NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.5941 8.2548 109.1227 45.4833 0.0000 175.0482 17 I 3.8174 7.3677 119.9238 63.2376 37.5759 175.3013 18 T 3.9484 7.8789 116.8336 62.9494 70.0613 174.3067 19 G 3.4829 7.3137 113.6613 45.1678 0.0000 170.8495 20 T 4.7015 7.4997 117.5250 61.5394 70.3363 174.4053 21 W 4.6672 8.5028 125.4623 54.8155 33.0994 173.9774 22 Y 5.4316 9.3547 120.5643 56.4357 41.0799 175.1820 23 N 5.5341 8.8462 120.9608 51.3561 39.6442 174.7651 24 Q 4.2211 8.7458 115.3333 57.7662 29.1782 176.4005 25 L 4.4920 8.1339 118.2386 54.7338 41.8565 176.6472 26 G 4.4807 9.0329 114.2534 46.5625 0.0000 174.3348 27 S 4.2395 7.5225 115.8623 56.0619 64.0729 173.5965 28 T 5.1712 9.1861 120.4746 61.7209 72.4867 172.9977 29 F 5.1033 8.7107 119.4771 55.2076 41.9037 173.3473 30 I 4.6300 8.2802 122.9409 59.8645 39.0114 175.0958 31 V 4.8732 8.5318 120.1614 59.6820 35.7742 174.8178 32 T 4.8386 8.8164 119.2677 61.7269 71.5497 172.9873 33 A 4.7386 8.6017 129.1254 50.0448 19.4227 177.1909 34 G 3.7990 9.0508 111.5200 45.5997 0.0000 173.9543 35 A 4.1025 8.5517 122.5163 54.1325 18.8003 177.9659 36 D 4.7026 7.5030 113.6990 53.5569 40.7214 177.0937 37 G 3.3628 7.7490 105.3777 45.8372 0.0000 172.2303 38 A 4.5346 7.5444 121.1825 51.5018 19.9445 176.7364 39 L 5.2334 8.8985 123.1488 53.4480 44.9753 175.4572 40 T 4.9187 8.6839 115.6380 60.1526 72.6252 174.2680 41 G 3.7556 7.6325 109.1694 46.2246 0.0000 171.7449 42 T 5.1286 7.6360 108.8295 60.1000 72.8413 172.3250 43 Y 4.9257 9.3441 124.5784 55.9787 41.4414 174.0514 44 E 5.6646 8.9190 126.2181 54.0016 33.3449 175.4916 45 S 4.5903 8.4089 119.1001 59.4785 65.3725 174.6811 *49 N 4.4165 7.9732 115.1494 52.0265 38.4423 174.8357 50 A 3.9534 8.4772 122.9192 55.4701 18.4227 179.1009 51 E 4.1321 7.8016 110.3391 57.5502 30.3095 177.0016 52 S 4.8759 8.4335 116.1269 58.3962 64.6652 172.8262 53 R 5.1193 7.5740 120.3371 55.0710 31.4015 175.1193 54 Y 4.9752 9.5112 122.8015 56.0830 42.6735 174.7715 55 V 4.3960 8.5496 121.8223 62.6954 32.7939 175.0970 56 L 5.1226 8.8341 126.6969 54.4346 44.0198 175.1153 57 T 4.9814 8.5924 113.7674 61.3548 71.5695 173.0286 58 G 4.5014 8.8741 113.1415 46.0474 0.0000 171.6743 59 R 5.6462 8.7363 116.8783 54.8055 34.6844 174.2757 60 Y 5.2772 8.6484 118.8872 55.1860 41.9835 174.4625 61 D 4.4416 8.9718 120.3174 53.7796 41.6230 176.3293 62 S 4.4482 8.2941 119.7436 58.5857 63.6938 175.1996 63 A 4.6870 8.4782 123.6186 50.7475 19.3615 174.0395 64 P 4.7680 0.0000 0.0000 60.8176 32.6488 176.6048 65 A 4.2710 8.3506 122.4140 52.7511 18.8357 177.3241 66 T 4.5741 8.1986 106.3135 61.5301 69.5034 175.1426 67 D 4.5487 8.0678 120.0480 54.4937 39.3005 176.8844 68 G 3.9308 7.9675 108.1409 45.7563 0.0000 174.1871 69 S 4.3578 8.2887 115.7213 57.8731 63.4372 174.0753 70 G 4.0107 8.3060 109.9172 46.1939 0.0000 172.9338 71 T 4.7958 8.6730 116.4169 61.6466 70.1762 174.8117 72 A 4.9031 8.6883 129.3981 52.0929 20.1030 175.9150 73 L 4.9505 8.8133 120.6772 55.4448 44.9300 174.1744 74 G 4.5539 9.0490 103.9259 45.5587 0.0000 172.4834 75 W 5.8136 8.4317 118.0450 55.5579 32.4465 173.3810 76 T 5.2855 9.0653 116.4697 61.8228 72.1936 173.3603 77 V 4.4523 8.8997 124.3493 60.9431 34.5501 173.8662 78 A 4.5147 8.2753 129.6746 49.7219 20.0534 178.1539 79 W 4.0769 8.2394 126.2844 55.3430 27.7584 175.7283 80 K 5.1600 7.8023 118.5485 54.5944 35.0097 174.5887 81 N 5.1513 9.0649 123.1986 51.3925 40.0498 174.2576 82 N 3.9956 8.6727 114.1056 55.9368 38.4859 175.2056 83 Y 4.7369 8.1308 113.8137 57.6604 40.3418 175.3218 84 R 4.5622 7.6353 114.4053 55.5106 32.4022 173.5743 85 N 5.1332 8.5343 116.6463 52.5408 40.9330 173.6688 86 A 4.3667 9.0921 128.4811 51.6417 19.9660 176.1424 87 H 4.1703 8.9406 113.9167 56.1443 26.9651 173.6574 88 S 5.1996 7.4826 111.0754 57.6632 67.0528 174.0900 89 A 5.0187 8.9902 121.4439 50.8459 22.7702 175.2369 90 T 5.0334 9.1546 118.5407 61.7029 71.9537 173.2966 91 T 5.0172 8.2669 115.3095 59.6364 71.8335 172.8188 92 W 5.0399 8.9911 124.8213 54.7839 32.3781 174.5703 93 S 4.7980 8.8161 118.7396 56.9210 64.9387 173.0925 94 G 4.1911 8.3685 113.2245 46.6360 0.0000 171.6423 95 Q 5.3124 8.5513 117.6248 54.8875 32.7968 173.4008 96 Y 4.8384 8.9477 123.2206 56.8656 40.6029 174.1758 97 V 4.1736 8.6053 127.5108 60.9662 33.6117 175.3748 98 G 3.6496 7.6654 116.4225 44.8133 0.0000 169.7566 99 G 3.9854 8.6460 103.9187 44.4943 0.0000 174.2563 100 A 4.0896 8.8164 122.5832 54.8657 19.3550 178.5625 101 E 4.3616 7.7739 116.7789 53.9860 28.1642 175.0384 102 A 4.4275 7.7238 121.4376 53.0750 19.5878 178.1818 103 R 5.2479 9.5042 119.6888 54.8840 35.6808 174.2055 104 I 4.9113 8.7596 122.5785 59.8565 39.7206 174.2937 105 N 5.4531 9.3322 126.1682 52.1634 40.4206 174.6157 106 T 5.3472 9.1701 112.8938 60.1920 73.1498 172.5807 107 Q 5.1661 9.3741 121.1072 53.8866 32.3160 174.8364 108 W 5.3795 8.6086 118.6597 54.6434 32.3533 173.8375 109 L 5.2771 8.5778 120.1374 52.8669 44.9726 175.2784 110 L 5.1586 9.0904 125.0799 53.6436 44.9608 174.9243 111 T 5.0537 8.7054 123.0522 61.9815 71.1540 173.5345 112 S 5.1687 8.4894 122.3653 56.7324 64.7222 174.4742 113 G 3.9189 8.4807 112.0770 46.5506 0.0000 173.0522 114 T 4.7898 8.1716 113.2369 59.7501 72.2746 173.5174 115 T 4.2412 8.1121 112.0806 60.9919 70.1003 175.3148 116 E 3.9572 8.8998 121.6237 59.8041 29.1554 179.4586 117 A 4.1496 8.1061 119.1081 54.6182 18.6218 178.2242 118 N 4.6980 7.9715 112.3541 53.1803 38.9965 176.7195 119 A 3.9882 7.9396 125.2216 54.8181 18.2019 180.0133 120 W 4.2959 8.3626 113.6309 58.6191 28.1554 176.6963 121 K 4.1458 6.5446 117.5642 56.1474 32.1830 177.2307 122 S 4.2303 7.9416 116.0842 60.5835 63.6434 173.3101 123 T 5.0190 7.5786 117.1540 61.7708 71.0316 173.5182 124 L 4.7012 8.8793 127.1374 53.5974 43.8468 176.2103 125 V 4.2497 7.7072 120.1914 60.3842 34.6726 175.4595 126 G 3.3633 6.1689 107.2641 46.0074 0.0000 171.5039 127 H 5.4955 8.3239 114.1801 54.3055 32.0636 172.2696 128 D 4.9754 9.1380 117.5101 53.2351 45.1740 173.9382 129 T 5.2384 8.4289 119.8356 61.8339 71.8555 173.1908 130 F 5.5006 9.3760 124.6120 56.0204 42.5533 174.5114 131 T 5.4479 9.3686 112.0116 60.1487 72.2683 174.5918 132 K 3.8419 8.7827 119.4147 56.9960 32.7005 177.7439 133 V 4.0010 7.6587 116.7833 61.3491 32.0050 175.3010 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 16 G 8.25 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 3.82 1.40 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.61 0.00 0.00 18 T 7.88 3.95 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 1.14 0.00 0.00 19 G 7.31 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.70 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 0.54 0.00 0.00 21 W 8.50 4.67 0.00 1.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.35 5.43 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 5.53 0.00 2.53 2.62 0.00 0.00 6.99 6.78 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 24 Q 8.75 4.22 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.31 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.13 4.49 0.00 1.94 1.78 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.03 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.24 0.00 4.38 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 28 T 9.19 5.17 4.21 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 0.00 0.00 0.94 0.00 0.00 29 F 8.71 5.10 0.00 2.89 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 30 I 8.28 4.63 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.84 0.00 0.00 31 V 8.53 4.87 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 0.60 0.00 0.00 0.93 0.00 0.00 32 T 8.82 4.84 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 1.18 0.00 0.00 33 A 8.60 4.74 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.05 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 35 A 8.55 4.10 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 36 D 7.50 4.70 0.00 2.78 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 37 G 7.75 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 38 A 7.54 4.53 1.30 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 0.00 0.00 0.00 39 L 8.90 5.23 0.00 1.89 1.55 0.77 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.68 4.92 4.22 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 1.21 0.00 0.00 41 G 7.63 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 42 T 7.64 5.13 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 1.22 0.00 0.00 43 Y 9.34 4.93 0.00 2.96 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 44 E 8.92 5.66 0.00 2.00 1.71 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 2.25 2.28 0.00 45 S 8.41 4.59 0.00 3.85 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 N 7.97 4.42 0.00 2.96 2.96 0.00 0.00 6.14 7.79 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 50 A 8.48 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.80 4.13 0.00 2.01 1.77 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 2.15 2.14 0.00 52 S 8.43 4.88 0.00 4.20 4.02 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 53 R 7.57 5.12 0.00 1.81 1.88 0.00 3.22 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 54 Y 9.51 4.98 0.00 2.86 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 55 V 8.55 4.40 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.83 5.12 0.00 1.81 1.60 0.56 0.20 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 57 T 8.59 4.98 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 1.23 0.00 0.00 58 G 8.87 4.50 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 0.00 0.00 0.00 59 R 8.74 5.65 0.00 1.77 1.78 0.00 3.27 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 60 Y 8.65 5.28 0.00 3.08 2.88 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 61 D 8.97 4.44 0.00 2.80 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 62 S 8.29 4.45 0.00 3.92 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 63 A 8.48 4.69 1.21 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 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.77 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.35 4.27 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 66 T 8.20 4.57 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 1.24 0.00 0.00 67 D 8.07 4.55 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.97 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 69 S 8.29 4.36 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 71 T 8.67 4.80 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 72 A 8.69 4.90 1.30 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 0.00 0.00 0.00 73 L 8.81 4.95 0.00 1.97 1.97 1.24 0.54 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 74 G 9.05 4.55 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 75 W 8.43 5.81 0.00 3.43 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 76 T 9.07 5.29 4.27 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 0.00 0.00 1.17 0.00 0.00 77 V 8.90 4.45 1.64 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 -0.86 0.00 0.00 0.69 0.00 0.00 78 A 8.28 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.24 4.08 0.00 3.34 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 80 K 7.80 5.16 0.00 1.91 1.71 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.44 7.81 81 N 9.06 5.15 0.00 2.85 2.73 0.00 0.00 6.61 7.81 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 82 N 8.67 4.00 0.00 1.44 2.39 0.00 0.00 6.57 7.46 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 83 Y 8.13 4.74 0.00 2.90 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 84 R 7.64 4.56 0.00 1.94 2.07 0.00 3.13 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 85 N 8.53 5.13 0.00 2.65 2.61 0.00 0.00 6.91 7.96 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 86 A 9.09 4.37 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 87 H 8.94 4.17 0.00 3.30 3.33 0.00 5.64 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 88 S 7.48 5.20 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 89 A 8.99 5.02 1.17 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 0.00 0.00 90 T 9.15 5.03 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 -0.56 0.00 0.00 91 T 8.27 5.02 4.17 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 1.16 0.00 0.00 92 W 8.99 5.04 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.82 4.80 0.00 3.80 3.64 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 94 G 8.37 4.19 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 0.00 0.00 0.00 95 Q 8.55 5.31 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 8.95 4.84 0.00 3.07 2.93 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 97 V 8.61 4.17 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 0.77 0.00 0.00 0.90 0.00 0.00 98 G 7.67 3.65 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 0.00 0.00 0.00 99 G 8.65 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 0.00 100 A 8.82 4.09 1.30 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 0.00 0.00 0.00 101 E 7.77 4.36 0.00 1.94 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 2.43 0.00 102 A 7.72 4.43 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 0.00 103 R 9.50 5.25 0.00 1.75 1.90 0.00 3.15 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 104 I 8.76 4.91 1.85 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.13 1.14 0.00 0.00 105 N 9.33 5.45 0.00 2.69 2.81 0.00 0.00 6.06 6.65 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 0.00 106 T 9.17 5.35 4.47 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 1.48 0.00 0.00 107 Q 9.37 5.17 0.00 1.90 1.87 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 2.24 2.25 0.00 108 W 8.61 5.38 0.00 2.69 2.41 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 0.00 109 L 8.58 5.28 0.00 1.54 1.52 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.09 5.16 0.00 1.69 1.71 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.71 5.05 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 1.19 0.00 0.00 112 S 8.49 5.17 0.00 3.72 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 0.00 113 G 8.48 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 0.00 0.00 0.00 114 T 8.17 4.79 4.17 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 1.20 0.00 0.00 115 T 8.11 4.24 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 1.21 0.00 0.00 116 E 8.90 3.96 0.00 2.05 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 2.42 2.40 0.00 117 A 8.11 4.15 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 0.00 118 N 7.97 4.70 0.00 2.70 2.68 0.00 0.00 6.80 7.14 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 0.00 119 A 7.94 3.99 1.41 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 0.00 0.00 120 W 8.36 4.30 0.00 3.53 3.24 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 0.00 121 K 6.54 4.15 0.00 1.02 0.74 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.47 0.75 7.81 122 S 7.94 4.23 0.00 4.12 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 0.00 123 T 7.58 5.02 4.21 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 0.00 0.00 1.18 0.00 0.00 124 L 8.88 4.70 0.00 1.79 1.68 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.71 4.25 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 0.52 0.00 0.00 0.64 0.00 0.00 126 G 6.17 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 0.00 127 H 8.32 5.50 0.00 3.21 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.14 4.98 0.00 3.17 2.57 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 0.00 0.00 0.00 0.00 129 T 8.43 5.24 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 1.36 0.00 0.00 130 F 9.38 5.50 0.00 3.03 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 0.00 131 T 9.37 5.45 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 1.43 0.00 0.00 132 K 8.78 3.84 0.00 1.48 1.58 0.00 1.29 0.00 0.00 1.08 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.66 4.00 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 0.66 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.