NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2926 8.0244 121.4514 61.4032 38.3317 174.8555 3 V 3.7468 8.6831 126.7127 64.6922 32.3571 174.4978 4 G 4.7105 7.6803 104.1781 46.1126 0.0000 171.7581 5 L 5.3489 8.2916 122.8892 53.0602 45.8029 175.3474 6 G 4.4229 9.1830 112.0828 44.9885 0.0000 171.1819 7 T 5.2539 8.2833 115.5289 60.5861 71.1479 172.2459 8 D 4.7951 8.8688 124.2578 53.0481 45.2281 173.6525 9 I 5.1306 8.4379 123.7551 59.1884 41.0824 174.1888 10 A 4.9241 9.4988 129.8456 50.1036 22.4365 174.7252 11 E 4.5382 8.8600 122.7066 55.3272 30.5660 177.2325 12 I 3.7737 8.6210 128.6321 64.5107 37.0910 178.0538 13 E 4.1538 7.9783 120.9351 58.7574 29.3935 178.9667 14 R 3.8325 7.6321 117.0093 59.0782 30.0948 179.1931 15 V 3.5523 7.6334 117.6136 65.9292 31.6241 177.7447 16 E 4.0162 8.3569 118.4499 59.4403 28.9718 179.5278 17 K 4.0228 8.3177 118.4959 59.3490 32.0072 179.2970 18 A 3.7303 7.8178 121.0675 54.9719 18.1234 179.7017 19 L 4.0688 8.0810 117.3310 57.9369 41.5162 179.6029 20 A 4.0509 7.9657 119.5363 54.3778 18.2665 179.3173 21 R 4.2339 7.3124 115.4549 58.2369 31.1696 178.1885 22 S 4.7127 8.3900 112.3552 56.1608 64.8412 176.1239 23 G 3.9744 8.8154 111.5286 45.8535 0.0000 175.8850 24 E 4.0077 9.0747 124.1797 59.1784 28.9090 177.6868 25 N 4.4202 7.8724 115.4766 56.1082 38.8188 176.9426 26 F 4.4204 8.2041 121.2728 61.3569 39.6935 176.8400 27 A 3.4097 8.0325 120.4568 55.1375 17.8396 179.5693 28 R 3.8017 8.1375 116.0755 58.9611 30.1614 178.3578 29 R 4.0093 7.4561 117.9094 59.1722 30.1208 177.8682 30 I 3.5709 7.2404 118.0494 61.7085 37.8878 175.9256 31 L 4.8303 7.1822 118.8338 52.9596 43.5083 177.0687 32 T 4.0414 8.8327 113.8174 61.2626 70.7405 175.5276 33 D 4.3560 8.4081 121.0107 57.5553 40.7084 178.7794 34 S 4.2659 7.9576 113.2484 61.3794 62.5614 175.8919 35 E 4.1213 8.0759 121.4236 59.2832 29.1211 179.2581 36 L 3.9732 7.9084 119.2457 57.4632 41.3288 179.0607 37 E 3.9709 7.6775 118.5356 59.4575 29.4801 178.6576 38 Q 4.1227 8.0294 117.5795 58.6393 28.9416 177.9342 39 F 2.7276 7.9695 121.6468 61.4231 39.1383 177.0041 40 H 4.0377 8.2714 114.2942 58.5325 28.5351 177.1092 41 A 4.1053 7.3518 120.4083 52.7645 18.8382 177.8205 42 S 4.1266 6.8620 112.0679 58.2968 62.9029 173.9309 43 K 4.4202 8.4188 123.6242 56.4559 33.0542 176.9968 44 Q 4.5868 8.0549 117.8806 53.6714 29.4120 175.7970 45 Q 3.9773 7.9647 120.3955 58.7554 29.1540 178.8237 46 G 3.7311 8.1134 106.3218 47.9897 0.0000 175.8492 47 R 3.9861 8.0250 120.3299 58.7214 30.2791 178.6408 48 F 4.0799 8.5644 120.6519 61.4628 39.4626 177.0471 49 L 4.2129 8.8752 120.0965 57.9791 41.8478 178.5578 50 A 4.1358 8.4667 121.1746 55.2093 18.2977 179.8261 51 K 3.9626 8.0381 116.5616 59.6410 32.0859 179.8937 52 R 3.8592 7.8450 118.0888 58.9943 29.9070 178.7841 53 F 3.9457 8.8121 120.5892 61.2610 39.3416 176.9374 54 A 4.5035 8.6481 121.4769 54.6805 18.1544 179.3951 55 A 3.8474 8.0755 119.1892 55.3504 18.3940 180.0872 56 K 3.5135 8.1320 116.9924 59.2474 32.1888 179.5809 57 E 3.6254 8.0938 118.8621 59.0911 29.3554 179.0712 58 A 3.8638 8.0639 120.8386 55.1594 18.4603 179.5398 59 A 3.8087 7.8020 119.4788 55.2188 18.2466 180.0642 60 S 4.1582 7.5951 112.6907 61.3041 63.0231 176.8834 61 K 3.9535 7.8116 121.9877 59.0588 31.7725 179.1342 62 A 4.2628 7.9730 122.4645 54.4972 18.0272 179.6225 63 L 4.0354 7.7335 116.8298 56.1390 41.7667 178.4421 64 G 4.0086 7.9640 105.9641 45.2346 0.0000 173.7337 65 T 4.1917 7.6869 108.8787 60.7789 70.5883 175.8130 66 G 3.8695 8.0225 110.3342 45.4428 0.0000 173.6220 67 I 3.9502 7.7458 117.4730 58.9931 35.5882 174.4707 68 A 4.2340 8.4019 126.8984 52.1451 22.6865 176.2702 69 Q 3.5494 9.9493 114.7856 57.1169 26.1348 175.6111 70 G 3.9129 8.5577 106.5042 45.0559 0.0000 174.4172 71 V 4.0918 7.7806 121.2078 62.0681 32.4329 174.9767 72 T 4.8553 8.3466 116.1258 59.2217 72.0793 174.8765 73 F 4.3947 8.5797 119.7947 61.0525 38.9713 177.3462 74 H 4.6230 7.8505 115.4985 57.7352 28.7309 175.9751 75 D 4.3986 7.9532 118.6657 54.6180 40.9358 175.4348 76 F 5.3597 7.7993 117.9532 55.7819 41.5950 174.9183 77 T 4.8258 9.0221 120.0070 61.8441 71.6244 172.9193 78 I 4.6505 9.2231 128.2594 60.3512 38.5920 175.0272 79 S 4.9990 9.0572 122.4853 56.9584 66.1030 171.7757 80 H 5.4622 8.5221 115.1036 54.3911 32.9084 173.7421 81 D 4.7541 8.8724 122.0801 51.9071 40.8754 177.3205 82 K 4.0722 8.4968 117.4290 59.2973 32.5228 177.5865 83 L 4.2916 8.0895 118.0513 54.7037 41.9011 177.3283 84 G 3.9937 8.1638 107.6130 44.4244 0.0000 173.8136 85 K 4.2582 8.0806 122.5607 55.6152 33.2141 174.2522 86 P 4.7955 0.0000 0.0000 62.7333 32.5706 175.5129 87 L 4.8447 8.9083 121.7332 52.8492 45.6287 174.9892 88 L 5.1719 8.5699 124.3716 53.3551 44.2372 175.3101 89 I 4.6319 8.7838 126.7399 59.5435 40.3316 174.6418 90 L 5.0869 8.5682 126.4327 53.6807 43.8746 175.5827 91 S 4.3626 8.6215 115.9707 57.1016 67.1576 174.4277 92 G 3.6946 8.7396 107.6758 46.6621 0.0000 175.9595 93 Q 3.9054 8.5982 119.1573 58.8548 28.9527 178.1495 94 A 3.8488 7.8707 121.3573 55.0777 18.3423 179.3296 95 A 3.8599 7.7074 118.7961 54.9356 18.3898 179.3305 96 E 3.8272 8.0039 117.7262 59.6143 29.6932 179.2058 97 L 3.9616 8.0409 118.6349 57.6704 41.5924 179.3238 98 A 3.9686 8.2023 120.9299 55.1679 18.3061 179.5157 99 S 4.0055 8.3790 111.9442 61.8462 62.2529 176.5794 100 Q 4.0773 7.9198 119.2780 58.4414 28.5041 177.7435 101 L 4.2958 7.8292 117.5471 54.0025 41.8324 176.5797 102 Q 3.5188 8.0958 117.6358 56.5555 26.8528 173.5835 103 V 4.0432 7.9876 118.2114 63.1569 31.8658 175.1450 104 E 4.7400 9.1106 124.0664 55.9532 31.8674 175.8104 105 N 5.0669 8.0752 117.1868 51.3640 42.8357 173.2731 106 I 4.9665 8.2964 122.9343 59.7607 40.5220 174.5097 107 H 5.0148 9.1559 123.2172 53.8630 32.2533 172.4281 108 L 5.1692 8.5420 123.6042 53.4050 45.2359 175.2339 109 S 4.8522 9.0906 119.4678 56.6184 66.1754 172.5330 110 I 5.0668 8.2779 124.6221 59.7593 40.3270 174.6992 111 S 4.7185 8.4952 118.5090 56.8565 65.6254 172.3266 112 D 5.0039 8.3665 123.2646 51.8012 42.3377 174.5269 113 E 4.8874 8.6365 118.6553 54.9056 32.3358 175.0510 114 R 3.9877 8.8896 116.1827 59.7602 30.2600 177.2635 115 H 4.5386 8.5386 112.9342 55.8656 30.5759 173.7461 116 Y 5.3475 7.9455 115.5768 56.0289 41.9971 174.6013 117 A 5.5158 9.2716 123.5157 49.1566 23.1117 174.8783 *119 A 4.5407 8.2236 119.1427 52.4771 20.5436 175.9730 120 T 5.1430 8.5863 114.9810 61.8062 73.0994 173.4038 121 V 4.9277 9.0371 124.8171 61.1588 35.2420 174.1189 122 I 4.9826 8.8194 127.5971 59.5395 40.6427 174.2513 123 L 5.0814 8.7303 126.5795 53.0820 44.1886 175.1561 124 E 5.0465 9.0652 123.5111 54.3793 32.9982 174.5295 125 R 5.0858 8.4349 122.2069 53.2719 32.2361 176.1328 126 R 4.1439 8.4199 119.2369 56.8431 30.1028 176.2867 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 2 I 8.02 4.29 1.87 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 1.31 1.07 1.01 0.00 0.00 3 V 8.68 3.75 2.20 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 0.69 0.00 0.00 1.01 0.00 0.00 4 G 7.68 4.71 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 0.00 0.00 0.00 5 L 8.29 5.35 0.00 1.71 1.45 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.18 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 5.25 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 1.19 0.00 0.00 8 D 8.87 4.80 0.00 2.82 2.53 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 9 I 8.44 5.13 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.91 0.00 0.00 10 A 9.50 4.92 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 11 E 8.86 4.54 0.00 2.17 1.87 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 2.23 2.09 0.00 12 I 8.62 3.77 1.86 0.00 0.00 0.85 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 0.49 0.91 0.00 0.00 13 E 7.98 4.15 0.00 1.99 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 2.34 2.23 0.00 14 R 7.63 3.83 0.00 2.05 1.87 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 15 V 7.63 3.55 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 1.28 0.00 0.00 0.91 0.00 0.00 16 E 8.36 4.02 0.00 2.18 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 0.00 2.36 2.49 0.00 17 K 8.32 4.02 0.00 1.89 1.78 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.55 7.81 18 A 7.82 3.73 0.46 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 0.00 0.00 19 L 8.08 4.07 0.00 1.97 1.86 1.20 0.86 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 20 A 7.97 4.05 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 21 R 7.31 4.23 0.00 1.84 1.94 0.00 3.02 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 22 S 8.39 4.71 0.00 3.90 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 23 G 8.82 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 24 E 9.07 4.01 0.00 2.18 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 0.00 2.44 2.52 0.00 25 N 7.87 4.42 0.00 2.96 2.93 0.00 0.00 6.99 8.51 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 26 F 8.20 4.42 0.00 3.02 3.22 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 0.00 27 A 8.03 3.41 0.76 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 28 R 8.14 3.80 0.00 1.82 2.00 0.00 3.29 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 29 R 7.46 4.01 0.00 1.83 1.98 0.00 3.37 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 1.59 1.70 0.00 30 I 7.24 3.57 1.43 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.03 0.62 0.00 0.00 31 L 7.18 4.83 0.00 1.51 1.51 0.61 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.83 4.04 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 1.26 0.00 0.00 33 D 8.41 4.36 0.00 2.65 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 34 S 7.96 4.27 0.00 3.90 3.87 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 35 E 8.08 4.12 0.00 2.19 2.13 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 2.42 2.40 0.00 36 L 7.91 3.97 0.00 1.89 1.61 0.96 0.60 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 37 E 7.68 3.97 0.00 1.98 2.17 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 2.34 2.38 0.00 38 Q 8.03 4.12 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 39 F 7.97 2.73 0.00 2.70 2.92 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 40 H 8.27 4.04 0.00 3.13 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.35 4.11 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 42 S 6.86 4.13 0.00 3.61 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.42 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.38 7.81 44 Q 8.05 4.59 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 45 Q 7.96 3.98 0.00 1.89 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 1.59 2.14 0.00 46 G 8.11 3.73 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 0.00 0.00 0.00 47 R 8.03 3.99 0.00 2.07 2.04 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.56 4.08 0.00 3.31 3.33 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 49 L 8.88 4.21 0.00 2.19 1.89 0.70 0.72 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 50 A 8.47 4.14 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 51 K 8.04 3.96 0.00 1.91 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.60 7.81 52 R 7.85 3.86 0.00 2.00 1.96 0.00 3.23 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 53 F 8.81 3.95 0.00 3.12 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 54 A 8.65 4.50 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 3.85 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 56 K 8.13 3.51 0.00 1.88 1.84 0.00 1.85 0.00 0.00 2.16 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.68 7.81 57 E 8.09 3.63 0.00 1.87 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 2.04 1.62 0.00 58 A 8.06 3.86 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 59 A 7.80 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.60 4.16 0.00 4.09 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 61 K 7.81 3.95 0.00 1.94 1.85 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.57 7.81 62 A 7.97 4.26 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 63 L 7.73 4.04 0.00 1.90 1.79 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.96 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 65 T 7.69 4.19 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 66 G 8.02 3.87 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 0.00 0.00 0.00 67 I 7.75 3.95 1.63 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.16 0.58 0.00 0.00 68 A 8.40 4.23 1.14 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 0.00 0.00 69 Q 9.95 3.55 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 8.56 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 0.00 0.00 0.00 71 V 7.78 4.09 2.32 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 1.01 0.00 0.00 0.90 0.00 0.00 72 T 8.35 4.86 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 1.18 0.00 0.00 73 F 8.58 4.39 0.00 3.35 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 74 H 7.85 4.62 0.00 3.15 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.95 4.40 0.00 2.02 2.18 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 F 7.80 5.36 0.00 2.95 2.92 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 77 T 9.02 4.83 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 1.24 0.00 0.00 78 I 9.22 4.65 1.84 0.00 0.00 0.85 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 0.76 0.80 0.00 0.00 79 S 9.06 5.00 0.00 3.82 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 80 H 8.52 5.46 0.00 3.01 3.15 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.87 4.75 0.00 2.92 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 82 K 8.50 4.07 0.00 1.90 2.01 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 8.09 4.29 0.00 1.79 1.75 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.16 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 85 K 8.08 4.26 0.00 1.87 2.06 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.45 7.81 86 P 0.00 4.80 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 87 L 8.91 4.84 0.00 1.50 1.53 0.92 0.40 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 88 L 8.57 5.17 0.00 1.60 1.54 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.78 4.63 1.88 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 1.23 0.64 0.91 0.00 0.00 90 L 8.57 5.09 0.00 1.47 1.45 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.62 4.36 0.00 3.74 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 92 G 8.74 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 0.00 0.00 0.00 93 Q 8.60 3.91 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 94 A 7.87 3.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 3.86 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 96 E 8.00 3.83 0.00 2.09 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 0.00 2.28 2.38 0.00 97 L 8.04 3.96 0.00 1.85 1.69 0.90 0.62 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 98 A 8.20 3.97 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 99 S 8.38 4.01 0.00 3.89 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 0.00 100 Q 7.92 4.08 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 101 L 7.83 4.30 0.00 1.76 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.10 3.52 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 103 V 7.99 4.04 2.16 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 0.82 0.00 0.00 0.96 0.00 0.00 104 E 9.11 4.74 0.00 1.94 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 2.25 2.24 0.00 105 N 8.08 5.07 0.00 2.61 2.60 0.00 0.00 6.93 7.45 0.00 0.00 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 8.30 4.97 1.83 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 1.34 0.58 0.91 0.00 0.00 107 H 9.16 5.01 0.00 3.03 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.54 5.17 0.00 1.55 1.46 0.93 0.81 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 0.00 109 S 9.09 4.85 0.00 3.89 3.62 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 0.00 110 I 8.28 5.07 1.86 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 1.20 0.76 0.90 0.00 0.00 111 S 8.50 4.72 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 0.00 112 D 8.37 5.00 0.00 2.92 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 0.00 113 E 8.64 4.89 0.00 2.05 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 2.29 2.41 0.00 114 R 8.89 3.99 0.00 1.69 1.86 0.00 3.32 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 115 H 8.54 4.54 0.00 3.05 2.59 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.95 5.35 0.00 3.01 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 0.00 117 A 9.27 5.52 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 *119 A 8.22 4.54 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 0.00 120 T 8.59 5.14 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 1.23 0.00 0.00 121 V 9.04 4.93 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 1.07 0.00 0.00 0.89 0.00 0.00 122 I 8.82 4.98 1.92 0.00 0.00 0.85 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 0.56 0.94 0.00 0.00 123 L 8.73 5.08 0.00 1.60 1.56 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.07 5.05 0.00 2.06 1.87 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 2.21 2.25 0.00 125 R 8.43 5.09 0.00 1.93 1.89 0.00 2.70 0.00 0.00 3.81 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 126 R 8.42 4.14 0.00 2.02 1.86 0.00 3.27 0.00 0.00 3.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.