NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5574 8.2993 120.0956 56.0780 34.5612 175.4677 3 T 4.8882 8.0226 108.0809 58.8696 72.2375 172.4281 4 F 4.7809 10.1624 127.2049 56.6954 42.3355 175.0778 5 I 4.8458 7.9807 126.9150 59.6441 39.5614 174.5081 6 I 5.0215 9.2066 128.2294 59.4215 40.4298 174.6558 7 G 3.8706 9.2015 114.2502 44.2634 0.0000 172.2370 8 I 5.1667 8.8295 125.3916 59.8034 40.3237 174.3486 9 S 5.5866 9.6546 121.8242 54.9260 66.2487 172.5441 10 G 3.7964 8.4871 108.8897 42.7992 0.0000 172.6641 11 V 3.6944 7.4073 120.0552 61.2277 31.7013 175.5594 12 T 3.8664 8.3371 114.9965 63.7214 67.5154 173.1165 13 N 4.3056 8.8303 123.3859 54.4296 36.0980 175.3800 14 S 4.2736 7.6947 112.9971 58.9207 63.9047 174.7450 15 G 4.2293 8.3178 110.9547 45.8414 0.0000 175.9434 16 K 3.9403 8.4311 120.7632 59.6099 32.1034 179.0881 17 T 3.8893 7.9349 115.4187 67.1501 68.3768 176.6133 18 T 3.8724 7.8146 117.0071 66.4616 68.5400 176.4360 19 L 3.9838 7.9547 121.8768 57.9816 42.1566 178.7866 20 A 4.0623 8.2019 120.8675 55.1103 18.2871 179.8446 21 K 3.9388 8.1266 116.9929 59.4974 31.9921 179.2713 22 N 4.0328 7.9956 116.6899 56.2698 38.4609 177.3179 23 L 4.3076 7.9922 120.1208 57.9658 41.5595 179.0635 24 Q 3.9942 7.8880 118.1038 59.4736 28.9540 178.7425 25 K 4.0241 7.8502 117.4967 59.5346 32.2080 178.2001 26 H 4.7917 7.6008 112.5427 54.4815 29.1543 174.6159 27 L 4.8791 7.4519 122.2842 52.1670 43.2503 174.6672 28 P 4.4147 0.0000 0.0000 63.5121 32.9074 175.4363 29 N 4.1839 8.7737 117.1887 55.3891 37.1469 172.9424 30 C 5.4949 7.9316 116.2637 57.9130 34.7236 173.7274 31 S 5.0435 9.4968 121.4641 56.7308 66.6576 173.0223 32 V 4.8714 8.2714 120.1496 61.2882 34.5364 174.5476 33 I 4.6829 8.6702 127.5094 59.6485 40.4485 174.3991 34 S 5.4183 8.5969 122.2643 55.9753 64.9736 175.3394 35 Q 4.1244 9.2870 125.7702 58.8843 29.0865 177.7543 36 D 4.7602 8.1796 116.3091 56.7808 41.0767 176.7370 37 D 4.5464 8.0224 117.4020 55.6936 41.1369 176.5937 38 F 4.7908 7.9843 117.9503 57.1061 40.4132 175.0938 39 F 4.8519 8.4300 118.1289 57.1012 39.2782 175.8535 40 K 4.4024 9.1536 123.9426 55.6128 32.9165 175.3457 41 P 4.4919 0.0000 0.0000 62.4475 32.3038 176.7357 42 E 4.0267 9.1045 120.6950 59.7564 29.3722 178.8932 43 S 4.4506 8.0718 109.7720 59.5184 63.2856 174.0191 44 E 4.5086 8.3688 120.0068 56.5138 30.5432 176.1766 45 I 4.0948 7.1873 119.3058 60.8677 37.9724 175.1509 46 E 4.9200 8.5965 123.2336 54.7863 33.1443 174.7318 47 T 5.1205 8.3023 111.8924 59.9590 71.2401 174.0958 48 D 4.7501 9.0799 125.2842 52.0045 41.0588 177.0790 49 K 3.8281 8.7546 118.1063 60.0399 31.8379 177.6399 50 N 4.5058 8.2578 112.5916 52.7859 38.6541 174.9023 51 G 3.6240 8.1857 105.5658 47.0376 0.0000 174.8652 52 F 5.2856 8.8568 117.8162 55.0241 41.4283 175.7592 53 L 4.4980 8.9184 126.4729 55.2105 41.8814 178.2155 54 Q 4.3874 9.4571 125.1085 55.2879 27.0184 174.6834 55 Y 4.7444 8.4340 116.8947 58.7251 39.6033 175.9805 56 D 5.4903 8.4298 118.7546 54.7927 41.7935 176.4421 57 V 4.6033 7.6897 110.3163 59.2265 35.4698 177.0896 58 L 4.0250 8.4445 121.7633 57.5836 41.6806 179.5170 59 E 3.9793 8.1728 116.8618 58.7561 29.7849 177.2682 60 A 4.5139 8.1650 120.8153 52.0023 18.7869 176.4373 61 L 5.2171 7.3890 115.9878 53.2353 45.2361 176.1429 62 N 4.6573 9.1637 120.3422 52.5434 39.5501 176.1897 *64 E 4.3259 8.5409 118.8653 56.3240 32.1126 177.1915 65 K 4.2929 7.4154 120.5069 55.9899 30.2101 176.9137 *68 S 4.2882 7.9753 116.7257 58.1092 64.6044 175.5940 69 A 4.1609 7.9283 121.8413 55.1444 17.7494 179.7809 70 I 3.7588 7.5409 117.2706 64.7336 37.4031 178.3589 71 S 4.3297 8.0002 114.3841 61.7391 62.9713 176.0755 72 C 4.3990 8.2885 119.6832 62.2669 27.8580 175.6178 73 W 3.9768 7.8308 126.9375 58.2640 29.7713 177.0970 *75 E 4.1793 8.1007 117.7161 56.0115 30.6965 177.4363 76 S 4.3024 7.8170 111.0442 58.9551 63.6808 174.7535 77 A 3.7632 7.3666 124.6359 54.6727 18.5456 179.8805 78 R 4.0954 7.2145 110.4319 57.5589 29.4593 176.4814 79 H 4.8300 8.0169 115.3643 55.2593 29.8981 173.3459 *92 I 3.9901 7.8021 118.4983 60.1334 39.0890 173.3006 93 P 4.8157 0.0000 0.0000 62.9054 32.6591 175.1675 94 I 5.3165 9.6477 125.2303 59.4459 40.6409 174.2050 95 L 4.6978 8.7850 128.4212 53.1733 44.6574 174.8507 96 I 4.8151 8.5812 127.9155 59.9796 39.2944 174.7992 97 I 4.9347 9.5462 129.5807 59.6982 39.2732 174.2785 98 E 5.0586 8.5862 126.3061 54.5849 32.1348 175.4718 99 G 4.3469 8.2352 107.3761 46.0758 0.0000 174.1173 100 F 4.8838 9.5281 115.5089 57.0994 38.6647 176.3151 101 L 3.4638 7.4487 122.8642 53.1397 42.4606 174.0054 102 L 4.6171 8.5185 121.9312 55.7734 44.0848 178.3561 103 F 5.6864 8.0876 114.4449 57.9487 38.5878 175.4643 104 N 5.0693 8.5696 115.3505 52.4796 38.4306 173.3933 105 Y 4.5565 8.0324 121.6380 55.8850 39.0039 175.7595 106 K 4.1830 8.3976 127.6490 58.3424 32.3528 177.8050 107 P 4.1295 0.0000 0.0000 65.1252 31.5920 177.3241 108 L 3.7656 7.7741 117.0992 56.1695 42.2049 178.5064 109 D 3.6112 7.8031 119.0874 57.2197 40.7590 177.9257 110 T 4.1422 7.2340 106.6926 61.9317 69.4366 175.6193 111 I 4.1964 6.8885 122.3277 62.7835 40.2558 176.6883 112 W 4.6359 7.2239 118.2383 57.5561 29.3323 175.0976 113 N 4.7638 8.8109 117.8662 53.9602 40.8510 175.3288 114 R 4.5252 7.5759 117.7662 54.9619 34.0075 173.9206 115 S 4.9622 8.2933 121.2088 56.8034 66.5247 172.4808 116 Y 5.2817 9.2828 121.3818 56.1545 42.1065 174.3593 117 F 5.2114 9.0755 124.5221 56.5180 42.5698 173.4189 118 L 4.9156 8.4849 127.2045 54.3223 42.7756 176.4139 119 T 4.8133 9.2548 120.4967 61.7860 71.4658 172.9393 120 I 4.9121 8.3746 125.7044 58.3226 41.3509 173.3225 121 P 4.6654 0.0000 0.0000 62.3898 32.3793 176.8578 122 Y 3.1540 8.8505 120.7833 60.8949 38.5088 178.4803 123 E 3.5507 8.0523 118.7657 59.2114 29.5377 178.8728 124 E 3.8036 7.9304 118.8468 59.2675 29.7956 178.1430 125 C 4.0541 8.0590 118.8326 62.4016 31.4175 175.5367 126 K 2.4800 7.1057 119.9958 58.7286 31.9025 178.5921 127 R 3.7913 7.5175 118.9435 59.3311 29.9947 178.3409 128 R 3.8183 8.0788 118.1377 59.6375 29.8671 178.8061 129 R 4.0997 8.0032 118.3005 59.5648 29.7062 177.7487 130 S 4.5051 7.6181 111.4818 59.4400 63.5626 174.7615 131 T 4.1671 7.8841 112.3019 62.0144 69.2782 174.3552 132 R 4.2453 7.3890 122.0627 54.3776 31.7050 175.0723 133 V 3.9767 8.0245 125.3712 61.7560 31.3284 174.9635 134 Y 4.1398 8.2938 126.1213 57.4298 39.5136 174.9445 135 Q 4.2263 8.0997 122.1533 54.6815 30.3800 172.5650 136 P 4.3992 0.0000 0.0000 61.7977 32.0497 174.6374 137 P 4.3788 0.0000 0.0000 62.1289 31.9014 176.2894 138 D 3.9841 8.5967 121.6479 54.5271 41.1498 177.0843 139 S 4.4328 8.1329 118.7958 56.9051 64.1632 171.2921 140 P 4.5378 0.0000 0.0000 63.7278 31.3411 177.0489 141 G 4.1012 9.2147 110.8016 46.7684 0.0000 174.4472 142 Y 3.8251 8.1967 122.3932 60.2550 38.6156 177.6769 143 F 3.8898 8.4080 121.1004 61.7547 39.2482 176.8089 144 D 4.2909 8.2789 116.4295 57.0917 40.8792 178.4619 145 G 3.5509 8.0112 105.2872 46.5452 0.0000 173.4589 146 H 4.3620 7.7393 118.0241 57.6027 32.1250 174.5019 147 V 3.6537 7.1884 116.8118 65.7354 31.7690 176.9086 148 W 4.2114 8.4982 130.1813 60.0783 30.8979 177.2525 149 P 4.0408 0.0000 0.0000 63.2089 30.7650 177.3955 *151 Y 4.7152 8.0168 121.3852 57.6872 40.5334 177.1080 152 L 3.4483 7.4497 119.5750 57.2915 41.5459 179.3414 153 K 3.8569 7.7588 119.2848 59.4850 31.8600 178.3412 154 Y 4.1925 7.6094 118.4991 60.8492 38.9577 177.3940 155 R 3.4735 7.5816 118.1565 59.1249 30.0779 178.5345 156 Q 3.9669 7.5016 118.5897 58.5982 29.8155 177.8872 157 E 4.1864 7.7419 120.1235 56.2194 28.1554 177.6976 *159 Q 4.1581 7.8892 117.1469 55.6460 31.0975 176.5675 160 D 4.4943 7.8158 115.6621 54.8243 41.6147 176.7454 161 I 3.1952 7.4920 119.7040 62.1433 37.1298 175.7073 162 T 4.1244 8.4463 115.0629 62.3358 69.5685 174.7547 163 W 4.6181 7.6999 118.7795 54.8779 30.1791 174.4742 164 E 4.2027 8.7440 119.3469 54.9968 29.3226 174.8120 165 V 4.0532 7.8529 126.4618 61.0127 33.5233 174.9517 166 V 4.1256 8.3371 128.7584 62.0055 32.4418 174.3812 167 Y 4.9253 8.8271 126.3894 57.6712 38.9603 175.0728 168 L 4.8926 9.5239 123.5602 52.8531 45.7427 175.5542 169 D 4.9121 8.8468 122.9299 53.5538 41.4387 176.7544 170 G 3.8890 9.1452 115.3980 46.8194 0.0000 173.0398 171 T 4.2141 7.7890 109.2294 62.3645 69.5283 175.2171 172 K 4.1879 7.6021 121.7696 55.7481 32.9047 176.8065 173 S 4.2717 8.3939 113.7251 58.9010 63.8559 174.3251 174 E 4.0732 8.6596 125.8499 58.8343 29.5110 178.5178 175 E 4.2039 8.1054 117.1951 58.9775 30.2322 178.4540 176 D 4.3895 8.0755 119.5850 57.1533 40.9664 178.4951 177 L 4.0359 7.8931 119.2516 57.5876 41.6708 179.1511 178 F 4.2151 7.9847 120.5142 61.4960 39.3889 177.2807 179 L 3.8463 8.1273 118.4776 57.3309 40.7874 179.3333 180 Q 3.8933 7.7722 119.4619 59.1519 28.9731 178.4444 181 V 3.4192 7.5656 119.2219 65.8249 31.0234 177.1187 182 Y 4.1196 8.1030 119.6963 60.9471 38.3742 178.0335 183 E 3.7694 7.9867 119.0747 59.4832 29.4155 178.5918 184 D 4.3554 7.5652 116.1878 57.8001 41.3743 178.4749 185 L 4.1712 8.4083 119.5402 57.3391 41.5670 179.0500 186 I 3.8851 7.1402 118.2728 62.9916 37.0286 176.9926 187 Q 4.5145 7.7465 117.5353 55.9677 28.5329 176.2389 188 E 4.5930 7.7782 120.3136 56.9403 32.3078 177.5473 189 L 3.7551 7.3963 116.4618 55.8948 42.2080 178.0054 190 A 4.1050 8.0127 121.8392 55.0328 18.3138 178.2441 191 K 4.4498 7.3910 113.5406 57.1892 32.3681 177.2047 192 Q 4.2686 7.9875 123.5143 56.1314 29.1997 175.6595 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 8.30 4.56 0.00 1.67 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 3 T 8.02 4.89 4.72 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 1.18 0.00 0.00 4 F 10.16 4.78 0.00 3.18 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 5 I 7.98 4.85 1.97 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 1.35 0.86 0.88 0.00 0.00 6 I 9.21 5.02 2.05 0.00 0.00 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 1.54 1.33 1.22 0.00 0.00 7 G 9.20 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 8 I 8.83 5.17 1.90 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 1.27 0.98 0.94 0.00 0.00 9 S 9.65 5.59 0.00 3.08 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.49 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 0.00 0.00 0.00 11 V 7.41 3.69 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 0.00 0.00 0.63 0.00 0.00 0.69 0.00 0.00 12 T 8.34 3.87 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 1.36 0.00 0.00 13 N 8.83 4.31 0.00 2.93 2.89 0.00 0.00 7.02 7.57 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 14 S 7.69 4.27 0.00 3.91 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 15 G 8.32 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 0.00 0.00 0.00 0.00 16 K 8.43 3.94 0.00 1.83 1.94 0.00 1.86 0.00 0.00 1.86 0.00 0.00 3.24 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 T 7.93 3.89 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 1.21 0.00 0.00 18 T 7.81 3.87 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 19 L 7.95 3.98 0.00 1.90 1.81 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.20 4.06 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 21 K 8.13 3.94 0.00 1.90 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.60 7.81 22 N 8.00 4.03 0.00 2.76 2.02 0.00 0.00 7.05 6.81 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 23 L 7.99 4.31 0.00 1.82 1.90 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.89 3.99 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 K 7.85 4.02 0.00 1.70 1.58 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.63 7.81 26 H 7.60 4.79 0.00 2.98 3.32 0.00 5.82 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 27 L 7.45 4.88 0.00 1.85 1.72 1.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.41 0.00 2.23 2.11 0.00 4.02 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 N 8.77 4.18 0.00 3.01 3.06 0.00 0.00 6.52 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 30 C 7.93 5.49 0.00 3.09 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 31 S 9.50 5.04 0.00 3.71 3.81 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 32 V 8.27 4.87 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 0.84 0.00 0.00 0.99 0.00 0.00 33 I 8.67 4.68 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.39 0.99 0.00 0.00 34 S 8.60 5.42 0.00 4.05 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 35 Q 9.29 4.12 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 36 D 8.18 4.76 0.00 2.87 3.02 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 0.00 0.00 0.00 37 D 8.02 4.55 0.00 2.50 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.98 4.79 0.00 3.08 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 39 F 8.43 4.85 0.00 3.04 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.15 4.40 0.00 1.68 1.81 0.00 1.85 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.71 1.53 7.81 41 P 0.00 4.49 0.00 2.25 2.22 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 42 E 9.10 4.03 0.00 2.08 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 2.45 2.48 0.00 43 S 8.07 4.45 0.00 4.03 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 44 E 8.37 4.51 0.00 2.10 2.03 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 2.27 2.27 0.00 45 I 7.19 4.09 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.18 0.41 0.00 0.00 46 E 8.60 4.92 0.00 1.89 1.82 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 2.28 2.25 0.00 47 T 8.30 5.12 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 1.23 0.00 0.00 48 D 9.08 4.75 0.00 3.00 3.09 0.00 0.00 0.00 0.00 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7.98 4.29 0.00 3.97 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 69 A 7.93 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.54 3.76 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.43 0.85 0.00 0.00 71 S 8.00 4.33 0.00 3.99 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 72 C 8.29 4.40 0.00 3.24 3.04 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 73 W 7.83 3.98 0.00 3.43 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 *75 E 8.10 4.18 0.00 2.23 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 2.26 2.61 0.00 76 S 7.82 4.30 0.00 3.97 4.05 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 77 A 7.37 3.76 0.45 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.13 4.43 0.00 4.10 4.05 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 0.00 140 P 0.00 4.54 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.21 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 0.00 0.00 0.00 142 Y 8.20 3.83 0.00 3.33 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 0.00 143 F 8.41 3.89 0.00 3.21 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 0.00 144 D 8.28 4.29 0.00 2.82 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 0.00 145 G 8.01 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 0.00 146 H 7.74 4.36 0.00 2.04 2.08 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.19 3.65 1.73 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 0.80 0.00 0.00 0.66 0.00 0.00 148 W 8.50 4.21 0.00 2.80 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 0.00 149 P 0.00 4.04 0.00 2.12 2.03 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 *151 Y 8.02 4.72 0.00 2.95 2.71 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 0.00 152 L 7.45 3.45 0.00 1.66 1.47 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.76 3.86 0.00 1.90 1.76 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 154 Y 7.61 4.19 0.00 2.79 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 0.00 155 R 7.58 3.47 0.00 1.48 1.63 0.00 3.06 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 156 Q 7.50 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.64 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 157 E 7.74 4.19 0.00 2.19 1.99 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 2.35 2.57 0.00 *159 Q 7.89 4.16 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.97 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 160 D 7.82 4.49 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.49 3.20 1.31 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.06 -0.70 0.00 0.00 162 T 8.45 4.12 4.31 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 1.31 0.00 0.00 163 W 7.70 4.62 0.00 3.37 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 0.00 164 E 8.74 4.20 0.00 1.95 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 2.18 2.26 0.00 165 V 7.85 4.05 1.52 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 0.02 0.00 0.00 -0.04 0.00 0.00 166 V 8.34 4.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.82 0.00 0.00 167 Y 8.83 4.93 0.00 2.96 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 0.00 168 L 9.52 4.89 0.00 1.61 1.59 0.89 1.21 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 0.00 169 D 8.85 4.91 0.00 2.80 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 0.00 170 G 9.15 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 0.00 171 T 7.79 4.21 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 1.29 0.00 0.00 172 K 7.60 4.19 0.00 2.01 1.84 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.39 4.27 0.00 3.90 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 0.00 174 E 8.66 4.07 0.00 2.07 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 2.35 2.35 0.00 175 E 8.11 4.20 0.00 2.32 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 2.37 2.43 0.00 176 D 8.08 4.39 0.00 2.95 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 0.00 177 L 7.89 4.04 0.00 1.73 1.74 0.97 1.31 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 0.00 178 F 7.98 4.22 0.00 3.03 3.22 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 0.00 179 L 8.13 3.85 0.00 1.76 1.65 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 7.77 3.89 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 181 V 7.57 3.42 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 0.45 0.00 0.00 0.59 0.00 0.00 182 Y 8.10 4.12 0.00 2.13 2.52 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 0.00 183 E 7.99 3.77 0.00 2.04 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 2.28 2.57 0.00 184 D 7.57 4.36 0.00 2.78 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 L 8.41 4.17 0.00 2.02 1.62 1.27 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.14 3.89 1.74 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.76 0.00 0.00 187 Q 7.75 4.51 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 188 E 7.78 4.59 0.00 2.12 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 2.55 2.39 0.00 189 L 7.40 3.76 0.00 1.45 1.57 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.01 4.10 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 0.00 191 K 7.39 4.45 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.41 7.81 192 Q 7.99 4.27 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.