NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4600 8.3049 120.3478 55.2374 33.4260 174.5215 2 L 4.6245 8.1587 123.0496 50.7270 45.3610 175.6387 3 D 4.8441 8.7042 124.7612 52.2881 44.0393 176.5214 4 A 3.9449 8.4447 120.1134 55.3615 18.1384 180.1380 5 F 4.0790 8.1356 115.7983 60.7369 39.2348 177.6703 6 A 4.0994 9.2290 120.7452 54.8119 18.1011 179.5845 7 K 3.8256 8.0809 118.3439 59.7041 32.3218 179.1680 8 V 3.5527 7.4827 118.5488 65.9757 31.3910 178.0111 9 V 3.5815 7.9172 117.7023 66.1274 31.4989 177.8611 10 A 4.0209 8.6190 120.6897 55.2891 18.1220 179.6719 11 Q 3.9734 8.1775 116.4424 58.8701 28.7346 178.6843 12 A 3.9877 8.1877 122.0610 55.0696 18.3557 179.1932 13 D 4.2102 8.5328 116.8598 57.3853 41.1133 178.3040 14 A 4.0250 7.8393 119.6600 54.1657 18.4183 178.6612 15 R 4.4321 7.2502 114.0396 54.9208 30.7806 176.3333 16 G 3.8819 8.1101 106.9017 46.8085 0.0000 173.6176 17 E 4.7839 8.3029 117.6346 53.9222 32.7366 176.2926 18 F 4.4605 8.5889 119.4208 56.4271 40.1596 175.9771 19 L 4.2932 8.4038 123.1640 54.9149 42.1987 178.1304 20 S 4.5636 9.1172 118.1842 57.7741 65.4307 175.3338 21 N 4.3887 8.5647 118.9009 56.5732 38.1896 177.8701 22 T 3.8818 7.8550 116.8772 66.7069 68.5414 176.5309 23 Q 4.0190 8.3249 120.0617 58.9188 28.6659 178.7457 24 L 4.0338 8.1051 120.0037 57.9711 41.6550 179.3006 25 D 4.3651 8.5038 118.8571 57.4142 40.8617 178.7735 26 A 4.0136 8.1032 121.2047 55.1715 18.2715 179.7395 27 L 3.9769 8.3722 117.5918 57.7215 41.7195 179.4151 28 A 4.0835 8.4884 121.2779 55.3724 18.0711 179.4358 29 N 4.3528 8.1843 114.0687 56.7497 38.9154 177.2806 30 M 4.2509 8.0092 120.0078 58.2953 31.9818 178.7384 31 I 3.8535 8.2905 120.2934 64.4806 37.0662 178.2862 32 A 4.0584 7.9379 120.5283 54.9114 18.5191 178.6774 33 E 4.3586 8.0963 114.8286 56.8277 29.7546 178.7568 34 G 3.8062 8.1058 107.6904 48.2489 0.0000 175.4865 35 N 4.4550 8.2202 118.8963 55.8645 38.5612 177.5752 36 K 3.9950 7.9822 119.3720 59.2910 32.2622 179.2214 37 R 3.9304 8.1721 119.0114 59.5115 30.0103 178.4749 38 L 4.0368 8.4734 119.1072 58.0208 41.5154 179.2999 39 D 4.4051 8.3356 118.9196 57.4293 40.8202 178.9548 40 I 3.7382 7.8972 120.3386 64.3887 37.1295 178.7235 41 V 3.6489 8.0202 119.1969 65.9443 31.2731 177.5951 42 N 4.3493 8.6576 117.3392 56.6955 38.5260 177.0776 43 R 3.9399 8.0867 119.0190 59.1740 30.5313 178.8532 44 I 3.9108 7.6781 119.4027 64.5209 36.6407 178.1626 45 N 4.3496 8.2464 117.2853 56.6041 38.1875 177.6004 46 S 4.3724 8.3323 115.1676 60.2602 63.2017 174.7799 47 N 4.9187 7.7735 117.0773 52.5076 39.6230 175.7467 48 A 3.9813 7.8868 121.9404 55.7935 18.2229 180.5963 49 S 4.0537 8.1055 112.3831 61.7426 62.8799 176.8223 50 A 3.9956 7.9036 122.8530 55.0721 18.1434 179.3770 51 I 3.6195 8.2359 118.7564 64.5955 37.2408 178.8665 52 V 3.6004 7.9585 118.7692 66.2099 31.4395 178.2514 53 S 4.1675 8.3919 115.2609 61.8162 62.7135 176.5969 54 N 4.3620 8.5360 119.4854 56.3618 37.9763 177.7549 55 S 4.1132 7.9242 116.6334 61.2407 62.8021 176.5397 56 A 3.6906 8.0362 123.7590 54.7619 18.1057 179.5854 57 R 3.8971 8.1762 117.2136 59.5066 30.1009 178.6842 58 A 3.9295 7.9634 120.5854 54.9629 18.3366 179.1675 59 L 3.7329 7.5792 118.8754 58.4990 41.8504 179.2452 60 F 4.6384 7.7382 115.7598 59.9086 38.9410 177.3897 61 A 4.2248 7.7697 120.2981 54.9557 18.2665 179.1318 62 E 4.1622 8.1999 116.5360 58.0344 31.1769 177.5707 63 Q 5.2277 8.5657 116.9336 52.2711 28.9268 174.3584 64 P 4.3734 0.0000 0.0000 66.1542 31.2636 178.5027 65 Q 4.2346 8.1636 117.0238 58.5796 28.5695 178.4198 66 L 3.9651 8.4662 121.1339 56.9438 41.4795 178.3858 67 I 4.2759 7.2914 109.3466 60.5254 38.5033 175.8759 68 Q 4.1655 7.4621 120.0573 54.6358 29.4083 173.5261 69 P 2.9700 0.0000 0.0000 64.0345 31.4865 176.4153 70 G 4.1117 8.6556 111.3977 45.4969 0.0000 174.0381 71 G 4.4196 8.3323 113.5207 44.5991 0.0000 175.1640 *73 A 4.0827 8.7296 127.1956 51.2325 19.7619 176.4205 74 Y 4.2455 7.8512 118.8233 58.8780 39.7535 175.0021 75 T 3.1304 7.2871 114.2023 61.9907 69.1681 172.6792 76 N 4.2315 8.2971 120.1352 56.3219 38.5227 177.7349 77 R 3.9479 7.7885 119.9726 59.3222 30.1455 178.6246 78 R 3.9762 7.7644 117.8158 59.1427 30.1289 178.4213 79 M 3.9501 8.1568 117.9482 58.7493 32.2229 178.1475 80 A 4.0020 8.5101 120.9533 55.1641 18.4694 179.5070 81 A 4.0136 8.0751 119.3627 55.1848 18.4074 179.4941 82 C 4.1367 8.4185 117.7118 62.7256 31.7055 175.7708 83 L 4.0588 8.1676 120.6638 57.7817 41.1396 179.4937 84 R 3.9146 8.1737 118.5883 59.6760 30.0683 178.3425 85 D 4.4457 8.4179 118.7358 57.6345 40.7748 178.7711 86 M 4.1363 8.1152 119.3643 58.4003 31.9839 178.4482 87 E 3.9891 8.4768 119.5273 59.0067 29.6773 178.9866 88 I 3.6826 8.0172 120.2720 64.3662 37.2218 178.4748 89 V 3.6500 7.8805 119.0850 65.9728 31.3019 177.8032 90 L 3.9326 8.1134 120.1282 57.8987 41.9105 178.9279 91 R 3.4429 8.3796 118.9625 59.6144 30.0350 178.2419 92 Y 3.5540 7.8959 116.7995 60.6184 37.7740 178.6864 93 V 3.3594 8.0358 120.0381 65.8881 31.5870 178.2670 94 S 4.1343 8.1470 114.3454 61.5422 62.5981 176.1992 95 Y 4.2723 7.6164 120.1941 61.0315 37.5727 178.1881 96 A 3.8754 7.9303 121.7084 54.8954 18.0410 179.3569 97 E 4.0767 7.7552 117.1738 59.5369 29.8476 178.6063 98 I 3.9107 7.6535 117.4679 63.8975 38.3485 177.4305 99 A 4.2308 8.4659 121.6682 52.4916 18.0951 177.7574 100 G 4.2408 8.5140 105.2528 45.7162 0.0000 173.4387 101 D 4.4878 7.7166 115.1701 51.8560 44.1761 175.8756 102 S 4.1279 8.7922 120.9840 59.6140 62.9574 175.9388 103 S 4.1014 9.1087 120.9876 62.2782 62.6181 176.7965 104 V 3.6283 7.7523 120.8105 64.7678 30.9425 177.8464 105 L 3.8712 7.8179 120.2815 58.2156 42.1205 178.6205 106 D 4.2939 8.4383 119.0834 57.0845 40.4292 178.5311 107 D 4.2800 7.9984 118.7629 57.1848 41.3688 178.7438 108 R 4.0976 7.8823 115.9969 57.3812 30.3014 176.5251 109 C 4.2246 7.2505 115.7804 60.6691 33.7777 174.8626 110 L 4.0230 8.0678 119.6317 57.1889 41.4931 176.7103 111 N 4.4229 7.6973 117.6707 55.6651 39.0016 174.7235 112 G 4.2272 8.9386 115.0956 45.1481 0.0000 174.5298 113 L 3.6920 7.8897 121.4387 58.0134 41.9574 178.5931 114 R 3.9937 8.0294 118.1429 59.7344 29.9984 178.1848 115 E 3.9555 8.0715 117.5196 59.6134 29.5285 178.9591 116 T 3.8138 7.7821 115.7793 67.2014 68.5774 176.1320 117 Y 4.4761 7.8964 118.2194 61.2681 37.9704 178.7349 118 Q 4.0758 8.2926 118.8274 58.8229 28.5784 178.6430 119 A 4.1247 8.3960 121.3142 55.2246 18.5578 179.5171 120 L 4.1824 8.2487 116.7903 56.0792 41.7281 178.5473 121 G 3.9722 7.6862 104.7620 45.3515 0.0000 173.1382 122 T 4.1121 7.7720 117.2916 61.6871 69.1665 172.7457 123 P 4.2718 0.0000 0.0000 62.5650 31.7248 177.1148 124 G 3.5950 8.9387 111.4238 47.8185 0.0000 174.8071 125 S 4.2793 8.0633 116.2449 61.1935 62.8360 176.6882 126 S 4.1048 7.8254 118.5893 61.2653 62.4896 176.7294 127 V 3.4575 7.4408 120.3355 65.8777 31.2911 177.7426 128 A 4.0261 8.3704 120.9939 55.1546 18.0801 179.8299 129 V 3.4678 7.7861 116.6258 65.9780 31.6158 178.1213 130 A 3.8821 7.8897 120.5570 55.2506 18.1311 179.7092 131 I 3.7735 8.1574 118.7448 64.5186 37.1763 178.3061 132 E 3.8640 8.5278 120.5233 59.1773 29.4280 179.0792 133 K 3.9647 8.1539 118.7812 59.5183 31.9913 179.3139 134 M 4.1092 7.9479 120.4885 57.3106 31.7376 178.6143 135 K 2.4800 7.6934 120.0213 58.9354 32.3238 178.5146 136 E 3.7937 7.8323 118.4621 59.3976 29.3931 179.2985 137 A 3.9275 7.8149 120.5050 55.3065 18.3641 179.9469 138 S 4.0717 8.1583 113.9564 61.8074 62.9479 177.1743 139 V 3.5936 7.9447 121.2146 65.8933 30.9748 178.0525 140 S 4.1283 7.7968 112.3597 61.1038 62.5002 175.6155 141 D 4.4654 8.0901 121.5772 57.4048 40.4282 178.5948 142 A 4.0913 8.1379 120.0553 54.7924 18.4281 178.4505 143 N 4.6643 7.8222 112.4162 52.5964 39.1486 174.4934 144 D 4.6284 7.4920 121.8924 53.3300 42.2270 176.1093 145 S 4.5371 8.4784 119.3270 57.7177 63.8764 173.6097 146 S 4.3170 9.1850 118.9404 59.9541 62.2052 173.9726 147 G 4.0707 10.0232 116.3087 45.3304 0.0000 172.5966 148 T 4.7285 7.7731 108.3978 58.7913 71.9941 171.8205 149 P 4.3044 0.0000 0.0000 62.5702 31.9919 176.3296 150 S 4.2648 8.5363 116.5426 58.1950 63.0104 173.6401 151 G 3.9262 7.9463 114.0679 45.7293 0.0000 171.0399 152 D 4.8150 8.7195 118.9575 53.0021 42.1764 175.9373 153 C 4.9244 8.4204 123.8337 59.3012 29.4972 176.1714 154 S 4.1349 8.3573 118.9077 61.6854 62.2980 176.2802 155 S 4.1542 8.0014 117.4001 61.0226 62.8124 176.3684 156 L 3.9833 7.8148 122.1816 57.7916 41.5341 179.4527 157 S 4.2212 8.5277 115.1358 61.0661 62.6214 176.7371 158 A 3.9352 7.8903 123.9173 55.0012 18.0918 179.0433 159 E 3.5677 8.2579 118.1491 59.2456 29.6089 178.6968 160 L 4.2183 8.2773 120.6691 58.3914 42.2093 179.1115 161 G 3.8142 8.1735 105.4698 48.3296 0.0000 175.6554 162 T 3.8869 7.9194 117.9142 66.5123 68.4160 176.4255 163 Y 4.3335 7.4879 118.4630 61.1310 37.8989 178.3542 164 F 4.1369 8.1216 118.2573 60.9316 39.1297 177.4204 165 D 4.4572 8.4538 118.2953 57.6103 40.6260 179.1484 166 R 3.9842 8.2175 118.3027 59.1339 29.4921 179.0512 167 A 3.9897 7.9469 119.9402 55.1159 18.2286 179.4898 168 A 4.0401 8.0800 118.4980 55.3070 18.3794 179.6044 169 S 4.3022 8.2251 112.1169 60.8657 63.2062 176.2696 170 A 4.1940 7.8570 123.2019 54.0017 18.2140 178.7770 171 V 4.3281 7.3631 108.5242 61.4740 32.3256 176.1826 172 S 4.2797 7.7373 117.5050 58.3967 63.0846 173.6942 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 8.30 4.46 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 2 L 8.16 4.62 0.00 1.71 1.52 0.92 0.75 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 3 D 8.70 4.84 0.00 3.22 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 4 A 8.44 3.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.14 4.08 0.00 3.28 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 6 A 9.23 4.10 1.36 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 7 K 8.08 3.83 0.00 1.99 1.97 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 V 7.48 3.55 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 0.96 0.00 0.00 0.92 0.00 0.00 9 V 7.92 3.58 2.25 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 1.03 0.00 0.00 0.98 0.00 0.00 10 A 8.62 4.02 1.34 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 0.00 0.00 11 Q 8.18 3.97 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 12 A 8.19 3.99 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 13 D 8.53 4.21 0.00 2.80 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 14 A 7.84 4.02 1.35 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 0.00 0.00 0.00 15 R 7.25 4.43 0.00 2.01 1.97 0.00 3.29 0.00 0.00 3.39 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 16 G 8.11 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 17 E 8.30 4.78 0.00 1.90 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 2.26 2.46 0.00 18 F 8.59 4.46 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 19 L 8.40 4.29 0.00 1.70 1.67 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.12 4.56 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.56 4.39 0.00 2.76 2.92 0.00 0.00 6.81 7.05 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 22 T 7.86 3.88 4.25 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 1.22 0.00 0.00 23 Q 8.32 4.02 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 24 L 8.11 4.03 0.00 1.88 1.76 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.50 4.37 0.00 2.85 2.73 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 26 A 8.10 4.01 1.34 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 0.00 0.00 27 L 8.37 3.98 0.00 1.95 2.09 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.49 4.08 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 29 N 8.18 4.35 0.00 2.89 2.91 0.00 0.00 7.09 7.24 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 30 M 8.01 4.25 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 31 I 8.29 3.85 2.11 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 1.94 0.94 0.94 0.00 0.00 32 A 7.94 4.06 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 33 E 8.10 4.36 0.00 2.19 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 2.47 2.48 0.00 34 G 8.11 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 0.00 0.00 0.00 35 N 8.22 4.45 0.00 2.76 2.91 0.00 0.00 7.06 8.07 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 36 K 7.98 4.00 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 37 R 8.17 3.93 0.00 2.03 2.15 0.00 3.19 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 38 L 8.47 4.04 0.00 1.86 1.73 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.34 4.41 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.90 3.74 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.26 0.99 0.00 0.00 41 V 8.02 3.65 2.12 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 1.03 0.00 0.00 1.03 0.00 0.00 42 N 8.66 4.35 0.00 2.96 2.95 0.00 0.00 7.22 7.20 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 43 R 8.09 3.94 0.00 2.04 2.01 0.00 3.52 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 44 I 7.68 3.91 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.30 0.94 0.00 0.00 45 N 8.25 4.35 0.00 2.90 2.88 0.00 0.00 7.11 7.08 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 46 S 8.33 4.37 0.00 3.87 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 47 N 7.77 4.92 0.00 2.87 2.77 0.00 0.00 6.66 6.88 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 48 A 7.89 3.98 1.40 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 75 T 7.29 3.13 3.97 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 0.00 0.00 0.72 0.00 0.00 76 N 8.30 4.23 0.00 2.68 2.86 0.00 0.00 6.68 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 77 R 7.79 3.95 0.00 1.83 1.87 0.00 3.17 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 78 R 7.76 3.98 0.00 2.01 1.96 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 79 M 8.16 3.95 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 80 A 8.51 4.00 1.38 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 0.00 0.00 0.00 81 A 8.08 4.01 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 82 C 8.42 4.14 0.00 3.18 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 83 L 8.17 4.06 0.00 1.78 1.75 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.17 3.91 0.00 2.02 2.19 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 D 8.42 4.45 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 86 M 8.12 4.14 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 87 E 8.48 3.99 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 88 I 8.02 3.68 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 1.17 0.00 0.00 89 V 7.88 3.65 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 1.03 0.00 0.00 1.06 0.00 0.00 90 L 8.11 3.93 0.00 1.97 1.78 1.14 0.79 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 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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 0.00 100 G 8.51 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 0.00 101 D 7.72 4.49 0.00 2.58 2.50 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 0.00 102 S 8.79 4.13 0.00 4.18 4.40 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 0.00 103 S 9.11 4.10 0.00 4.12 3.97 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 0.00 0.00 0.00 104 V 7.75 3.63 2.12 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 0.87 0.00 0.00 1.14 0.00 0.00 105 L 7.82 3.87 0.00 1.71 1.85 0.88 1.24 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 0.00 106 D 8.44 4.29 0.00 2.68 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 0.00 107 D 8.00 4.28 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.39 2.46 0.00 116 T 7.78 3.81 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 0.97 0.00 0.00 117 Y 7.90 4.48 0.00 3.18 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 0.00 118 Q 8.29 4.08 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 A 8.40 4.12 1.36 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 0.00 120 L 8.25 4.18 0.00 1.73 1.83 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.69 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.77 4.11 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 0.87 0.00 0.00 123 P 0.00 4.27 0.00 2.19 2.21 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 124 G 8.94 3.60 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 0.00 0.00 0.00 125 S 8.06 4.28 0.00 4.04 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 0.00 126 S 7.83 4.10 0.00 4.09 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 0.00 127 V 7.44 3.46 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 1.08 0.00 0.00 0.34 0.00 0.00 128 A 8.37 4.03 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 0.00 129 V 7.79 3.47 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 1.01 0.00 0.00 0.92 0.00 0.00 130 A 7.89 3.88 1.24 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 0.00 131 I 8.16 3.77 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 1.13 0.00 0.00 132 E 8.53 3.86 0.00 2.15 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 0.00 2.27 2.50 0.00 133 K 8.15 3.96 0.00 1.89 1.76 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.63 7.81 134 M 7.95 4.11 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 135 K 7.69 2.48 0.00 1.12 1.65 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.15 1.10 7.81 136 E 7.83 3.79 0.00 2.11 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 2.26 2.23 0.00 137 A 7.81 3.93 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 0.00 138 S 8.16 4.07 0.00 3.76 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 0.00 139 V 7.94 3.59 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 1.01 0.00 0.00 0.94 0.00 0.00 140 S 7.80 4.13 0.00 3.90 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 0.00 141 D 8.09 4.47 0.00 2.97 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 0.00 142 A 8.14 4.09 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 0.00 143 N 7.82 4.66 0.00 2.79 2.86 0.00 0.00 6.93 8.19 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 0.00 144 D 7.49 4.63 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.48 4.54 0.00 4.04 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 0.00 146 S 9.19 4.32 0.00 3.78 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 0.00 147 G 10.02 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 0.00 0.00 0.00 148 T 7.77 4.73 4.25 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 1.32 0.00 0.00 149 P 0.00 4.30 0.00 2.07 2.03 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 150 S 8.54 4.26 0.00 3.83 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 0.00 151 G 7.95 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 0.00 152 D 8.72 4.81 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 C 8.42 4.92 0.00 2.99 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 0.00 154 S 8.36 4.13 0.00 4.08 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 0.00 155 S 8.00 4.15 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.81 3.98 0.00 1.90 1.79 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.53 4.22 0.00 3.85 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 0.00 158 A 7.89 3.94 1.38 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 0.00 0.00 0.00 159 E 8.26 3.57 0.00 2.04 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 0.00 1.76 2.05 0.00 160 L 8.28 4.22 0.00 2.06 1.91 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.17 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 0.00 0.00 0.00 162 T 7.92 3.89 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 1.11 0.00 0.00 163 Y 7.49 4.33 0.00 3.07 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 0.00 164 F 8.12 4.14 0.00 3.26 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 0.00 165 D 8.45 4.46 0.00 2.88 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 0.00 166 R 8.22 3.98 0.00 2.19 2.04 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 167 A 7.95 3.99 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 0.00 168 A 8.08 4.04 1.36 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 0.00 169 S 8.23 4.30 0.00 4.11 4.15 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 0.00 170 A 7.86 4.19 1.44 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 0.00 0.00 171 V 7.36 4.33 2.28 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 1.07 0.00 0.00 1.11 0.00 0.00 172 S 7.74 4.28 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.