NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2970 8.3144 120.1359 56.1287 33.5367 175.0421 9 M 3.9821 8.5412 123.4373 55.1375 32.9057 173.5892 10 K 4.5740 8.6671 124.2103 54.3853 37.1238 174.5574 11 V 5.0413 8.2041 120.3401 61.2654 34.6243 174.6717 12 K 4.8446 9.3641 127.1681 54.5497 35.8149 175.1289 13 A 4.7981 8.8473 129.3844 52.8724 19.3173 176.6960 14 T 4.7772 9.2065 117.6618 62.0441 73.8782 172.8036 15 K 4.8363 8.7944 126.2718 55.4331 34.1025 175.5604 16 G 4.2012 8.9100 113.7245 44.5531 0.0000 171.2771 17 E 4.8904 8.1678 119.6875 54.9688 33.5867 174.8043 18 G 4.3948 8.5600 112.8207 43.3077 0.0000 171.2897 19 D 4.4418 8.6633 118.9181 56.1512 41.2437 177.5238 20 G 3.8899 9.1175 110.3326 45.5861 0.0000 174.1225 21 G 4.2133 7.9969 105.7889 46.5380 0.0000 173.9702 22 I 4.0128 7.3438 120.5107 61.2317 37.8974 175.6887 23 T 5.1222 8.4735 116.9001 60.0884 71.5882 173.2905 24 S 4.8342 8.9550 115.6663 56.8432 66.9959 172.5182 25 E 5.1688 8.5419 119.5508 55.1111 32.4234 175.5168 26 G 3.8301 8.6649 108.3719 46.1059 0.0000 170.9754 27 N 5.5293 8.6409 117.3680 51.5074 40.6183 174.7115 28 A 4.9809 9.4090 126.8277 51.4283 20.6192 175.8009 29 L 5.0844 8.9967 122.8375 53.3581 44.0283 175.5017 30 Y 4.7723 8.4370 120.8433 55.8601 42.3170 173.1688 31 N 4.7690 8.4341 115.7214 54.0887 42.6907 175.7298 32 N 4.0934 9.3880 121.4339 54.3707 36.4574 176.0052 *37 A 4.4246 8.9470 132.0929 52.7162 20.6150 178.1598 38 F 4.8596 9.4307 121.5583 56.7459 41.1418 175.3506 39 M 4.2751 8.5621 124.5032 55.6732 32.3847 175.1082 40 Y 4.9658 8.9191 122.8489 59.6170 40.8557 175.2012 41 A 4.9712 7.5573 118.0702 51.5299 23.2303 174.5248 42 Y 5.3127 9.0570 119.8177 56.1268 42.5701 173.9044 43 V 4.8368 8.6291 126.5463 61.6610 34.4593 174.3484 44 T 4.7397 8.6900 121.8203 61.4590 70.7543 173.4188 45 T 4.9617 8.7545 110.7727 61.4277 69.6533 174.2029 46 K 4.3864 7.8851 120.3570 54.3297 35.6290 174.1169 47 P 3.9408 0.0000 0.0000 62.7496 32.3850 176.5094 48 G 3.9710 8.7860 105.5986 45.4883 0.0000 173.3159 49 M 4.1996 8.0202 119.6265 55.1304 32.6333 176.1650 50 K 4.7220 8.6609 121.6421 57.3169 35.3520 175.4311 51 Y 5.2430 7.0259 115.8478 56.0223 41.4509 174.0380 52 V 4.5735 8.7156 112.8499 59.4602 35.7400 175.5685 53 K 4.7410 8.3327 122.7187 55.2057 32.6038 176.0304 54 W 4.9408 9.4422 135.0000 55.7459 32.1647 174.8783 55 E 3.7074 7.9288 124.2385 56.0365 29.9943 176.2031 56 H 4.6927 8.1682 117.2883 53.9420 33.1193 172.3797 57 D 4.6329 8.3060 121.2587 53.2028 39.2727 175.9763 58 S 4.7267 7.5837 118.2836 58.0108 66.5245 177.7399 59 G 3.9478 8.3566 109.5988 44.8140 0.0000 174.8439 60 V 3.9683 8.9122 117.0355 62.4237 33.1949 174.9807 61 V 4.4729 8.8621 127.9310 61.4244 34.2051 174.2588 62 T 4.8008 8.4886 124.1392 62.6709 69.6394 174.0892 63 V 4.3695 8.7746 127.1657 60.9046 34.0453 174.3130 64 E 4.7062 8.8419 128.9325 56.0275 31.0300 174.8901 65 L 5.3019 8.5905 125.7784 52.9352 44.1452 176.4303 66 E 4.4085 9.2184 122.3604 55.3270 30.3999 175.3056 67 P 4.3877 0.0000 0.0000 62.6291 31.9759 174.7203 68 P 4.3643 0.0000 0.0000 62.5897 32.8032 175.3391 69 C 4.5727 8.8646 122.8153 58.1337 32.3578 172.6732 70 R 4.5190 8.5307 124.1135 55.7164 30.4351 175.9406 71 F 4.9163 8.4195 116.8725 55.4203 41.6130 173.5448 72 V 4.3757 8.4453 122.2268 62.4261 32.4190 174.9444 73 I 4.7345 8.3220 120.2080 58.9052 40.7899 174.5537 74 D 4.9633 8.6737 123.9289 54.7215 41.6327 175.6190 75 T 4.7315 8.2778 110.2391 59.2351 72.1449 173.1940 76 P 4.1839 0.0000 0.0000 65.3792 31.3366 177.6024 77 T 4.1840 7.3513 106.5923 60.9559 68.7790 173.1006 78 G 3.6830 7.9974 109.0109 43.1928 0.0000 171.2655 79 P 4.6191 0.0000 0.0000 63.0318 32.0241 176.0300 80 Q 4.5918 9.0570 120.8167 54.2050 32.7889 174.2516 81 I 4.2602 8.2620 123.9216 60.2779 38.2754 175.3872 82 K 4.4696 8.1588 126.3374 54.6323 35.5502 174.8171 83 Y 4.8102 8.5999 119.2528 56.2301 41.3474 174.3049 84 L 5.0710 9.1417 127.6072 53.7444 44.2129 174.4901 85 Y 5.0098 9.3231 124.4734 56.2584 40.5572 175.2675 86 F 4.9221 8.7808 123.0798 56.9062 40.8946 175.8354 87 V 4.3319 8.7041 115.3403 60.6801 32.8829 175.8872 88 K 3.8353 8.4719 124.4537 58.5536 32.3061 176.5313 89 N 4.3373 9.0374 121.0891 53.6095 35.9917 174.0882 90 L 3.9617 7.5032 120.5124 55.0319 42.6934 177.1704 91 N 4.6752 8.1922 123.0678 51.9781 40.1816 175.9960 92 N 4.2161 8.3461 117.4334 55.9106 38.5313 177.4299 93 L 3.8631 7.7799 121.5552 58.2842 42.1896 179.1442 94 R 3.7216 8.1100 117.8025 58.8695 29.9900 178.8960 95 R 3.8903 8.1146 118.4998 59.4093 29.9585 179.3331 96 G 3.5819 8.3504 105.3100 47.6286 0.0000 175.6277 97 A 4.0681 8.0225 123.1930 54.8526 18.3382 179.9189 98 V 3.6778 8.1616 116.7808 66.2855 31.6431 178.1753 99 L 4.0986 8.2936 118.8678 57.8339 41.4084 179.8167 100 G 3.6305 8.3948 105.7053 47.9342 0.0000 175.1081 101 Y 3.9367 8.3190 122.1741 60.4989 38.8425 178.2267 102 I 3.9014 8.2755 121.0590 64.2335 37.1963 178.5287 103 G 3.6246 8.4207 106.7581 47.9271 0.0000 175.5733 104 A 3.9772 7.8738 122.2129 54.8914 18.6588 179.7212 105 T 3.8819 7.6904 114.3208 66.7337 68.6770 177.3098 106 V 3.6512 8.1810 120.8412 65.9738 31.3312 178.1575 107 R 4.0172 7.8742 114.5226 58.7161 29.2390 178.0595 108 L 4.2878 7.6289 118.0162 55.4582 41.9687 176.5761 109 Q 4.2403 7.8234 121.7721 56.0728 28.6443 175.2518 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 8 K 8.31 4.30 0.00 1.77 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.46 7.81 9 M 8.54 3.98 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 10 K 8.67 4.57 0.00 0.79 1.29 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.21 7.81 11 V 8.20 5.04 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 0.93 0.00 0.00 0.89 0.00 0.00 12 K 9.36 4.84 0.00 2.12 1.89 0.00 1.20 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.41 7.81 13 A 8.85 4.80 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 14 T 9.21 4.78 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 1.25 0.00 0.00 15 K 8.79 4.84 0.00 1.84 1.64 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.67 7.81 16 G 8.91 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 0.00 0.00 0.00 0.00 17 E 8.17 4.89 0.00 1.71 1.12 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 2.05 2.32 0.00 18 G 8.56 4.39 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 0.00 19 D 8.66 4.44 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 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 0.00 0.00 0.00 0.00 21 G 8.00 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 0.00 0.00 0.00 0.00 22 I 7.34 4.01 1.83 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 1.27 0.67 0.88 0.00 0.00 23 T 8.47 5.12 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 24 S 8.96 4.83 0.00 3.90 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 25 E 8.54 5.17 0.00 1.86 1.91 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 2.22 2.24 0.00 26 G 8.66 3.83 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 0.00 0.00 0.00 27 N 8.64 5.53 0.00 2.69 2.82 0.00 0.00 7.33 8.69 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 28 A 9.41 4.98 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 29 L 9.00 5.08 0.00 1.60 1.42 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.44 4.77 0.00 3.10 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 31 N 8.43 4.77 0.00 2.45 2.76 0.00 0.00 7.49 6.53 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 32 N 9.39 4.09 0.00 3.24 2.90 0.00 0.00 6.90 7.35 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 *37 A 8.95 4.42 1.27 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 0.00 0.00 0.00 38 F 9.43 4.86 0.00 3.12 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 39 M 8.56 4.28 0.00 1.31 0.57 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.20 0.00 40 Y 8.92 4.97 0.00 2.90 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 41 A 7.56 4.97 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 42 Y 9.06 5.31 0.00 2.91 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 43 V 8.63 4.84 2.07 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 1.04 0.00 0.00 1.00 0.00 0.00 44 T 8.69 4.74 3.60 0.00 0.00 0.00 0.00 0.00 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 45 T 8.75 4.96 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 1.20 0.00 0.00 46 K 7.89 4.39 0.00 1.69 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.34 7.81 47 P 0.00 3.94 0.00 2.03 1.64 0.00 3.51 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 48 G 8.79 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 49 M 8.02 4.20 0.00 1.65 1.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 50 K 8.66 4.72 0.00 1.77 1.96 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.57 7.81 51 Y 7.03 5.24 0.00 3.10 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 52 V 8.72 4.57 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 -0.27 0.00 0.00 0.77 0.00 0.00 53 K 8.33 4.74 0.00 1.65 1.81 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.58 7.81 54 W 9.44 4.94 0.00 3.21 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 55 E 7.93 3.71 0.00 1.58 1.56 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 1.57 1.47 0.00 56 H 8.17 4.69 0.00 3.36 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.31 4.63 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.73 0.00 3.83 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 59 G 8.36 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 0.00 0.00 0.00 60 V 8.91 3.97 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 0.77 0.00 0.00 0.89 0.00 0.00 61 V 8.86 4.47 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 0.99 0.00 0.00 1.00 0.00 0.00 62 T 8.49 4.80 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 0.97 0.00 0.00 63 V 8.77 4.37 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 0.96 0.00 0.00 0.88 0.00 0.00 64 E 8.84 4.71 0.00 2.12 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 2.43 2.53 0.00 65 L 8.59 5.30 0.00 1.62 1.78 0.37 1.04 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 66 E 9.22 4.41 0.00 2.03 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 2.44 2.53 0.00 67 P 0.00 4.39 0.00 2.08 2.05 0.00 3.75 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 2.16 0.00 68 P 0.00 4.36 0.00 1.78 0.49 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.59 0.00 69 C 8.86 4.57 0.00 3.00 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 70 R 8.53 4.52 0.00 1.33 1.78 0.00 3.09 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 71 F 8.42 4.92 0.00 3.06 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 72 V 8.45 4.38 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 0.78 0.00 0.00 0.85 0.00 0.00 73 I 8.32 4.73 1.89 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 1.09 1.12 0.99 0.00 0.00 74 D 8.67 4.96 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.73 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 1.28 0.00 0.00 76 P 0.00 4.18 0.00 2.05 2.16 0.00 3.65 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 2.02 2.07 0.00 77 T 7.35 4.18 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 1.20 0.00 0.00 78 G 8.00 3.68 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 0.00 0.00 0.00 79 P 0.00 4.62 0.00 2.05 2.04 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 80 Q 9.06 4.59 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 81 I 8.26 4.26 1.73 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 1.19 0.40 0.28 0.00 0.00 82 K 8.16 4.47 0.00 0.79 1.11 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.81 1.10 7.81 83 Y 8.60 4.81 0.00 3.00 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 84 L 9.14 5.07 0.00 1.85 1.68 0.58 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.32 5.01 0.00 3.00 2.91 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 86 F 8.78 4.92 0.00 3.32 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 87 V 8.70 4.33 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 1.00 0.00 0.00 1.15 0.00 0.00 88 K 8.47 3.84 0.00 1.76 1.78 0.00 2.05 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 89 N 9.04 4.34 0.00 2.94 2.94 0.00 0.00 7.00 7.85 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 90 L 7.50 3.96 0.00 1.74 1.47 0.74 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.19 4.68 0.00 2.94 2.85 0.00 0.00 6.24 6.96 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 92 N 8.35 4.22 0.00 2.67 2.82 0.00 0.00 6.43 6.74 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 93 L 7.78 3.86 0.00 1.68 1.73 0.89 0.96 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 94 R 8.11 3.72 0.00 1.56 0.97 0.00 2.83 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.40 0.00 95 R 8.11 3.89 0.00 1.67 1.46 0.00 3.03 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.43 0.00 96 G 8.35 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 97 A 8.02 4.07 1.49 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 0.00 0.00 98 V 8.16 3.68 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 1.17 0.00 0.00 1.30 0.00 0.00 99 L 8.29 4.10 0.00 1.94 1.73 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.39 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 3.94 0.00 3.24 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 0.00 102 I 8.28 3.90 1.81 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 1.58 0.67 0.77 0.00 0.00 103 G 8.42 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 0.00 0.00 0.00 104 A 7.87 3.98 1.19 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 0.00 105 T 7.69 3.88 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 1.21 0.00 0.00 106 V 8.18 3.65 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 1.10 0.00 0.00 1.09 0.00 0.00 107 R 7.87 4.02 0.00 2.00 2.04 0.00 3.08 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 108 L 7.63 4.29 0.00 1.76 1.74 0.88 0.87 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 0.00 109 Q 7.82 4.24 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.52 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.