NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.3198 8.3449 121.7131 55.5284 31.0293 176.0014 6 D 4.2616 8.2232 116.9547 56.7792 40.8728 175.3582 7 C 4.7320 7.6028 118.3600 53.2790 46.2323 170.1176 8 P 4.4109 0.0000 0.0000 62.8121 31.7825 175.3293 9 E 4.2007 8.8449 124.5180 56.1621 30.3444 176.4662 10 C 4.2153 8.1374 126.5015 58.2303 41.8784 172.9101 11 T 4.5941 8.7115 121.6659 62.7955 73.1268 172.5310 12 L 5.5193 8.3192 121.2690 54.2221 43.1132 176.7775 13 Q 4.6464 8.2640 119.1962 54.1238 33.6243 173.9740 14 E 4.3044 8.7775 122.2427 56.5415 30.5018 176.2468 15 N 4.5625 9.0072 124.3574 51.6036 38.9877 173.4468 16 P 4.2191 0.0000 0.0000 65.9316 31.2272 178.8487 17 F 4.4218 7.5769 115.9095 59.3554 38.8269 175.6712 18 F 4.9380 7.6012 115.9347 56.8082 40.8457 175.4270 19 S 4.4707 8.3381 116.2007 58.4805 62.8414 172.6023 20 Q 4.8386 8.2442 121.5962 53.3820 33.0056 173.0731 21 P 4.0492 0.0000 0.0000 64.3960 31.8017 178.2232 22 G 4.0865 9.0619 113.8851 45.8305 0.0000 173.0965 23 A 4.6149 8.1559 123.2279 49.3345 19.4126 174.9632 24 P 5.1278 0.0000 0.0000 63.8047 32.4625 176.9255 25 I 4.7253 7.6549 116.0953 62.0561 40.1108 174.9405 26 L 4.8420 8.7810 129.3483 54.7947 42.8937 176.2915 27 Q 4.4742 8.7038 120.9387 54.9218 32.9521 172.8250 28 C 5.4001 8.9872 122.9366 56.6943 42.4275 172.8248 29 M 4.5020 8.1212 117.9292 54.4490 34.4052 175.8591 30 G 4.0070 7.8267 106.6504 45.7210 0.0000 172.3191 31 C 5.0379 8.1777 117.1815 55.6699 42.7233 172.3532 32 C 5.0353 8.1183 117.3413 55.2596 43.9435 174.1378 33 F 4.2338 8.6653 124.7002 58.6922 39.6499 173.9570 34 S 4.7932 6.1428 119.4597 57.7296 65.5484 172.5983 35 R 4.4457 7.7695 115.7667 55.8233 32.8675 173.1438 36 A 4.9923 8.4727 120.3485 50.6552 22.3002 174.8515 37 Y 4.9130 8.1113 118.2458 54.7717 42.1947 172.4423 38 P 4.6919 0.0000 0.0000 63.0342 32.0671 176.6475 39 T 4.1794 8.2669 121.2155 63.0399 68.4836 173.0333 40 P 4.4946 0.0000 0.0000 62.0832 32.7205 177.3559 41 L 3.8003 8.5634 120.8592 58.6533 42.0511 178.8051 42 R 3.9218 8.1702 118.3897 59.4802 29.7926 177.8819 43 S 4.4246 7.6667 113.1094 60.4394 63.4863 176.0293 44 K 4.1139 7.7360 121.0916 57.9999 31.8880 178.0755 45 K 4.1781 7.7681 118.7666 59.8254 32.7301 178.1419 46 T 4.1462 7.3903 113.1067 64.8345 69.4053 174.8956 47 M 4.3471 7.4861 121.3104 53.6041 30.6934 175.2151 48 L 4.0913 8.1847 123.4835 56.7600 42.7200 178.7923 49 V 4.1582 7.3670 113.3227 58.7510 30.1692 175.0154 50 Q 3.8925 7.7712 116.6466 56.6209 28.9868 178.0083 51 K 4.6059 8.3647 120.7714 54.4959 35.5952 176.1600 52 N 4.5967 8.8367 120.9203 55.2289 39.6368 174.8328 53 V 4.8015 7.7525 116.5470 61.2021 35.2496 174.7780 54 T 4.7732 8.4705 119.9516 61.6182 72.5514 173.2275 55 S 4.7194 8.5025 119.1373 56.6233 64.5886 174.2871 56 E 4.6892 8.8875 124.1607 54.2687 28.6246 175.2700 57 S 4.3039 8.1428 116.9454 59.2003 64.3557 175.5439 58 T 4.9780 8.2339 114.0905 64.3574 70.5446 171.8867 59 C 4.6309 8.1285 121.2316 54.3623 44.4035 173.4007 60 C 4.7009 8.5223 120.3480 56.6003 38.1433 173.0065 61 V 4.8020 8.6049 118.0739 59.3365 36.2461 174.3805 62 A 4.4248 8.6005 125.1943 52.4354 18.2950 177.5690 63 K 4.4404 9.1402 123.2988 57.9350 33.2784 176.7508 64 S 4.6674 7.8329 111.7182 57.9452 65.5322 174.0308 65 Y 5.2432 7.6621 118.6057 56.5659 40.4682 174.2648 66 N 4.4151 8.7455 117.2356 55.6360 39.6150 173.2235 67 R 4.5275 8.4252 125.0393 57.2808 27.7015 175.1269 68 V 4.4138 7.8215 117.2503 59.6673 34.4496 174.8194 69 T 4.9798 8.1391 116.9516 62.3349 70.3090 174.6717 70 V 4.4331 8.5071 117.2042 60.4094 35.5715 177.5738 71 M 2.6827 7.4461 114.8892 55.4889 34.9149 177.2469 72 G 3.1129 7.6300 111.1031 46.7035 0.0000 173.9985 73 G 3.7632 8.2814 108.3292 44.9712 0.0000 173.0530 74 F 5.0189 6.5435 114.5115 55.1331 41.4307 174.1954 75 K 5.6507 8.6660 117.5921 54.0782 34.1512 176.5023 76 V 4.3327 8.3518 116.9831 59.3273 35.4980 174.2575 77 E 4.5188 8.3440 121.5098 55.9605 30.0811 176.7850 78 N 4.8249 8.8014 123.4598 51.2673 38.9436 172.3498 79 H 4.7404 8.5718 119.4816 56.6131 29.2226 174.7031 80 T 4.7517 8.9753 109.7782 61.4183 70.6652 173.6332 81 A 4.8040 7.7814 122.5224 51.0403 22.7086 175.5789 82 C 5.5787 8.4078 116.3304 55.8882 43.7740 172.8076 83 H 4.6578 8.4567 112.9698 55.3118 31.8941 172.9601 84 C 4.7708 8.9603 117.9542 56.6976 34.8737 172.3497 85 S 4.8792 8.0861 124.3558 57.2455 65.5894 173.0500 86 T 4.2204 8.5786 108.2641 61.8352 69.9173 176.0880 87 C 4.2838 8.6912 121.6005 56.3290 39.4534 172.3056 88 Y 4.4622 7.8912 122.7852 54.9408 39.4597 175.7551 89 Y 3.8947 8.1064 123.6887 57.8179 39.4553 175.8688 *90 H 4.5260 8.4324 116.3635 55.0048 28.7614 172.2644 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 Q 8.34 4.32 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 6 D 8.22 4.26 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.60 4.73 0.00 2.86 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 8 P 0.00 4.41 0.00 2.15 2.20 0.00 3.76 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 2.08 1.99 0.00 9 E 8.84 4.20 0.00 2.02 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 2.31 2.34 0.00 10 C 8.14 4.22 0.00 3.12 3.11 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 0.00 0.00 0.00 11 T 8.71 4.59 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 12 L 8.32 5.52 0.00 1.52 1.61 0.95 0.99 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 13 Q 8.26 4.65 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 14 E 8.78 4.30 0.00 1.84 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 0.00 2.32 2.31 0.00 15 N 9.01 4.56 0.00 2.82 2.92 0.00 0.00 6.59 7.30 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 16 P 0.00 4.22 0.00 2.16 2.21 0.00 3.44 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.63 0.00 17 F 7.58 4.42 0.00 2.73 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 18 F 7.60 4.94 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.34 4.47 0.00 4.07 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 20 Q 8.24 4.84 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.44 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 21 P 0.00 4.05 0.00 2.18 2.03 0.00 3.72 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 2.13 2.14 0.00 22 G 9.06 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 0.00 0.00 0.00 0.00 23 A 8.16 4.61 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 24 P 0.00 5.13 0.00 2.07 2.18 0.00 3.79 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 25 I 7.65 4.73 1.92 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 1.75 1.05 0.00 0.00 26 L 8.78 4.84 0.00 1.86 1.60 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.70 4.47 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 28 C 8.99 5.40 0.00 2.96 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 29 M 8.12 4.50 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 30 G 7.83 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 0.00 0.00 0.00 31 C 8.18 5.04 0.00 3.04 2.98 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 32 C 8.12 5.04 0.00 3.00 2.98 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 33 F 8.67 4.23 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 34 S 6.14 4.79 0.00 3.77 3.46 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 0.00 35 R 7.77 4.45 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.55 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 36 A 8.47 4.99 1.09 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 0.00 0.00 37 Y 8.11 4.91 0.00 3.04 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 38 P 0.00 4.69 0.00 2.04 2.09 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 39 T 8.27 4.18 4.28 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 1.26 0.00 0.00 40 P 0.00 4.49 0.00 2.21 1.98 0.00 3.72 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 41 L 8.56 3.80 0.00 1.76 1.66 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.17 3.92 0.00 1.92 1.96 0.00 3.23 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 43 S 7.67 4.42 0.00 4.01 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 44 K 7.74 4.11 0.00 1.94 2.04 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 45 K 7.77 4.18 0.00 1.87 1.99 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.58 7.81 46 T 7.39 4.15 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 47 M 7.49 4.35 0.00 2.12 2.25 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 2.58 2.68 0.00 48 L 8.18 4.09 0.00 1.68 1.73 0.93 0.98 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 49 V 7.37 4.16 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 0.75 0.00 0.00 0.94 0.00 0.00 50 Q 7.77 3.89 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 51 K 8.36 4.61 0.00 1.69 1.71 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.48 7.81 52 N 8.84 4.60 0.00 2.65 2.87 0.00 0.00 6.53 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.75 4.80 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 0.80 0.00 0.00 0.92 0.00 0.00 54 T 8.47 4.77 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 0.96 0.00 0.00 55 S 8.50 4.72 0.00 3.72 3.69 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 56 E 8.89 4.69 0.00 1.98 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 2.30 2.20 0.00 57 S 8.14 4.30 0.00 3.85 3.86 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 58 T 8.23 4.98 4.51 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 1.28 0.00 0.00 59 C 8.13 4.63 0.00 2.91 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 60 C 8.52 4.70 0.00 3.00 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 61 V 8.60 4.80 2.26 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 0.85 0.00 0.00 0.92 0.00 0.00 62 A 8.60 4.42 0.95 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 0.00 0.00 63 K 9.14 4.44 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.31 7.81 64 S 7.83 4.67 0.00 3.78 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 65 Y 7.66 5.24 0.00 3.00 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 66 N 8.75 4.42 0.00 2.71 2.93 0.00 0.00 7.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.43 4.53 0.00 2.17 2.18 0.00 3.10 0.00 0.00 3.94 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 68 V 7.82 4.41 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 0.97 0.00 0.00 69 T 8.14 4.98 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 1.23 0.00 0.00 70 V 8.51 4.43 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 0.81 0.00 0.00 1.30 0.00 0.00 71 M 7.45 2.68 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 72 G 7.63 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.28 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 6.54 5.02 0.00 3.10 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 75 K 8.67 5.65 0.00 1.68 1.90 0.00 1.79 0.00 0.00 2.41 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.35 7.81 76 V 8.35 4.33 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 0.27 0.00 0.00 0.84 0.00 0.00 77 E 8.34 4.52 0.00 1.67 1.67 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 1.90 2.08 0.00 78 N 8.80 4.82 0.00 2.85 2.74 0.00 0.00 7.20 7.89 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 79 H 8.57 4.74 0.00 3.19 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.98 4.75 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 1.25 0.00 0.00 81 A 7.78 4.80 1.23 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 82 C 8.41 5.58 0.00 2.84 2.98 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 83 H 8.46 4.66 0.00 3.18 3.32 0.00 5.25 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.96 4.77 0.00 2.92 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.09 4.88 0.00 3.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.58 4.22 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 1.23 0.00 0.00 87 C 8.69 4.28 0.00 2.73 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 88 Y 7.89 4.46 0.00 3.04 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 89 Y 8.11 3.89 0.00 2.93 2.90 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 *90 H 8.43 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.