NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7755 8.2827 118.2377 52.8596 38.5932 174.2140 6 L 3.8700 8.6929 118.1990 56.8923 42.3713 178.0008 7 S 4.4207 8.9628 113.1699 60.7885 64.8427 173.4174 8 Y 4.8127 7.6606 117.9782 55.0997 38.1231 173.7125 9 P 4.6195 0.0000 0.0000 64.1529 32.0153 178.1270 10 I 4.5095 7.6681 111.3228 60.1875 38.1530 177.0406 11 G 4.0007 8.2133 111.4180 45.8060 0.0000 173.2989 12 E 4.4190 8.2611 117.2118 53.9960 32.4104 175.1681 13 Y 3.7046 6.3456 122.0269 57.3333 39.2351 174.8674 14 K 4.0660 7.3751 126.6335 53.6044 32.9921 174.4668 15 P 4.4049 0.0000 0.0000 62.5043 31.9274 176.1740 16 R 4.7582 8.2478 119.0174 54.2166 33.3204 176.2697 17 E 4.1663 8.7690 119.7514 58.9307 29.7636 177.5536 18 S 4.7858 7.6305 110.0445 56.5840 66.2388 173.1420 19 I 4.5249 7.9866 121.2280 58.6191 40.5262 176.3738 20 S 4.2764 8.3324 120.2571 57.7231 64.9455 174.9685 21 K 3.7015 8.5081 123.7067 59.8697 31.8657 178.5140 22 E 3.8164 7.9976 118.8324 59.3087 29.5084 178.4810 23 Q 3.5150 7.9795 119.5544 58.7718 29.0371 178.1102 24 K 3.8634 7.9124 119.7213 59.6802 32.1029 179.0502 25 D 4.3702 8.2588 119.3358 57.1510 40.6243 178.7532 26 K 3.9358 7.9939 120.1747 59.3933 32.1117 178.9799 27 W 4.4971 8.3340 119.3869 59.7390 28.9332 178.6391 28 I 3.7206 8.1330 120.2726 64.2533 36.3312 178.3435 29 Q 4.0194 7.8572 117.3896 59.3444 28.7766 178.5008 30 V 3.7906 8.1186 120.4994 65.7763 31.1957 177.9687 31 L 4.0077 8.2053 118.8427 57.8118 41.1568 179.1794 32 E 4.0041 8.0622 118.4294 58.8773 29.9604 177.9960 33 E 4.2917 8.0461 117.1801 57.2990 29.7434 178.4410 34 V 3.5534 7.4115 118.8664 65.8191 31.4145 176.1362 35 P 4.1554 0.0000 0.0000 65.4350 31.1142 178.4169 36 A 3.9779 7.9417 119.1588 55.1405 18.4706 179.7043 37 K 3.9336 8.0292 116.8514 59.3014 31.8653 179.4177 38 L 3.9084 7.9871 120.1173 58.0654 42.2341 178.6562 39 K 4.0371 8.2178 118.6660 59.8772 31.5185 179.3033 40 Q 4.2794 8.6078 119.2454 58.3816 28.3488 178.7752 41 A 4.1520 7.7880 120.7529 54.0979 18.4323 178.5081 42 V 4.3020 7.0820 108.0256 61.0591 32.2919 176.2405 43 E 4.1711 8.0364 122.7343 59.1947 31.0001 178.3436 44 V 4.0463 7.4966 108.2736 61.7239 30.0009 179.6601 *46 T 4.0685 8.5920 121.8138 62.2077 70.9661 173.4331 47 D 4.3022 8.2917 120.5500 57.4295 40.5464 179.1936 48 S 4.1481 7.8581 113.6029 61.3847 63.3651 176.1724 49 Q 3.7573 7.6817 121.1282 58.6895 28.2980 178.7197 50 L 4.1330 8.1188 120.0280 57.2797 41.2822 178.2233 51 D 4.8997 7.6500 116.8084 54.4519 41.1846 175.8022 52 T 4.5370 7.8740 118.0476 61.8685 69.7680 172.7896 53 P 4.8441 0.0000 0.0000 63.2070 31.9911 176.9820 54 Y 4.4443 8.9454 122.2464 59.4207 38.7685 175.5291 55 R 4.3649 6.9295 112.3882 54.6670 32.4851 174.9187 56 D 4.2058 8.7025 117.9944 57.9127 40.9430 177.8286 57 G 3.7234 7.9249 103.8903 45.9727 0.0000 172.7712 58 G 3.6959 7.4361 107.4592 43.4604 0.0000 173.8591 59 W 5.1337 8.4420 119.2965 56.7770 30.4531 176.6087 60 T 4.5759 9.2385 113.1949 61.5402 69.6129 175.6196 61 V 3.6579 8.6010 122.0860 66.3755 31.4720 178.0832 62 R 3.8527 8.3084 118.4829 59.8604 29.8025 178.3828 63 Q 3.8872 8.0679 117.5330 58.8249 28.6386 179.0062 64 V 3.6039 8.0371 119.3188 65.9388 31.4234 178.0807 65 V 3.5064 7.7464 117.7942 66.6243 31.3865 177.8439 66 H 4.2650 7.9665 115.6104 58.9065 28.4715 177.3056 67 H 4.1756 8.4685 120.6366 59.2028 29.6440 177.3346 68 L 3.8990 8.0208 120.5861 57.5390 41.1959 179.2787 69 A 3.9816 7.4944 119.5762 55.3940 18.4483 179.1666 70 D 4.4944 7.9149 115.9567 57.5195 41.1770 178.6766 71 S 4.5865 8.4361 115.3707 60.9746 62.4669 175.4589 72 H 4.5527 8.3014 118.6851 56.3246 29.2709 177.3425 *74 N 4.4811 8.1678 119.6904 53.4231 40.7271 177.1519 75 S 3.8099 7.8645 112.2080 61.2616 62.3718 175.3412 76 Y 3.1339 7.2244 122.4864 60.5714 38.2850 178.2467 77 I 3.5281 7.5710 119.9395 64.5328 37.2514 178.4512 78 R 3.6143 7.8252 118.6935 58.9431 29.7031 179.1224 79 F 3.8096 8.3628 117.7918 60.5936 38.5216 177.9491 80 K 3.9374 7.7226 117.7360 59.1229 31.8528 179.4586 81 L 3.9784 8.0876 119.8233 58.0208 41.3218 179.8018 82 S 4.2119 7.7799 113.8009 61.3427 62.8087 176.2708 83 L 4.2449 7.8253 120.7299 56.2243 41.6041 177.5408 84 T 4.5472 7.2679 105.1964 61.0852 69.9034 173.6052 85 E 4.6725 7.8957 120.4080 54.5214 33.3866 175.2165 86 E 4.1177 8.8383 120.8536 56.8947 29.6716 177.6349 87 T 4.0266 8.7160 119.5279 62.9192 65.8384 170.5724 88 P 4.5897 0.0000 0.0000 62.3882 33.4214 177.0119 89 A 3.5952 8.3328 124.4726 51.6941 18.8675 177.4866 90 I 4.0305 8.0710 117.1852 59.7200 40.1176 175.3211 91 R 4.3480 8.0868 122.2185 53.7371 30.1171 173.8257 92 P 4.4982 0.0000 0.0000 62.6724 32.1696 175.4185 93 Y 4.8560 7.6193 116.8554 54.6066 41.1163 174.4458 94 D 4.6622 8.4745 120.6220 52.6204 40.2454 175.9768 95 E 3.9622 8.1460 126.0373 59.0336 29.8190 178.1390 96 K 4.3754 8.3080 118.4648 59.7227 32.2051 178.4560 97 A 4.1670 8.3570 119.7102 55.0560 18.5010 179.2324 98 W 4.3253 8.8774 117.6344 60.1927 28.9544 178.8278 99 S 4.0472 8.1645 113.6501 60.5514 62.2947 175.3760 100 E 4.2293 7.8014 119.8433 56.0621 30.3419 176.4800 101 L 4.0732 7.1896 119.5879 55.0474 42.5285 177.6783 102 K 3.7782 8.9140 123.2430 60.0622 31.8422 178.4462 103 D 4.2507 7.9746 117.3501 57.5915 40.9630 178.3345 104 S 3.9690 7.6926 113.9496 61.0443 62.8544 176.1372 105 K 4.2761 7.5732 119.9432 57.6334 32.1268 177.6467 106 T 4.4297 7.4924 106.2775 61.6868 70.8507 174.5447 107 A 4.0461 7.9066 124.5233 51.6362 18.8967 176.6581 108 D 4.4727 8.5402 121.1955 53.6417 41.9306 175.6216 109 P 4.2959 0.0000 0.0000 65.3892 31.1202 178.6830 110 S 4.1788 8.5361 115.0852 61.7787 62.6073 176.9573 111 G 3.6029 8.0250 109.0530 47.3606 0.0000 175.7140 112 S 4.1740 8.0123 116.9894 61.2162 62.9716 176.5193 113 L 3.9507 8.1985 121.8131 57.6957 41.3559 179.4387 114 A 4.0084 8.1380 120.8153 54.8307 18.2678 179.4647 115 L 3.8524 8.1277 119.0709 58.2781 42.1703 179.1867 116 L 4.0170 8.2303 119.3302 57.7356 41.6192 179.1307 117 Q 3.9556 8.0706 119.4468 59.5067 28.9990 178.5504 118 E 3.9914 8.1287 119.3795 59.0447 29.3785 179.0916 119 L 3.7294 8.2871 120.8696 58.5845 42.1367 178.8751 120 H 4.4678 8.9242 116.6641 58.6032 28.5328 178.1561 121 G 3.6142 8.1136 107.6165 48.0306 0.0000 176.1121 122 R 4.0460 8.1140 121.0327 58.3475 29.9424 179.1299 123 W 4.5409 8.5526 128.8834 60.8901 30.8221 178.3421 124 T 3.8370 8.4188 109.8340 64.4899 67.8846 176.3570 125 A 4.0103 7.8984 123.1337 54.8941 18.7598 178.8998 126 L 4.1031 8.1969 118.8457 58.5297 42.2266 179.2099 127 L 4.0326 8.1929 118.8387 57.9582 41.3462 179.7073 128 R 4.1861 8.1400 116.9923 58.6611 30.0650 178.3753 129 T 4.1935 7.7291 108.4032 62.3140 69.5890 175.1506 130 L 4.1563 7.1410 122.1326 54.5317 42.4813 177.5115 131 T 4.4086 8.2013 113.0941 61.0618 71.1335 175.5031 132 D 4.5813 8.6866 121.2825 57.9311 41.1459 178.9421 133 Q 4.2099 8.0992 117.9314 59.0827 28.9158 178.6089 134 Q 4.0641 8.1505 118.8315 58.8838 28.7338 178.6428 135 F 4.4005 8.5080 118.4995 59.6958 38.7099 176.8845 136 K 4.4146 7.7936 116.2699 56.3326 32.7080 177.2474 137 R 4.1733 7.2913 119.0090 56.6169 31.5251 176.1183 138 G 4.5283 8.3544 107.2421 45.3205 0.0000 170.6987 139 F 5.5142 8.3979 113.3162 55.5507 41.8259 173.0609 140 Y 5.7250 8.7968 117.1567 54.4997 41.5447 174.5875 141 H 4.6936 8.9643 118.7848 54.7397 29.4400 174.8955 142 P 4.6317 0.0000 0.0000 64.7988 31.5343 176.7220 143 D 4.7242 8.1518 117.5518 55.5265 40.5507 177.8343 144 T 4.0392 8.2466 115.8653 63.5443 68.7383 175.0884 145 K 4.1008 7.9889 120.9085 56.7555 31.6391 173.1634 146 E 4.4261 7.7703 117.9764 54.8573 31.0550 174.9143 147 I 4.6597 8.2721 127.6619 60.4815 38.5843 174.7895 148 I 4.4596 8.1278 127.7300 59.0789 40.4984 175.3168 149 T 4.6329 8.3415 118.8725 60.9567 70.0439 175.5635 150 L 3.9119 8.8241 123.4661 57.7803 41.5800 179.8044 151 E 4.2601 8.6051 117.9580 59.6676 29.5451 179.0512 152 N 4.6148 8.3547 116.8977 55.8971 38.5965 177.2561 153 A 4.2342 8.5868 122.8608 54.9161 18.4551 179.2853 154 L 4.0979 8.6745 119.2335 58.4179 42.1857 179.3486 155 G 2.0000 7.3606 106.2141 46.4411 0.0000 175.1880 156 L 3.0102 7.1953 123.1299 57.5968 42.0069 178.4151 157 Y 4.2353 8.0249 115.9861 59.7984 37.9697 178.1007 158 V 3.4841 7.5549 119.8284 65.5646 31.6166 177.6651 159 W 4.0880 8.0265 128.1681 60.8130 30.5468 177.2778 160 H 3.2587 8.7086 118.4401 59.0380 29.2686 177.1840 161 S 4.0457 8.1182 116.8183 62.2032 62.7009 176.4904 162 H 4.2022 7.9477 117.9914 58.0319 28.4846 177.3770 163 H 3.6833 7.9068 120.9607 59.5545 29.4359 177.0721 164 H 3.9114 7.5459 117.8215 58.5441 28.3819 177.9428 165 I 3.6370 7.7233 121.6103 64.2210 36.8743 178.2849 166 A 4.0155 7.9985 123.1919 54.7525 18.2636 179.0816 167 H 4.0300 7.7889 114.7695 59.2664 28.7490 178.0024 168 I 3.7983 7.4668 121.4605 64.7169 36.9168 178.6928 169 T 3.9616 8.1587 110.8898 64.8449 68.4703 176.3922 170 E 3.9418 8.6792 121.9467 58.8198 29.2273 178.8182 171 L 3.7871 7.5287 119.0836 58.3683 42.4339 178.7870 172 S 4.0113 7.9983 114.8485 61.5981 62.5778 176.8564 173 R 4.1367 7.6046 121.2259 58.9277 29.9282 178.8270 174 R 4.0290 7.7662 112.7270 57.3545 29.6725 177.5160 *176 G 3.9639 7.7284 106.0870 44.9538 0.0000 174.3001 177 W 4.5960 7.9306 120.8944 59.1316 29.4905 176.4904 178 S 4.2058 7.8982 116.9215 58.6409 61.9063 173.2233 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 5 N 8.28 4.78 0.00 2.98 3.11 0.00 0.00 5.77 5.79 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 6 L 8.69 3.87 0.00 1.72 1.77 0.94 0.55 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 7 S 8.96 4.42 0.00 4.03 4.04 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 8 Y 7.66 4.81 0.00 3.18 3.07 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 9 P 0.00 4.62 0.00 2.17 2.21 0.00 3.26 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 10 I 7.67 4.51 2.01 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 1.00 0.94 0.00 0.00 11 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.42 0.00 1.69 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 13 Y 6.35 3.70 0.00 2.29 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 14 K 7.38 4.07 0.00 1.47 1.50 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.21 7.81 15 P 0.00 4.40 0.00 1.99 2.04 0.00 3.39 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 16 R 8.25 4.76 0.00 1.93 1.80 0.00 3.58 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 17 E 8.77 4.17 0.00 1.93 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 2.30 2.34 0.00 18 S 7.63 4.79 0.00 3.90 3.77 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 19 I 7.99 4.52 1.89 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.76 0.00 0.00 20 S 8.33 4.28 0.00 3.96 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 21 K 8.51 3.70 0.00 1.84 1.81 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.54 7.81 22 E 8.00 3.82 0.00 2.00 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 2.30 0.00 23 Q 7.98 3.51 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 24 K 7.91 3.86 0.00 1.77 1.59 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.15 1.35 7.81 25 D 8.26 4.37 0.00 2.65 2.70 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 26 K 7.99 3.94 0.00 1.86 1.74 0.00 1.53 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.56 7.81 27 W 8.33 4.50 0.00 3.57 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 28 I 8.13 3.72 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.19 0.94 0.00 0.00 29 Q 7.86 4.02 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.93 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 30 V 8.12 3.79 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 1.14 0.00 0.00 1.10 0.00 0.00 31 L 8.21 4.01 0.00 1.88 1.51 -0.33 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.06 4.00 0.00 1.98 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 2.34 2.42 0.00 33 E 8.05 4.29 0.00 2.26 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 2.31 2.48 0.00 34 V 7.41 3.55 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 1.05 0.00 0.00 0.98 0.00 0.00 35 P 0.00 4.16 0.00 2.39 2.09 0.00 3.73 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 2.08 1.92 0.00 36 A 7.94 3.98 1.32 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 0.00 0.00 0.00 37 K 8.03 3.93 0.00 1.96 1.90 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.67 7.81 38 L 7.99 3.91 0.00 1.55 1.81 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.22 4.04 0.00 2.07 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 40 Q 8.61 4.28 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 41 A 7.79 4.15 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 42 V 7.08 4.30 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 0.72 0.00 0.00 0.98 0.00 0.00 43 E 8.04 4.17 0.00 2.27 1.96 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 2.30 2.29 0.00 44 V 7.50 4.05 2.05 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 0.79 0.00 0.00 0.93 0.00 0.00 *46 T 8.59 4.07 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 1.07 0.00 0.00 47 D 8.29 4.30 0.00 2.67 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 48 S 7.86 4.15 0.00 4.00 3.95 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 49 Q 7.68 3.76 0.00 1.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 50 L 8.12 4.13 0.00 1.81 1.72 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.65 4.90 0.00 2.77 2.70 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 52 T 7.87 4.54 4.74 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 1.40 0.00 0.00 53 P 0.00 4.84 0.00 2.04 2.12 0.00 3.65 0.00 0.00 4.09 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0.00 2.93 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 71 S 8.44 4.59 0.00 3.92 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 72 H 8.30 4.55 0.00 3.38 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 N 8.17 4.48 0.00 2.78 2.78 0.00 0.00 6.64 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 75 S 7.86 3.81 0.00 2.95 3.07 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 76 Y 7.22 3.13 0.00 1.98 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 77 I 7.57 3.53 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.59 0.82 0.00 0.00 78 R 7.83 3.61 0.00 1.68 1.04 0.00 2.97 0.00 0.00 2.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.60 0.00 79 F 8.36 3.81 0.00 3.03 3.02 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 0.00 1.31 0.00 0.00 130 L 7.14 4.16 0.00 1.48 1.36 0.38 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.20 4.41 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 132 D 8.69 4.58 0.00 2.73 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 0.00 133 Q 8.10 4.21 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 134 Q 8.15 4.06 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 135 F 8.51 4.40 0.00 3.42 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 0.00 136 K 7.79 4.41 0.00 1.97 1.90 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.57 7.81 137 R 7.29 4.17 0.00 1.93 1.87 0.00 3.08 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 138 G 8.35 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 5.51 0.00 3.13 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 0.00 140 Y 8.80 5.72 0.00 3.15 3.03 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 0.00 141 H 8.96 4.69 0.00 3.35 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.63 0.00 2.21 2.16 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 143 D 8.15 4.72 0.00 2.82 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 0.00 144 T 8.25 4.04 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 1.27 0.00 0.00 145 K 7.99 4.10 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 146 E 7.77 4.43 0.00 2.05 1.78 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 2.23 2.26 0.00 147 I 8.27 4.66 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.87 0.00 0.00 148 I 8.13 4.46 1.66 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.43 -0.10 0.00 0.00 149 T 8.34 4.63 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 150 L 8.82 3.91 0.00 1.96 1.79 0.89 0.62 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 0.00 151 E 8.61 4.26 0.00 2.27 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 2.58 2.48 0.00 152 N 8.35 4.61 0.00 2.94 3.05 0.00 0.00 6.88 8.92 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 0.00 153 A 8.59 4.23 1.70 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 0.00 0.00 154 L 8.67 4.10 0.00 2.18 2.18 0.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 155 G 7.36 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.20 3.01 0.00 1.17 1.64 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.02 4.24 0.00 3.24 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 0.00 158 V 7.55 3.48 1.58 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 0.98 0.00 0.00 0.73 0.00 0.00 159 W 8.03 4.09 0.00 3.49 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 0.00 160 H 8.71 3.26 0.00 3.25 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.12 4.05 0.00 4.03 3.79 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 0.00 162 H 7.95 4.20 0.00 3.15 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 7.91 3.68 0.00 1.73 2.30 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 7.55 3.91 0.00 3.03 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 I 7.72 3.64 1.78 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 1.39 0.68 0.90 0.00 0.00 166 A 8.00 4.02 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 0.00 167 H 7.79 4.03 0.00 3.08 2.84 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.47 3.80 2.03 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 1.62 1.06 0.98 0.00 0.00 169 T 8.16 3.96 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 1.27 0.00 0.00 170 E 8.68 3.94 0.00 2.07 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 2.41 2.46 0.00 171 L 7.53 3.79 0.00 1.77 1.92 0.81 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.00 4.01 0.00 4.15 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 0.00 173 R 7.60 4.14 0.00 1.88 2.10 0.00 3.10 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 174 R 7.77 4.03 0.00 1.77 1.82 0.00 3.20 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 *176 G 7.73 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 W 7.93 4.60 0.00 3.38 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.90 4.21 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.