 7.6235 103.6026 45.0249 0.0000 172.7806 48 A 4.4786 7.7612 120.6795 51.8722 20.0775 177.9060 49 G 4.1821 8.2781 111.6379 44.2069 0.0000 171.3690 50 K 4.8944 8.5001 118.5444 54.9258 36.6460 176.1833 51 V 4.3747 8.3732 120.7828 61.3634 32.6788 174.7098 52 N 4.8802 9.1299 123.0812 51.9720 40.3925 173.6742 53 V 4.2998 8.3181 126.4596 61.4229 32.8917 175.5708 54 Q 4.4426 8.7403 127.2276 55.4552 29.6127 175.8250 55 D 4.7535 8.7183 120.6405 54.7009 41.9937 175.6559 56 L 4.9686 9.1671 123.9141 54.5685 43.7035 175.4179 57 S 5.6102 9.3009 122.5997 57.0687 65.4634 173.1927 58 F 5.5996 9.0268 117.7458 55.8540 41.9234 173.1481 59 T 5.0887 9.2945 117.1469 61.8527 71.0992 173.7067 60 K 5.0074 8.6471 123.4140 55.2720 36.8431 174.9665 61 Y 4.7921 8.2982 118.2418 57.6341 38.7387 176.0023 62 I 4.0761 8.3430 124.4460 62.3454 37.9216 175.3012 63 D 4.6892 8.8602 125.2429 51.3795 41.9652 175.7816 64 K 4.0497 8.7944 118.9843 59.7719 32.4440 178.5255 65 S 4.3376 8.4406 115.7306 60.9071 62.8831 176.2076 66 T 3.8951 7.8529 119.7088 66.5875 68.3569 174.1485 67 P 4.4260 0.0000 0.0000 65.5557 31.4365 178.1732 68 N 4.6492 8.1070 114.2426 55.5791 40.0544 177.0233 69 L 4.3898 8.0298 121.6931 54.6713 37.9975 177.0535 *72 A 4.1705 7.7701 125.2026 52.1537 21.0189 178.9055 73 C 4.6099 8.2133 114.0359 62.2384 31.8024 175.2754 74 S 4.3196 8.1193 114.1765 61.5209 62.6035 175.7960 75 S 4.1492 8.0559 113.2224 59.0970 63.1868 174.8778 76 G 3.8789 8.0867 108.2294 46.0677 0.0000 173.2106 77 K 4.2015 7.5912 119.5395 55.5451 32.8122 176.4017 78 H 5.0066 8.3196 118.9682 54.7280 30.7165 173.9493 79 Y 4.6074 8.8295 117.5392 56.2518 39.7544 175.1292 80 P 4.3729 0.0000 0.0000 65.6240 32.5844 176.1245 81 Q 5.1185 7.9818 118.0676 54.6209 33.0172 173.1407 82 A 5.0456 9.0198 125.6508 49.9430 22.9412 174.8812 83 K 4.6740 9.0526 122.8626 54.4483 35.4337 174.4683 84 L 4.6494 8.6702 130.6602 53.8351 43.6163 174.9569 85 T 4.8323 8.6384 123.7034 61.7168 70.8539 173.6872 86 I 4.4721 8.5021 127.4653 59.3919 39.8282 174.5332 87 R 4.9919 9.0246 127.8146 53.9726 33.0079 175.0678 88 K 4.4106 9.0386 125.2272 56.3672 32.7624 176.7448 89 A 4.0225 8.7301 125.2179 53.4427 18.4539 176.7364 90 G 3.4307 10.0761 108.9822 44.3140 0.0000 172.2222 91 G 3.7644 8.2991 105.7598 43.9935 0.0000 173.9526 92 E 4.2103 8.6403 115.6283 58.2137 29.9408 177.5131 93 N 4.5188 8.0251 116.0927 55.2075 39.0942 175.4533 94 Q 4.2091 7.6712 116.9230 55.3080 29.5898 175.9387 95 V 3.7997 8.1307 119.7573 62.8220 32.0442 175.6127 96 E 4.8862 8.5790 127.7490 56.0508 28.0030 175.5299 97 Y 4.2568 8.2285 121.6081 57.9471 40.1486 174.9837 98 L 4.9932 7.2280 122.7562 53.4575 45.5109 174.9135 99 I 4.7877 8.7304 127.2743 59.5241 40.6820 174.5239 100 I 4.6647 8.5662 128.7133 59.7560 39.6079 174.7016 101 T 4.8316 8.7768 124.6150 61.5611 71.1000 173.3156 102 L 4.8758 8.8055 126.3753 52.6720 44.9054 175.5907 103 K 4.7887 8.7858 122.3294 55.5778 35.7163 174.0425 104 E 3.9776 9.1343 125.1901 56.5563 26.6798 171.5342 105 V 4.9580 9.1573 120.7808 60.8873 34.2325 173.6798 106 L 4.9483 9.4169 130.7228 53.4122 44.6235 175.6116 107 V 4.5436 8.4904 126.2627 62.4806 31.3896 176.1315 108 S 4.5720 9.1058 124.7287 60.6396 64.0292 174.4378 109 S 4.7144 7.6927 113.0415 57.3845 66.4949 174.0978 110 V 4.8581 8.2491 120.2854 61.4678 34.4936 174.5334 111 S 4.6482 9.3666 123.7712 57.1756 66.0293 173.0036 112 T 4.8076 9.6909 118.4552 59.6147 71.0942 172.7325 113 G 4.0772 7.6308 110.2499 44.4909 0.0000 171.7053 114 G 4.0815 7.8971 108.3052 43.8401 0.0000 172.9103 115 S 4.2689 9.4871 120.3240 58.6981 62.5212 175.3404 116 G 3.8048 8.0456 109.3076 47.1839 0.0000 174.1325 117 G 3.6898 8.5946 109.3261 45.7990 0.0000 172.7142 118 E 4.6158 7.4265 117.5708 54.4903 30.7872 176.2179 119 D 4.5345 8.6738 122.8689 54.9905 40.2559 176.7377 120 R 4.5465 7.6805 117.8896 54.1407 33.4729 174.5861 121 L 4.5572 8.5328 123.2392 54.7547 43.1154 176.0318 122 T 5.3436 8.4401 111.5646 60.1414 72.2699 172.4434 123 E 4.8605 9.1269 119.0218 55.2367 33.6948 173.4111 124 N 5.2883 9.1436 118.6801 51.5730 41.2147 174.1182 125 V 4.8291 8.1567 123.1221 61.0654 34.9488 174.2132 126 T 5.2565 8.6769 116.2478 59.9024 72.1492 172.6182 127 L 5.3904 9.2923 123.5428 53.1136 45.3049 174.8392 128 N 5.4737 9.4069 122.4020 51.8880 41.6403 173.1615 129 F 6.1370 7.8129 118.1956 55.6898 40.7083 174.1057 130 A 4.3303 8.9799 122.2300 54.5998 19.5933 177.2685 131 Q 5.3041 8.2176 115.1507 54.7623 33.1030 174.0333 132 V 4.8467 8.9632 123.6157 59.9573 35.2124 173.9326 133 Q 4.9158 9.2580 124.5291 54.2474 32.3992 174.0877 134 V 4.8927 9.4377 125.6147 61.3530 34.8060 173.6134 135 D 5.4404 9.2523 128.4370 52.7118 43.7176 174.3967 136 Y 5.0593 9.1986 125.4722 55.8193 41.4132 174.0279 137 Q 4.7459 8.2247 128.9709 53.7480 30.0059 173.3728 138 P 4.6716 0.0000 0.0000 62.7040 32.7724 175.6391 139 Q 5.0698 8.4235 120.4344 53.9332 32.5312 175.6296 140 K 4.2687 9.3696 122.0649 55.4696 33.1171 178.0696 141 A 4.0045 8.6213 122.9322 55.5000 18.0636 178.4347 142 D 4.4928 7.9380 112.2395 53.7971 40.0415 177.1627 143 G 3.9329 8.0286 108.4055 45.0017 0.0000 173.9794 144 A 4.2797 7.9802 121.4751 51.3640 19.7201 177.2765 145 K 4.3092 8.6092 118.9892 56.8664 33.0158 176.7383 146 D 4.5551 9.0186 124.8067 53.1490 41.9463 176.9152 147 G 3.8734 8.5378 116.3820 44.4370 0.0000 171.3490 148 G 3.9256 8.3855 108.2639 43.9802 0.0000 171.4707 149 P 4.6761 0.0000 0.0000 62.6495 32.4609 175.9311 150 V 4.2701 9.1837 122.3121 62.0033 32.8255 174.8370 151 K 5.2997 8.7925 126.5957 54.8509 35.4690 174.8939 152 Y 4.9716 9.2248 124.2185 55.9899 42.4270 174.1618 153 G 4.2358 8.4139 112.2817 44.2008 0.0000 171.0204 154 W 5.2077 8.9266 134.0729 55.7510 34.7010 173.2502 155 N 4.8638 8.6562 127.2242 52.4164 38.2457 175.6658 156 I 3.9909 8.6823 128.1238 64.4877 37.6313 177.9824 157 R 4.0208 8.2785 118.7622 59.2243 29.7134 176.8814 158 Q 4.3326 8.4561 113.1265 54.7358 29.4074 174.6987 159 N 4.2977 7.8545 115.5945 54.4740 38.0359 173.5248 160 V 4.0348 6.3186 107.4972 58.7319 36.7716 175.6419 161 Q 4.3158 8.1044 119.8266 56.3633 29.5106 176.1021 162 A 4.3017 8.3698 121.8403 52.0904 18.8884 176.7298 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 A 8.26 4.43 1.27 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 0.00 0.00 3 V 8.51 3.80 2.37 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 0.90 0.00 0.00 1.06 0.00 0.00 4 D 9.61 4.51 0.00 2.65 2.39 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 *6 F 8.26 4.88 0.00 2.78 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 7 I 8.59 4.85 1.32 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.47 0.17 0.00 0.00 8 K 8.81 4.60 0.00 1.93 1.53 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.30 7.81 9 I 8.18 4.29 1.54 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 1.08 0.31 0.14 0.00 0.00 10 G 8.59 3.64 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 0.00 0.00 0.00 11 D 8.66 4.78 0.00 2.70 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 12 V 7.63 3.70 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 0.76 0.00 0.00 0.91 0.00 0.00 13 K 8.65 4.43 0.00 1.68 1.73 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.38 7.81 14 G 8.50 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 0.00 0.00 0.00 15 E 8.70 4.85 0.00 1.87 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 2.29 0.00 16 S 8.23 4.58 0.00 4.17 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 17 K 8.58 4.67 0.00 1.80 1.81 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.55 7.81 18 D 7.66 4.46 0.00 2.69 2.29 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 19 K 8.85 4.01 0.00 1.72 1.80 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 20 T 7.80 4.27 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 1.14 0.00 0.00 21 H 8.10 4.50 0.00 1.89 2.85 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.92 4.19 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 23 E 8.98 4.03 0.00 2.18 2.04 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 2.22 2.21 0.00 24 E 7.78 4.65 0.00 2.04 2.09 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 2.23 2.34 0.00 25 I 8.32 4.70 1.96 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 1.30 0.75 1.07 0.00 0.00 26 D 8.93 4.71 0.00 2.81 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 27 V 8.18 4.51 1.93 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 0.93 0.00 0.00 0.78 0.00 0.00 28 L 9.13 4.41 0.00 1.39 1.58 0.16 0.51 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 29 A 7.87 4.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.43 5.79 0.00 3.66 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 31 S 9.51 4.47 0.00 3.80 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 32 W 8.36 5.34 0.00 3.61 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 33 G 7.30 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 0.00 0.00 0.00 *35 S 8.09 4.40 0.00 3.86 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 36 Q 8.32 5.01 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.01 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 37 S 8.95 4.43 0.00 3.91 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 38 G 8.05 3.84 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 0.00 0.00 0.00 39 S 8.49 4.53 0.00 3.74 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.65 4.50 0.00 3.18 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 7.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.15 3.73 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 0.00 0.00 0.00 45 G 7.40 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 G 7.62 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 0.00 0.00 0.00 48 A 7.76 4.48 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 49 G 8.28 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 0.00 0.00 0.00 0.00 50 K 8.50 4.89 0.00 1.83 1.90 0.00 1.34 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 51 V 8.37 4.37 1.81 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 0.55 0.00 0.00 0.79 0.00 0.00 52 N 9.13 4.88 0.00 2.64 2.70 0.00 0.00 7.03 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 53 V 8.32 4.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.06 0.00 0.00 54 Q 8.74 4.44 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 55 D 8.72 4.75 0.00 2.66 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 56 L 9.17 4.97 0.00 1.63 1.63 0.40 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.30 5.61 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 9.03 5.60 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 59 T 9.29 5.09 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 1.19 0.00 0.00 60 K 8.65 5.01 0.00 1.90 2.12 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.43 7.81 61 Y 8.30 4.79 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 73 C 8.21 4.61 0.00 3.09 3.01 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 74 S 8.12 4.32 0.00 3.91 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 75 S 8.06 4.15 0.00 3.95 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 76 G 8.09 3.88 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 0.00 0.00 0.00 77 K 7.59 4.20 0.00 1.55 1.56 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.31 7.81 78 H 8.32 5.01 0.00 3.30 3.29 0.00 5.51 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.83 4.61 0.00 2.90 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 80 P 0.00 4.37 0.00 2.11 2.13 0.00 3.73 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 2.15 2.12 0.00 81 Q 7.98 5.12 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 82 A 9.02 5.05 1.03 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 0.00 0.00 83 K 9.05 4.67 0.00 1.62 1.50 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.20 7.81 84 L 8.67 4.65 0.00 1.28 1.01 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.64 4.83 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 86 I 8.50 4.47 1.30 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.90 0.93 0.00 0.00 87 R 9.02 4.99 0.00 1.94 1.88 0.00 3.27 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 88 K 9.04 4.41 0.00 1.71 1.71 0.00 1.55 0.00 0.00 1.34 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.49 7.81 89 A 8.73 4.02 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 90 G 10.08 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 91 G 8.30 3.76 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 0.00 0.00 0.00 92 E 8.64 4.21 0.00 2.07 2.09 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 2.27 2.25 0.00 93 N 8.03 4.52 0.00 2.75 2.92 0.00 0.00 6.98 7.69 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 94 Q 7.67 4.21 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 95 V 8.13 3.80 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 96 E 8.58 4.89 0.00 2.00 1.89 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 2.37 2.34 0.00 97 Y 8.23 4.26 0.00 2.87 3.03 0.00 0.00 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5.34 4.24 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 1.15 0.00 0.00 123 E 9.13 4.86 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 2.18 2.23 0.00 124 N 9.14 5.29 0.00 2.54 2.66 0.00 0.00 6.69 7.41 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 0.00 125 V 8.16 4.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.67 0.00 0.00 126 T 8.68 5.26 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 1.24 0.00 0.00 127 L 9.29 5.39 0.00 1.78 1.79 0.96 0.55 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 0.00 128 N 9.41 5.47 0.00 2.99 2.67 0.00 0.00 6.44 7.29 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 0.00 129 F 7.81 6.14 0.00 3.19 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 0.00 130 A 8.98 4.33 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 0.00 131 Q 8.22 5.30 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 132 V 8.96 4.85 2.19 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 1.23 0.00 0.00 0.72 0.00 0.00 133 Q 9.26 4.92 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 134 V 9.44 4.89 2.54 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 1.21 0.00 0.00 1.33 0.00 0.00 135 D 9.25 5.44 0.00 2.59 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 0.00 136 Y 9.20 5.06 0.00 3.14 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 0.00 137 Q 8.22 4.75 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 138 P 0.00 4.67 0.00 2.35 2.13 0.00 3.64 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 139 Q 8.42 5.07 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 140 K 9.37 4.27 0.00 1.91 1.75 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 141 A 8.62 4.00 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 0.00 142 D 7.94 4.49 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.03 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 0.00 144 A 7.98 4.28 1.28 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 0.00 0.00 145 K 8.61 4.31 0.00 1.66 1.76 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 146 D 9.02 4.56 0.00 2.61 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 0.00 147 G 8.54 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 0.00 0.00 0.00 148 G 8.39 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 0.00 149 P 0.00 4.68 0.00 2.14 2.08 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 150 V 9.18 4.27 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 1.11 0.00 0.00 1.07 0.00 0.00 151 K 8.79 5.30 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.61 7.81 152 Y 9.22 4.97 0.00 3.08 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 0.00 153 G 8.41 4.24 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 0.00 0.00 0.00 154 W 8.93 5.21 0.00 3.24 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 0.00 155 N 8.66 4.86 0.00 2.56 2.51 0.00 0.00 6.80 7.83 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 0.00 156 I 8.68 3.99 2.11 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 1.58 1.05 1.03 0.00 0.00 157 R 8.28 4.02 0.00 1.78 2.14 0.00 3.20 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 158 Q 8.46 4.33 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 159 N 7.85 4.30 0.00 2.91 2.89 0.00 0.00 6.87 7.86 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 0.00 160 V 6.32 4.03 1.81 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 0.62 0.00 0.00 0.68 0.00 0.00 161 Q 8.10 4.32 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 162 A 8.37 4.30 1.14 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.