NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4654 8.1933 115.2967 57.5409 63.6777 176.2556 4 K 3.9715 9.0006 117.8894 58.4991 31.4452 176.2818 5 G 4.0204 9.1738 107.1603 48.6745 0.0000 175.2533 6 T 4.2288 8.0086 119.4826 65.4446 68.4819 176.4517 7 R 3.8250 8.0248 120.6438 59.6384 30.0350 178.6024 8 F 4.3582 8.5830 117.5083 60.2511 38.5844 177.7664 9 E 4.0417 8.5406 118.4892 59.5947 29.2800 179.6180 10 R 3.9878 8.5249 118.5416 59.0853 30.0748 178.5878 11 D 4.3893 8.2440 118.0035 57.4096 41.2225 178.1296 12 L 3.5767 8.1911 120.8162 57.7957 41.9097 178.7283 13 L 4.0151 8.0889 119.1499 57.9616 41.6506 179.7216 14 V 3.7395 7.8808 117.9444 66.1601 31.6014 177.8819 15 E 4.1195 8.3351 118.3406 59.3473 29.2963 179.4245 16 L 3.9936 8.3008 119.3089 57.6838 41.7279 179.4943 17 W 4.9915 8.3298 120.1832 59.4142 28.7791 178.7808 18 K 4.1676 8.3144 117.0526 58.9090 31.5296 178.2291 19 A 4.5035 7.7286 118.5263 51.9558 18.7904 177.8561 20 G 3.7495 8.0742 106.2603 45.1449 0.0000 173.3490 21 F 4.6804 8.0332 118.3593 55.4806 41.2621 174.8751 22 A 2.5800 8.3286 125.1042 50.6214 19.5504 176.3221 23 A 5.0928 7.0745 123.2427 50.1011 22.7485 175.1079 24 I 4.8312 8.7193 112.7213 59.1917 41.4663 174.6905 25 R 4.7376 8.5967 122.4461 55.6927 31.3328 175.9729 26 V 4.1090 8.3445 123.2738 61.7233 32.3913 175.6680 27 A 4.2752 8.6389 131.0344 52.8979 20.3256 177.2023 28 G 3.8382 8.0338 110.8417 46.9102 0.0000 177.1464 *34 F 4.7124 8.4852 116.1357 56.1085 38.9549 171.6230 35 P 4.5021 0.0000 0.0000 62.7094 32.1381 176.7267 36 C 4.2904 8.2136 115.7698 55.8183 32.5008 172.3720 37 P 4.7155 0.0000 0.0000 61.6912 33.0482 174.7834 38 D 4.6329 8.5637 116.3917 56.1369 42.3196 177.2370 39 I 5.0032 7.4456 117.3762 59.3263 41.7397 174.6672 40 V 4.7768 8.4644 124.6821 61.1324 34.6602 174.1774 41 A 5.1189 8.8520 127.5649 50.7867 23.1082 174.9407 42 G 4.5500 9.0868 105.3721 45.1611 0.0000 173.4392 43 N 4.9320 8.7278 117.6921 51.9502 37.8851 175.3601 44 G 4.0576 8.6736 107.7218 45.6486 0.0000 174.9019 45 R 4.4025 7.5705 111.3927 56.3309 32.6245 175.3989 46 T 4.5781 8.6703 115.1942 61.4819 71.0467 172.3536 47 Y 5.4364 8.4740 122.3551 56.2194 41.5978 174.4358 48 L 5.3631 9.3621 122.8746 52.8360 45.5184 175.2466 49 A 5.0778 9.0780 124.5263 50.2282 21.8020 175.0437 50 I 5.0200 8.6709 123.5985 59.5981 40.4813 174.2795 51 E 4.7529 9.1211 128.4539 54.9884 31.1542 174.5996 52 V 4.9104 9.2575 127.6720 61.2664 33.2428 174.9972 53 K 4.8190 9.5523 126.7934 54.8106 36.5294 174.8215 54 M 4.7927 8.5241 122.2461 53.7131 34.7720 174.7232 55 R 4.5481 8.2806 123.7554 54.0663 33.8867 176.6697 56 K 3.8785 8.7439 123.6236 59.0687 32.6137 176.7861 57 E 4.6402 7.4570 115.0874 54.2613 33.4925 174.7004 58 L 4.2837 8.0780 121.2127 54.2585 42.5564 174.9313 59 P 4.7009 0.0000 0.0000 61.9533 33.5184 174.6197 60 L 4.4877 8.3884 122.7561 54.2053 43.3162 174.6053 61 Y 5.0856 8.6951 123.8552 56.4094 39.9626 175.0620 62 L 5.0937 9.0098 123.3341 52.6233 45.9179 176.6805 63 S 4.5711 8.7337 116.3494 57.8586 64.1617 174.9665 64 A 4.3963 8.8652 124.0382 55.6872 17.9858 179.6880 65 D 4.2942 8.1292 115.9299 57.5069 41.3825 177.9286 66 E 3.9133 8.3454 119.8361 59.2376 29.5664 179.0387 67 V 3.4229 7.6738 117.8483 65.8114 31.4745 177.5217 68 E 3.9087 8.5224 119.5061 59.5396 29.3700 178.8769 69 Q 4.0106 8.3674 118.1965 58.7511 28.6868 178.4641 70 L 3.9517 7.9082 121.4191 58.1632 42.0846 179.2504 71 V 3.5734 7.9665 118.2305 66.2870 31.4748 178.1044 72 T 3.8565 8.1760 115.6711 66.5921 68.2328 176.3682 73 F 4.0151 8.5940 122.5626 61.3315 39.3538 177.0277 74 A 4.1073 8.4645 120.5256 55.2274 17.6639 179.8771 75 R 3.9560 8.3702 116.9728 59.2597 29.9128 179.5800 76 G 3.3232 7.7666 104.5392 47.8009 0.0000 175.3791 77 F 3.8350 7.8886 122.5472 58.3438 40.1865 174.8872 78 G 3.5804 7.8646 104.4292 46.1566 0.0000 172.1283 79 A 5.2144 8.1860 118.2067 49.8223 23.2657 177.0379 80 E 4.2936 9.4880 119.3012 55.9590 30.9706 175.8507 81 A 5.0193 8.3872 125.8999 51.1193 20.8935 175.5665 82 Y 4.9275 8.9864 119.3354 56.2496 43.0708 174.4106 83 V 4.7490 9.1870 122.8082 61.5465 33.6537 174.2135 84 A 5.1368 9.1533 130.4245 50.2036 21.3532 175.0754 85 L 5.2444 9.2563 124.8828 53.1043 45.5512 174.8425 86 K 4.2208 8.5748 127.7640 54.4500 33.9626 174.9679 87 L 5.0998 7.9497 126.4777 51.3555 44.5722 174.3681 88 P 4.1778 0.0000 0.0000 64.2020 31.7290 176.5289 89 R 3.8889 8.7995 118.6706 56.8243 27.6627 175.7575 90 A 4.7047 7.5401 118.9823 49.8069 22.0087 177.0373 91 A 4.2272 8.4620 123.6902 51.5041 19.1919 177.5653 92 W 4.2463 8.7265 119.5789 57.6781 29.6651 175.9521 93 R 4.8047 8.8120 122.0908 54.2732 33.6744 174.5547 94 F 5.1272 8.8142 120.7129 55.7173 42.2848 174.1659 95 F 5.0195 9.6902 123.3055 54.8447 41.2625 173.3363 96 P 4.4168 0.0000 0.0000 61.8046 32.0065 177.9568 97 V 3.4651 8.4932 122.1508 66.1904 31.5464 178.1278 98 Q 4.1351 7.9763 117.0409 58.1298 28.6329 176.4705 99 M 4.3537 7.9654 116.4943 55.9901 32.8855 176.0904 100 L 4.2369 7.5010 118.8734 55.0501 42.6394 176.2657 101 E 4.3222 8.8214 124.7386 55.5769 30.8585 175.3078 102 R 4.2102 8.6275 127.9593 56.1366 31.1184 175.6519 103 T 4.7253 7.7071 117.1193 60.1735 70.7222 172.7548 104 E 3.2851 7.7441 114.3604 58.7647 30.0011 177.1337 105 K 4.5346 7.9559 120.2576 56.9211 34.6981 175.0040 106 N 5.3232 8.1494 118.7218 51.7629 42.8481 172.8510 107 F 5.3622 9.1217 116.7708 56.3119 43.4029 174.6393 108 K 4.8355 9.0861 118.9687 55.7218 36.5100 175.0710 109 I 4.3626 8.6528 123.0216 59.9833 39.7041 174.3484 110 D 5.4556 8.1064 129.0505 51.4458 42.2390 176.5670 111 E 4.0129 8.8897 116.0984 59.4814 29.4562 178.3802 112 S 4.3358 8.2667 114.6654 60.4309 63.5655 175.6527 113 V 4.0854 7.8084 120.8700 64.5871 31.9836 176.6567 114 Y 4.3791 8.2311 119.7258 60.4936 38.4058 176.6431 115 P 4.3823 0.0000 0.0000 64.6208 31.6323 177.2301 116 L 4.1989 8.0270 117.6449 56.0959 41.9611 177.6251 117 G 2.8926 7.5735 106.3622 45.7265 0.0000 173.8184 118 L 4.4969 8.3181 122.6624 54.4309 43.3321 176.6249 119 E 4.7218 9.2665 122.0846 55.2456 31.4947 177.4747 120 I 3.1807 8.4997 119.8899 64.1507 37.9368 177.6282 121 A 4.0472 7.8810 121.2338 55.1950 18.0934 179.3365 122 E 3.8425 7.9374 116.6963 59.3529 29.4095 179.3932 123 V 3.4108 7.3126 117.2777 65.7748 31.5973 177.4541 124 A 4.3402 7.9908 118.3196 52.0182 18.6236 177.4482 125 G 3.6915 7.6030 104.9010 46.6279 0.0000 173.3954 126 K 4.3529 7.7694 117.6407 53.6782 35.5424 175.9574 127 F 4.6116 8.2818 118.5665 56.9995 39.8347 175.1861 128 F 4.8212 8.6762 123.1648 56.5727 42.0052 174.3127 129 Q 4.1127 7.9180 127.2831 56.1058 28.9341 174.8166 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 3 S 8.19 4.47 0.00 3.90 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 4 K 9.00 3.97 0.00 2.03 2.11 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.68 1.64 7.81 5 G 9.17 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 0.00 0.00 0.00 6 T 8.01 4.23 4.43 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 1.23 0.00 0.00 7 R 8.02 3.83 0.00 1.78 1.88 0.00 2.86 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.36 0.00 8 F 8.58 4.36 0.00 3.33 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 9 E 8.54 4.04 0.00 2.25 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 2.39 2.65 0.00 10 R 8.52 3.99 0.00 1.83 1.99 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 11 D 8.24 4.39 0.00 2.91 3.20 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 12 L 8.19 3.58 0.00 0.72 1.43 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.09 4.02 0.00 2.03 1.90 1.00 0.71 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 14 V 7.88 3.74 2.31 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 1.10 0.00 0.00 1.03 0.00 0.00 15 E 8.34 4.12 0.00 2.19 2.06 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 2.52 2.76 0.00 16 L 8.30 3.99 0.00 1.76 1.55 0.69 0.50 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 17 W 8.33 4.99 0.00 3.55 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 18 K 8.31 4.17 0.00 2.03 1.97 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.76 7.81 19 A 7.73 4.50 1.48 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 20 G 8.07 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 0.00 0.00 0.00 21 F 8.03 4.68 0.00 2.90 2.62 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 22 A 8.33 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.07 5.09 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 24 I 8.72 4.83 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 1.04 0.00 0.00 25 R 8.60 4.74 0.00 1.74 1.90 0.00 3.22 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 26 V 8.34 4.11 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 0.63 0.00 0.00 0.79 0.00 0.00 27 A 8.64 4.28 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 28 G 8.03 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 0.00 0.00 0.00 *34 F 8.49 4.71 0.00 3.17 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 35 P 0.00 4.50 0.00 2.48 2.14 0.00 3.87 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 2.13 2.02 0.00 36 C 8.21 4.29 0.00 2.79 2.85 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 37 P 0.00 4.72 0.00 2.21 1.94 0.00 2.46 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.00 38 D 8.56 4.63 0.00 2.71 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 39 I 7.45 5.00 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.85 0.00 0.00 40 V 8.46 4.78 1.95 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 0.74 0.00 0.00 0.61 0.00 0.00 41 A 8.85 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.09 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 43 N 8.73 4.93 0.00 2.37 1.93 0.00 0.00 7.19 6.61 0.00 0.00 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 G 8.67 4.06 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 0.00 45 R 7.57 4.40 0.00 1.78 1.89 0.00 2.91 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 46 T 8.67 4.58 4.31 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 1.37 0.00 0.00 47 Y 8.47 5.44 0.00 3.23 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 48 L 9.36 5.36 0.00 1.27 1.42 -0.30 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.08 5.08 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 50 I 8.67 5.02 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.97 0.00 0.00 51 E 9.12 4.75 0.00 2.09 1.83 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 2.30 2.27 0.00 52 V 9.26 4.91 2.14 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 1.03 0.00 0.00 0.85 0.00 0.00 53 K 9.55 4.82 0.00 1.67 1.61 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.52 7.81 54 M 8.52 4.79 0.00 1.36 0.84 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.79 0.00 55 R 8.28 4.55 0.00 1.61 1.82 0.00 3.30 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 56 K 8.74 3.88 0.00 1.65 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.41 7.81 57 E 7.46 4.64 0.00 1.88 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 2.14 2.27 0.00 58 L 8.08 4.28 0.00 1.40 1.49 0.65 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.70 0.00 1.85 1.92 0.00 3.81 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 2.11 1.97 0.00 60 L 8.39 4.49 0.00 1.71 1.44 0.92 0.84 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 61 Y 8.70 5.09 0.00 2.87 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 62 L 9.01 5.09 0.00 1.69 1.57 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.73 4.57 0.00 4.06 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 64 A 8.87 4.40 1.52 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 0.00 0.00 65 D 8.13 4.29 0.00 2.84 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 66 E 8.35 3.91 0.00 2.11 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 2.30 2.36 0.00 67 V 7.67 3.42 1.75 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 0.34 0.00 0.00 0.63 0.00 0.00 68 E 8.52 3.91 0.00 2.13 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 2.33 2.38 0.00 69 Q 8.37 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 70 L 7.91 3.95 0.00 1.75 1.82 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.97 3.57 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 1.04 0.00 0.00 0.87 0.00 0.00 72 T 8.18 3.86 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 1.23 0.00 0.00 73 F 8.59 4.02 0.00 3.31 3.20 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 74 A 8.46 4.11 1.50 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 75 R 8.37 3.96 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 76 G 7.77 3.32 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 0.00 77 F 7.89 3.83 0.00 2.17 2.79 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 78 G 7.86 3.58 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 0.00 0.00 0.00 79 A 8.19 5.21 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 80 E 9.49 4.29 0.00 2.06 1.79 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 2.33 2.35 0.00 81 A 8.39 5.02 1.20 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 0.00 0.00 82 Y 8.99 4.93 0.00 2.89 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 83 V 9.19 4.75 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 0.87 0.00 0.00 0.94 0.00 0.00 84 A 9.15 5.14 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 85 L 9.26 5.24 0.00 1.82 1.79 0.92 0.18 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 86 K 8.57 4.22 0.00 0.79 0.74 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.70 0.89 7.81 87 L 7.95 5.10 0.00 1.50 1.37 0.22 1.10 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 88 P 0.00 4.18 0.00 1.99 1.96 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 89 R 8.80 3.89 0.00 1.94 2.01 0.00 3.14 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 90 A 7.54 4.70 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 91 A 8.46 4.23 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 92 W 8.73 4.25 0.00 3.19 2.68 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 0.00 0.00 0.00 0.00 93 R 8.81 4.80 0.00 1.61 1.24 0.00 3.10 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.19 0.00 94 F 8.81 5.13 0.00 2.62 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 95 F 9.69 5.02 0.00 2.98 3.05 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 96 P 0.00 4.42 0.00 2.00 1.73 0.00 3.98 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.87 0.00 97 V 8.49 3.47 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 0.80 0.00 0.00 0.82 0.00 0.00 98 Q 7.98 4.14 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 99 M 7.97 4.35 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 100 L 7.50 4.24 0.00 1.78 1.73 0.68 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.82 4.32 0.00 2.06 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 2.24 2.24 0.00 102 R 8.63 4.21 0.00 1.71 1.69 0.00 2.26 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 103 T 7.71 4.73 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 1.17 0.00 0.00 104 E 7.74 3.29 0.00 1.97 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 2.31 2.29 0.00 105 K 7.96 4.53 0.00 1.69 1.83 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.42 7.81 106 N 8.15 5.32 0.00 2.82 3.10 0.00 0.00 6.73 8.26 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 0.00 107 F 9.12 5.36 0.00 2.88 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 0.00 108 K 9.09 4.84 0.00 1.10 1.08 0.00 0.97 0.00 0.00 1.49 0.00 0.00 2.59 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.26 1.19 7.81 109 I 8.65 4.36 1.58 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.44 0.47 0.00 0.00 110 D 8.11 5.46 0.00 2.71 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 0.00 111 E 8.89 4.01 0.00 2.15 2.10 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 2.26 2.37 0.00 112 S 8.27 4.34 0.00 4.08 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 0.00 113 V 7.81 4.09 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 1.24 0.00 0.00 0.94 0.00 0.00 114 Y 8.23 4.38 0.00 3.19 3.01 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 0.00 115 P 0.00 4.38 0.00 2.13 2.16 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 116 L 8.03 4.20 0.00 1.83 1.75 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.57 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 0.00 0.00 0.00 118 L 8.32 4.50 0.00 1.77 1.52 0.96 0.79 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 0.00 119 E 9.27 4.72 0.00 1.75 1.73 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 2.23 2.15 0.00 120 I 8.50 3.18 2.05 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 1.54 0.97 1.06 0.00 0.00 121 A 7.88 4.05 1.42 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 0.00 122 E 7.94 3.84 0.00 2.08 1.94 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 2.33 2.27 0.00 123 V 7.31 3.41 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 0.17 0.00 0.00 0.16 0.00 0.00 124 A 7.99 4.34 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 0.00 125 G 7.60 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 0.00 126 K 7.77 4.35 0.00 1.67 1.71 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.42 7.81 127 F 8.28 4.61 0.00 3.06 3.01 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 0.00 128 F 8.68 4.82 0.00 2.93 2.96 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 0.00 129 Q 7.92 4.11 0.00 1.89 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.