NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9848 7.7274 119.7311 56.2950 34.2228 176.3044 2 G 3.3101 8.1889 108.4221 45.5080 0.0000 171.5594 3 I 3.8433 8.0291 118.3529 60.0991 39.8945 174.1903 4 Y 4.7782 9.0835 122.0531 60.6700 38.7928 176.0926 5 S 4.7240 7.8297 110.0615 57.4159 65.9702 174.1548 6 F 5.8095 8.0058 124.6902 56.5249 42.1493 174.1765 7 W 4.8977 9.3250 124.8091 55.0073 33.3581 174.0197 8 I 4.5018 8.4292 125.1256 59.3102 39.9784 174.6074 9 F 4.9461 8.8492 124.6914 55.3822 41.7744 174.6578 10 D 4.7118 8.9459 125.0661 54.2373 41.7575 176.4696 11 R 4.6649 8.1161 112.7313 55.4651 29.5808 176.1767 12 H 4.6612 7.6939 113.9629 55.8955 29.3389 174.7596 13 C 2.6407 7.6241 114.9575 59.7907 25.1231 172.3839 14 N 4.4909 7.2201 117.9813 52.2129 39.9604 173.2406 15 C 4.5136 8.2597 123.2625 58.0564 32.4855 173.1624 16 I 4.1129 8.1757 127.9920 62.8658 37.8970 175.9795 17 F 4.8555 7.7786 121.0509 56.5479 42.8724 173.5361 18 D 4.4281 7.2124 123.9865 51.4554 43.4552 175.0356 19 R 4.2904 6.4680 118.6030 56.4938 32.5315 172.6665 20 E 4.9468 9.8455 126.2280 56.4799 30.7528 176.7565 21 W 4.8497 8.8275 135.0000 59.7178 32.2566 175.5445 *35 K 4.9431 7.4578 118.3936 56.4733 32.7433 178.2442 36 Q 3.9089 7.9641 117.2009 58.9243 28.7152 178.1666 37 N 4.7415 8.2680 115.3451 56.0938 39.2335 176.9041 38 E 4.0891 7.9523 117.1006 59.4054 29.4283 179.1438 39 E 4.0482 7.7895 118.9636 59.3975 29.6221 178.8533 40 D 4.3571 7.9692 118.9344 57.0696 40.7585 178.6863 41 A 3.8680 7.8044 120.4759 54.8528 18.2224 179.7823 42 K 3.9866 8.0054 117.4012 59.5477 32.1386 179.5301 43 L 3.9608 7.8071 119.5941 58.7942 40.5770 178.8080 44 L 3.8581 7.9894 121.4331 57.8667 41.8639 178.2649 45 Y 3.3065 8.6384 120.7023 60.2272 38.0310 178.4916 46 G 3.3558 7.5887 106.7106 47.7635 0.0000 175.3671 47 M 4.2198 8.1942 121.1932 58.5024 32.1312 178.4682 48 I 3.7535 7.5654 119.9349 64.1374 37.3919 178.2830 49 F 4.2466 7.7975 121.9035 61.1446 39.1839 177.4922 50 S 3.6927 9.1011 114.4318 61.4539 62.8111 176.4825 51 L 3.8925 7.7186 122.9720 57.0165 41.1896 179.4350 52 R 3.7861 8.1256 119.1178 59.5719 29.9637 178.6307 53 S 3.9280 7.5441 112.4407 61.0476 62.2750 175.7910 54 I 3.5630 7.7048 121.5480 64.4758 37.4798 178.0942 55 T 3.9042 7.8747 115.8298 66.4523 68.2908 176.6208 56 Q 4.0899 7.9297 119.6060 58.8694 28.8480 178.4211 57 K 4.0908 8.0415 119.7087 58.8761 32.7702 177.8320 58 L 4.3662 7.7272 120.5795 54.3241 42.4336 176.4625 59 S 4.6958 7.3464 110.6408 56.1752 66.3697 173.1837 60 K 4.4789 9.7506 121.3929 53.8665 34.4085 176.9202 61 G 3.7469 7.7165 111.3197 44.9643 0.0000 172.2933 62 S 4.6178 8.1854 115.5234 58.0080 63.2973 175.7864 63 V 3.7306 7.7784 118.9649 64.5831 32.0300 174.6887 64 K 3.6597 7.7459 117.2668 55.6933 27.8321 174.7086 65 N 4.2210 7.8487 117.4837 53.9761 39.9152 173.2646 66 D 4.8370 8.1430 121.9105 51.7644 44.7201 175.6493 67 I 3.6461 8.1380 114.4886 61.3573 36.5404 175.5180 68 R 4.1235 7.8956 128.1789 56.9017 29.8207 175.0735 69 S 5.1864 7.9074 115.2559 56.4256 66.3482 173.1324 70 I 4.6383 8.1846 124.3589 59.6600 40.3901 174.4625 71 S 5.2182 8.8046 122.3383 57.1053 65.9934 173.2039 72 T 4.5580 8.2324 116.8537 59.8094 70.2005 173.7142 73 G 3.6344 8.5987 109.7977 47.9606 0.0000 174.5299 74 K 4.5875 7.6028 115.4928 55.4273 33.8047 174.7194 75 Y 5.0507 7.3638 116.8524 57.6608 41.0863 172.4598 76 R 4.8595 8.6619 116.7344 55.5085 33.4080 175.1191 77 V 5.4049 8.5204 118.2584 58.7050 30.5587 174.9789 78 H 4.1868 7.9983 118.6102 57.1145 29.9776 175.6034 79 T 5.2941 8.6297 119.2524 62.3815 71.9168 173.8926 80 Y 4.9452 8.6919 124.6487 57.6469 41.6159 173.0585 81 C 4.9793 8.8044 124.5163 58.1572 30.9593 174.3430 82 T 3.9701 7.7993 118.3323 63.0888 69.0138 175.4354 83 A 4.4694 8.3119 124.4630 52.4546 19.6445 177.9420 84 S 4.5201 8.0999 108.9547 57.7544 64.3724 174.0363 85 G 3.8906 8.5238 109.1096 45.7446 0.0000 172.3616 86 L 4.8408 8.4014 118.2998 53.2263 46.0195 176.5099 87 W 4.7282 9.6349 125.5580 56.5135 30.1799 175.8896 88 F 5.0747 9.5829 126.0149 56.1062 39.9852 175.3055 89 V 5.0357 9.2589 124.7207 60.1431 34.5205 174.7969 90 L 5.4624 8.9036 123.5751 54.1312 46.0684 174.1425 91 L 5.2066 9.4623 127.2539 53.5109 43.2139 176.3984 92 S 4.3270 8.9221 124.5459 57.5472 65.8148 175.2822 93 D 4.3827 8.1459 119.6613 53.5022 39.9391 174.6054 94 F 3.6021 8.2313 115.5068 59.3257 36.0019 173.7750 95 K 4.4011 7.1855 120.5124 57.3901 35.1476 176.3367 96 Q 4.1896 7.7540 120.1438 54.8426 30.1659 175.7329 97 Q 4.1946 7.9011 119.3160 54.8631 30.0839 175.0325 98 S 4.1413 8.4663 112.7293 59.5258 62.7913 174.8107 99 Y 4.2574 8.5854 125.8538 58.1613 38.3210 178.2181 100 T 3.8839 7.9051 113.1459 65.0618 68.8241 175.2872 101 Q 3.9406 7.9179 120.4297 58.5610 28.8442 178.4898 102 V 3.9575 7.7879 118.8056 66.0013 31.5914 177.6699 103 L 4.0720 8.4487 120.3842 58.2297 42.0496 178.6042 104 Q 4.4141 8.3403 119.8786 59.6490 28.9479 177.7227 105 Y 4.1535 9.0991 122.9323 60.0661 38.6555 177.8882 106 I 3.4562 8.4585 121.2247 64.4565 37.0934 177.8470 107 Y 3.9841 7.9098 120.5658 60.5119 38.0673 177.9916 108 S 3.7288 8.5219 115.5248 61.6852 63.0297 176.2217 109 H 4.0665 7.4250 119.1862 58.2626 28.2976 177.7028 110 I 3.3865 6.8126 121.5790 64.2927 36.7650 177.9902 111 Y 4.3171 7.7517 120.4603 60.7641 38.7308 177.9859 112 V 3.7834 7.1721 117.3048 65.4220 31.4616 178.2689 113 K 3.9389 7.9584 116.3495 59.8310 32.3614 178.1174 114 Y 3.9893 8.2394 114.0315 61.1268 38.0628 177.7587 115 V 3.5465 7.5999 118.5400 65.2646 31.5932 177.1459 116 S 4.7755 7.9700 114.0609 58.1453 62.9794 174.7457 117 N 4.7725 8.1591 116.0569 53.4050 40.9780 174.7733 118 N 4.6702 7.7317 116.3374 50.8375 36.6594 175.1113 119 L 4.3837 8.0585 124.4252 56.4294 40.1955 178.6270 120 L 4.1769 7.9140 122.4096 56.9866 41.9081 177.1476 121 S 4.4459 7.4293 111.8755 54.8193 63.2278 171.1001 122 P 3.8855 0.0000 0.0000 61.8015 32.3529 175.8597 123 Y 4.3314 7.9715 118.0167 57.3890 38.5315 177.2326 124 D 4.3638 9.3308 124.2174 57.1303 42.6524 179.2101 125 F 3.0467 10.3085 113.5776 57.3454 41.2000 176.8797 126 A 4.4432 8.5830 122.7326 52.2436 22.2283 176.9483 127 E 4.6811 8.2918 112.4587 56.5958 30.4335 178.9480 128 N 4.2608 8.5557 117.9598 54.8941 38.4050 175.4150 129 E 3.9440 9.5048 116.7145 57.2302 29.8902 177.4345 130 N 4.8284 8.5832 120.9293 54.1619 38.3094 175.0325 131 E 4.6034 8.1392 116.8135 56.6959 30.4296 177.7584 132 M 3.6486 8.0295 118.3560 58.2125 32.0883 178.4576 133 R 4.0861 7.2826 115.2674 58.7777 30.4412 178.3228 134 G 3.6707 8.1957 105.0333 47.9162 0.0000 174.4904 135 Q 4.0048 7.9994 118.2138 55.9568 28.5881 172.2982 136 G 3.9922 8.0033 113.1714 45.5984 0.0000 173.4078 137 T 4.6179 7.9264 119.2528 61.0706 72.4014 172.0231 138 R 4.2251 8.4459 123.1302 56.2427 29.4542 177.4411 139 K 4.0751 9.1667 119.1668 58.8538 32.7572 177.6793 140 I 3.7250 7.2064 118.3721 61.3577 37.6173 174.9271 141 T 4.3770 8.1404 120.2056 62.7794 69.9294 173.8287 142 N 3.9192 7.3379 117.9907 51.9307 37.4297 174.2242 143 R 4.0124 8.8858 125.5378 59.8416 29.9876 178.5639 144 N 4.4663 8.2263 115.4190 56.2502 38.7859 177.0272 145 F 3.8257 8.5165 122.3075 61.2288 39.4789 177.1893 146 I 4.0306 8.0006 112.5552 64.0123 37.5387 178.2475 147 S 4.1226 7.8391 116.1949 61.2725 62.9324 176.9369 148 V 3.5862 8.5361 124.5079 63.9840 31.1286 178.1991 149 L 3.8275 7.6679 120.9732 58.0047 41.7533 178.7260 150 E 4.0556 7.9720 117.2759 59.5877 29.6581 179.3375 151 S 4.2707 8.0658 114.9581 61.4919 62.6982 176.3741 152 F 4.3898 8.2918 122.6080 60.6054 39.1254 175.9468 153 L 4.4853 7.6343 116.7183 54.1401 42.7873 177.9183 154 A 4.0167 7.6904 123.3443 54.8044 18.0914 177.7763 155 P 4.4386 0.0000 0.0000 64.1389 32.3060 175.9871 156 M 4.2565 8.3195 117.7756 54.9903 30.8737 176.7471 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 1 M 7.73 4.98 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 2 G 8.19 3.31 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 0.00 3 I 8.03 3.84 1.71 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 1.41 0.70 0.29 0.00 0.00 4 Y 9.08 4.78 0.00 2.90 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 5 S 7.83 4.72 0.00 3.02 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 6 F 8.01 5.81 0.00 3.39 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 7 W 9.33 4.90 0.00 3.35 2.43 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 8 I 8.43 4.50 1.83 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.51 0.00 0.00 9 F 8.85 4.95 0.00 2.86 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.95 4.71 0.00 2.53 2.55 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 11 R 8.12 4.66 0.00 1.96 2.26 0.00 2.65 0.00 0.00 3.53 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.24 0.00 12 H 7.69 4.66 0.00 3.17 3.06 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.62 2.64 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.22 4.49 0.00 2.62 2.58 0.00 0.00 6.65 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 15 C 8.26 4.51 0.00 3.00 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 16 I 8.18 4.11 1.79 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 1.28 0.63 0.98 0.00 0.00 17 F 7.78 4.86 0.00 2.96 2.69 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 0.00 0.00 0.00 0.00 18 D 7.21 4.43 0.00 2.13 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 0.00 0.00 0.00 0.00 19 R 6.47 4.29 0.00 1.85 1.73 0.00 3.38 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 20 E 9.85 4.95 0.00 1.95 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 0.00 2.08 2.15 0.00 21 W 8.83 4.85 0.00 3.45 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 *35 K 7.46 4.94 0.00 1.93 1.88 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 36 Q 7.96 3.91 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 37 N 8.27 4.74 0.00 2.77 2.94 0.00 0.00 6.88 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.95 4.09 0.00 2.04 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 2.53 2.34 0.00 39 E 7.79 4.05 0.00 2.42 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 0.00 2.31 2.36 0.00 40 D 7.97 4.36 0.00 3.10 2.77 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 41 A 7.80 3.87 1.62 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 42 K 8.01 3.99 0.00 2.05 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.74 7.81 43 L 7.81 3.96 0.00 1.88 1.90 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.99 3.86 0.00 1.55 1.62 0.06 0.59 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 45 Y 8.64 3.31 0.00 2.65 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 46 G 7.59 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.19 4.22 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 48 I 7.57 3.75 1.92 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 1.62 0.75 1.27 0.00 0.00 49 F 7.80 4.25 0.00 2.24 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 50 S 9.10 3.69 0.00 3.97 4.01 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 51 L 7.72 3.89 0.00 1.81 1.71 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.13 3.79 0.00 2.03 2.01 0.00 2.99 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 53 S 7.54 3.93 0.00 3.43 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.70 3.56 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 0.85 0.00 0.00 55 T 7.87 3.90 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 56 Q 7.93 4.09 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 57 K 8.04 4.09 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 58 L 7.73 4.37 0.00 1.75 1.66 0.90 0.92 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 59 S 7.35 4.70 0.00 3.93 3.90 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 60 K 9.75 4.48 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.37 7.81 61 G 7.72 3.75 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 0.00 0.00 0.00 62 S 8.19 4.62 0.00 3.80 3.82 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 63 V 7.78 3.73 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 0.86 0.00 0.00 0.93 0.00 0.00 64 K 7.75 3.66 0.00 1.96 1.89 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.35 7.81 65 N 7.85 4.22 0.00 2.64 2.74 0.00 0.00 7.08 8.47 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 66 D 8.14 4.84 0.00 2.62 2.43 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 67 I 8.14 3.65 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.34 0.89 0.00 0.00 68 R 7.90 4.12 0.00 1.92 1.82 0.00 3.10 0.00 0.00 3.26 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 69 S 7.91 5.19 0.00 3.90 3.67 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 70 I 8.18 4.64 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.88 0.00 0.00 71 S 8.80 5.22 0.00 3.82 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 72 T 8.23 4.56 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 73 G 8.60 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.60 4.59 0.00 1.88 1.93 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 75 Y 7.36 5.05 0.00 3.33 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 76 R 8.66 4.86 0.00 1.64 1.49 0.00 2.88 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.71 0.00 77 V 8.52 5.40 2.24 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 0.98 0.00 0.00 1.06 0.00 0.00 78 H 8.00 4.19 0.00 3.21 3.39 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.63 5.29 4.65 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 0.00 0.00 0.00 1.32 0.00 0.00 80 Y 8.69 4.95 0.00 3.10 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 81 C 8.80 4.98 0.00 2.55 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 0.00 0.00 0.00 82 T 7.80 3.97 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 1.19 0.00 0.00 83 A 8.31 4.47 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 84 S 8.10 4.52 0.00 4.04 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 85 G 8.52 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 86 L 8.40 4.84 0.00 1.50 1.21 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 87 W 9.63 4.73 0.00 3.37 3.18 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 88 F 9.58 5.07 0.00 3.43 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.26 5.04 2.65 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 1.34 0.00 0.00 1.20 0.00 0.00 90 L 8.90 5.46 0.00 2.21 1.77 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.46 5.21 0.00 1.83 1.78 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.92 4.33 0.00 3.67 3.75 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 93 D 8.15 4.38 0.00 2.20 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 0.00 0.00 0.00 94 F 8.23 3.60 0.00 3.18 3.13 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 95 K 7.19 4.40 0.00 1.97 1.67 0.00 1.96 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.43 7.81 96 Q 7.75 4.19 0.00 1.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 97 Q 7.90 4.19 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 98 S 8.47 4.14 0.00 4.04 3.99 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 99 Y 8.59 4.26 0.00 2.98 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 0.00 100 T 7.91 3.88 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 1.20 0.00 0.00 101 Q 7.92 3.94 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 102 V 7.79 3.96 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 1.19 0.00 0.00 0.86 0.00 0.00 103 L 8.45 4.07 0.00 2.27 1.98 1.24 1.30 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 0.00 104 Q 8.34 4.41 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 105 Y 9.10 4.15 0.00 2.99 3.19 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 0.00 106 I 8.46 3.46 2.08 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.88 0.00 0.00 107 Y 7.91 3.98 0.00 1.43 2.65 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 0.00 0.00 0.00 0.00 108 S 8.52 3.73 0.00 3.89 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 0.00 109 H 7.43 4.07 0.00 1.66 2.85 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 6.81 3.39 1.69 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.58 -0.17 0.00 0.00 111 Y 7.75 4.32 0.00 3.45 3.23 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 0.00 112 V 7.17 3.78 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 1.24 0.00 0.00 0.80 0.00 0.00 113 K 7.96 3.94 0.00 1.82 1.70 0.00 2.05 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.69 7.81 114 Y 8.24 3.99 0.00 3.24 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 0.00 115 V 7.60 3.55 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 0.11 0.00 0.00 0.31 0.00 0.00 116 S 7.97 4.78 0.00 4.11 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 0.00 117 N 8.16 4.77 0.00 2.90 2.77 0.00 0.00 7.09 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.73 4.67 0.00 2.77 2.88 0.00 0.00 6.04 6.67 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 0.00 119 L 8.06 4.38 0.00 1.66 1.66 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.91 4.18 0.00 1.59 1.72 0.88 0.88 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 0.00 121 S 7.43 4.45 0.00 3.88 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 0.00 122 P 0.00 3.89 0.00 2.23 1.98 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 123 Y 7.97 4.33 0.00 3.22 3.17 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 0.00 124 D 9.33 4.36 0.00 2.77 2.80 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 0.00 125 F 10.31 3.05 0.00 3.18 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 0.00 126 A 8.58 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.29 4.68 0.00 1.97 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 2.29 2.28 0.00 128 N 8.56 4.26 0.00 2.87 2.94 0.00 0.00 7.16 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 9.50 3.94 0.00 2.07 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 2.32 2.47 0.00 130 N 8.58 4.83 0.00 2.68 2.79 0.00 0.00 6.77 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.14 4.60 0.00 1.94 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 0.00 2.14 2.32 0.00 132 M 8.03 3.65 0.00 1.63 1.89 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.25 0.00 133 R 7.28 4.09 0.00 1.66 1.80 0.00 3.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 134 G 8.20 3.67 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 0.00 0.00 0.00 135 Q 8.00 4.00 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 136 G 8.00 3.99 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 0.00 0.00 0.00 137 T 7.93 4.62 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 138 R 8.45 4.23 0.00 2.26 2.14 0.00 2.93 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 139 K 9.17 4.08 0.00 1.94 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.68 7.81 140 I 7.21 3.73 2.01 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.28 1.18 0.00 0.00 141 T 8.14 4.38 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 142 N 7.34 3.92 0.00 2.84 2.81 0.00 0.00 7.19 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 0.00 143 R 8.89 4.01 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 144 N 8.23 4.47 0.00 3.34 3.31 0.00 0.00 6.77 8.13 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 0.00 145 F 8.52 3.83 0.00 3.27 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 0.00 146 I 8.00 4.03 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.71 1.34 0.00 0.00 147 S 7.84 4.12 0.00 4.08 4.41 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 0.00 0.00 0.00 0.00 148 V 8.54 3.59 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 0.14 0.00 0.00 0.73 0.00 0.00 149 L 7.67 3.83 0.00 1.27 1.68 0.73 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.97 4.06 0.00 2.12 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 2.47 2.73 0.00 151 S 8.07 4.27 0.00 4.13 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 0.00 152 F 8.29 4.39 0.00 3.04 3.26 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 0.00 153 L 7.63 4.49 0.00 1.78 1.76 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.69 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.44 0.00 2.21 2.00 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 156 M 8.32 4.26 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.