NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3239 8.3331 119.6887 55.7426 30.0080 172.4434 3 G 3.9011 8.0945 105.5483 44.2564 0.0000 168.7154 4 G 4.0802 8.2343 106.4873 44.2645 0.0000 169.7429 5 F 4.5009 8.2457 122.3990 57.1846 39.9405 174.9374 6 S 4.2074 7.7414 122.8840 57.2527 62.4590 172.6942 7 G 2.3880 6.7789 115.5541 44.0084 0.0000 169.5600 8 P 4.3091 0.0000 0.0000 62.7390 32.0517 175.2734 9 S 4.4319 8.5684 113.9784 60.1846 64.9682 175.8776 *23 G 3.9923 7.9145 106.1963 45.2872 0.0000 173.3133 24 S 4.3120 8.0109 115.6573 58.1015 63.5793 173.2452 25 V 4.4315 8.2621 124.7985 61.7465 32.5374 174.9590 26 T 4.7316 8.6316 125.4075 62.1944 70.4020 174.8899 27 T 4.3007 8.2882 114.4982 61.4170 70.1587 175.6099 28 V 3.6099 9.1956 123.7528 66.4381 31.3054 178.2020 29 E 3.9507 8.2449 118.1492 59.3541 29.7957 178.6755 30 S 4.2696 8.1503 113.7301 61.0694 63.2057 176.2348 31 A 3.9894 8.2150 124.5733 54.8992 17.8274 179.6212 32 K 4.0455 7.7630 116.3700 58.7329 32.1523 178.5423 33 S 4.5434 7.7327 112.4777 57.6753 63.6841 174.2531 34 L 4.3382 6.9761 122.8788 53.7718 42.4536 176.5882 35 R 4.0740 8.1414 120.2325 55.8475 30.6835 175.8217 36 D 4.2887 8.4236 122.1900 55.7011 42.0382 175.2538 37 D 4.3810 8.7288 122.3143 56.1417 39.8234 173.8762 38 T 4.6954 7.3592 114.9139 61.2966 72.2500 174.6837 39 W 4.7077 9.0800 135.0000 57.3585 31.4568 175.4341 40 V 4.4532 8.0862 126.0260 61.4291 35.4580 173.7269 41 T 4.8902 8.1865 119.8752 61.6714 71.7827 173.0978 42 L 5.1954 8.6903 124.9741 52.9577 46.2149 175.6449 43 R 5.1141 8.8665 118.9623 54.0735 33.4907 176.2915 44 G 3.7266 8.0913 110.6023 46.1991 0.0000 171.0625 45 N 5.2128 7.5098 118.8469 51.3581 43.2348 174.0400 46 I 4.7200 8.3916 123.4024 61.1005 37.9872 176.4624 47 V 4.3713 8.5349 120.4332 61.4196 33.2508 175.7235 48 E 4.7604 7.9627 119.0715 55.2489 32.9512 173.6332 49 R 4.7102 8.7030 126.3288 54.9284 30.7364 175.8913 50 I 4.0756 8.4705 120.5176 62.0409 38.9616 175.3800 51 S 4.3769 6.9127 112.5867 58.0674 65.6521 174.0123 52 D 4.3607 8.8180 120.6024 56.0955 40.9857 176.7907 53 D 4.8004 8.8927 124.5094 54.7042 39.4021 172.3438 54 L 5.1414 7.3293 122.1378 53.5427 44.0989 174.8128 55 Y 5.2404 9.2208 123.1997 56.2402 42.6932 174.3228 56 V 4.7142 9.0579 121.7591 61.5957 33.5316 174.2212 57 F 5.3156 9.4078 130.8061 56.3200 41.8515 173.9527 58 K 4.9977 8.5972 127.0365 54.6101 35.5433 174.4371 59 D 5.0308 8.6375 124.9281 51.1713 42.8947 176.1129 60 A 3.9988 8.7955 120.5333 54.6740 18.3350 178.5837 61 S 4.4132 8.7372 109.5518 57.8296 64.0991 174.3719 62 G 3.9594 6.3939 108.9677 45.7892 0.0000 170.6528 63 T 5.2677 7.8101 108.3047 60.1640 71.8969 173.1601 64 I 4.6619 8.6586 121.4839 59.8866 42.2120 173.3946 65 N 5.2793 8.7515 124.4019 53.0096 40.2426 174.4689 66 V 4.8268 9.0436 115.4741 59.6208 36.1385 174.0356 67 D 5.2686 9.1755 124.9708 53.0107 42.7272 175.1801 68 I 4.5378 8.7220 127.5697 59.1513 39.3395 175.4000 69 D 4.5497 8.5237 126.9503 53.9044 41.8822 176.2865 70 H 4.4036 9.2138 123.6762 59.6238 29.4755 177.1673 71 K 4.2181 8.5745 118.5663 58.8667 32.5618 178.6755 72 R 3.9817 7.7471 119.0593 58.1789 30.2813 178.2342 73 W 4.2511 7.6477 119.2338 57.7147 29.3155 176.1483 74 N 4.0901 9.4531 114.1313 54.3194 35.5525 175.2356 75 G 3.9831 8.4157 104.5645 45.4442 0.0000 173.9192 76 V 3.9714 7.6263 120.0298 62.3300 32.2594 175.0432 77 T 4.4446 8.3860 123.5619 61.6904 70.1357 173.9723 78 V 4.5761 8.0848 125.5190 61.1020 34.1913 174.3222 79 T 4.7112 8.8332 116.0259 58.7358 71.5515 173.1144 80 P 4.9218 0.0000 0.0000 64.5905 31.3121 178.1541 81 K 4.1441 7.5519 116.1173 58.4390 33.0309 177.0440 82 D 4.5229 7.7797 120.8954 54.2686 41.4626 175.9163 83 T 4.4680 8.4014 120.9025 63.4357 69.9690 174.1248 84 V 4.9652 9.1697 118.7303 59.5557 36.4084 173.8954 85 E 5.1911 9.3630 124.6292 54.4739 31.7915 174.6750 86 I 4.9325 8.5542 120.0914 59.1388 41.0261 174.3904 87 Q 4.4256 8.5950 122.4689 53.8341 32.7227 175.7035 88 G 3.1778 6.1007 108.6252 45.7383 0.0000 170.7631 89 E 5.0445 7.3400 118.4536 54.2039 32.3826 176.1010 90 V 3.9480 8.8914 124.7322 63.0114 33.0278 174.1335 91 D 5.1941 9.3403 128.5074 52.5116 43.1216 174.2776 92 K 5.0658 9.4580 127.9914 54.7838 34.7534 174.8439 93 D 5.1319 8.8812 126.6092 51.6578 44.5178 176.4859 94 W 4.2611 9.0093 116.4044 59.0154 27.9154 176.4986 95 N 4.3427 6.4869 113.1835 51.5939 37.2539 173.6514 96 S 4.4746 7.2277 112.5669 57.6959 65.9437 174.1275 97 V 4.9160 7.9396 120.0024 60.3964 34.2235 174.2263 98 E 4.8356 8.9992 121.2910 55.5756 35.0653 173.6167 99 I 4.6850 8.2759 121.8335 59.8330 39.7681 174.9404 100 D 4.8944 8.9151 128.0197 53.0568 41.7976 175.8577 101 V 4.0028 8.3044 125.3328 62.5496 31.4563 176.0334 102 K 4.5062 8.9919 127.8918 57.7928 33.5029 177.0928 103 Q 4.5646 7.5299 116.9315 54.7591 31.9107 173.4086 104 I 5.1162 8.1522 122.1284 59.1815 41.0409 174.3258 105 R 4.7989 8.8693 124.6894 54.2717 33.0399 174.7002 106 K 4.6771 8.6921 120.3461 56.7226 33.2882 177.4131 107 V 4.1166 8.7116 116.0643 61.8186 32.4336 174.9398 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 Q 8.33 4.32 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 3 G 8.09 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 0.00 0.00 0.00 4 G 8.23 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 0.00 0.00 0.00 0.00 5 F 8.25 4.50 0.00 2.86 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 6 S 7.74 4.21 0.00 3.75 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 7 G 6.78 2.39 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 8 P 0.00 4.31 0.00 2.09 1.94 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.49 0.00 9 S 8.57 4.43 0.00 3.85 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 *23 G 7.91 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 24 S 8.01 4.31 0.00 3.90 3.82 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 0.00 0.00 0.00 25 V 8.26 4.43 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 0.87 0.00 0.00 0.94 0.00 0.00 26 T 8.63 4.73 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 1.19 0.00 0.00 27 T 8.29 4.30 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 28 V 9.20 3.61 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 1.04 0.00 0.00 1.23 0.00 0.00 29 E 8.24 3.95 0.00 2.15 1.97 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 2.32 2.36 0.00 30 S 8.15 4.27 0.00 4.13 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 31 A 8.21 3.99 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 32 K 7.76 4.05 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 33 S 7.73 4.54 0.00 4.02 3.96 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 34 L 6.98 4.34 0.00 1.74 1.63 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.14 4.07 0.00 1.77 1.83 0.00 3.26 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 36 D 8.42 4.29 0.00 2.80 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 37 D 8.73 4.38 0.00 2.85 2.73 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 38 T 7.36 4.70 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 1.22 0.00 0.00 39 W 9.08 4.71 0.00 3.33 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 40 V 8.09 4.45 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 0.83 0.00 0.00 0.89 0.00 0.00 41 T 8.19 4.89 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 1.22 0.00 0.00 42 L 8.69 5.20 0.00 1.18 1.61 0.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.87 5.11 0.00 1.69 1.83 0.00 3.33 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 44 G 8.09 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 45 N 7.51 5.21 0.00 2.49 2.72 0.00 0.00 7.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.39 4.72 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 1.08 0.00 0.00 47 V 8.53 4.37 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 0.63 0.00 0.00 0.93 0.00 0.00 48 E 7.96 4.76 0.00 2.02 1.76 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 2.24 2.26 0.00 49 R 8.70 4.71 0.00 1.92 1.76 0.00 3.32 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.00 50 I 8.47 4.08 1.83 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 1.31 0.69 0.89 0.00 0.00 51 S 6.91 4.38 0.00 3.91 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 0.00 52 D 8.82 4.36 0.00 2.65 2.64 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 53 D 8.89 4.80 0.00 2.97 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 54 L 7.33 5.14 0.00 1.69 1.42 1.04 1.24 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 55 Y 9.22 5.24 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 4.71 2.15 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 1.03 0.00 0.00 1.03 0.00 0.00 57 F 9.41 5.32 0.00 3.14 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 58 K 8.60 5.00 0.00 1.67 1.39 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.27 7.81 59 D 8.64 5.03 0.00 2.76 2.74 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 0.00 0.00 0.00 0.00 60 A 8.80 4.00 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 61 S 8.74 4.41 0.00 3.97 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 62 G 6.39 3.96 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 0.00 0.00 0.00 63 T 7.81 5.27 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 1.19 0.00 0.00 64 I 8.66 4.66 1.92 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 1.22 1.36 1.02 0.00 0.00 65 N 8.75 5.28 0.00 2.68 2.72 0.00 0.00 6.71 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 66 V 9.04 4.83 1.96 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 0.57 0.00 0.00 1.01 0.00 0.00 67 D 9.18 5.27 0.00 2.71 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 68 I 8.72 4.54 1.74 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.69 -0.07 0.00 0.00 69 D 8.52 4.55 0.00 2.76 2.51 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 0.00 70 H 9.21 4.40 0.00 3.41 3.42 0.00 5.92 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 71 K 8.57 4.22 0.00 1.97 1.98 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.73 1.46 7.81 72 R 7.75 3.98 0.00 1.15 1.66 0.00 3.31 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 73 W 7.65 4.25 0.00 3.30 3.31 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 74 N 9.45 4.09 0.00 2.85 2.88 0.00 0.00 6.97 7.65 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 75 G 8.42 3.98 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 0.00 0.00 0.00 76 V 7.63 3.97 2.35 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 0.88 0.00 0.00 1.08 0.00 0.00 77 T 8.39 4.44 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 1.13 0.00 0.00 78 V 8.08 4.58 2.19 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 0.96 0.00 0.00 1.16 0.00 0.00 79 T 8.83 4.71 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 80 P 0.00 4.92 0.00 2.06 2.16 0.00 3.72 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 81 K 7.55 4.14 0.00 1.85 1.93 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.40 7.81 82 D 7.78 4.52 0.00 2.87 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 83 T 8.40 4.47 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 84 V 9.17 4.97 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 0.77 0.00 0.00 1.21 0.00 0.00 85 E 9.36 5.19 0.00 1.99 1.78 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 0.00 2.17 2.34 0.00 86 I 8.55 4.93 1.51 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.18 0.66 0.00 0.00 87 Q 8.60 4.43 0.00 1.91 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 88 G 6.10 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 0.00 0.00 0.00 89 E 7.34 5.04 0.00 1.98 1.85 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 2.35 2.53 0.00 90 V 8.89 3.95 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 0.99 0.00 0.00 0.85 0.00 0.00 91 D 9.34 5.19 0.00 2.81 2.47 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 92 K 9.46 5.07 0.00 1.70 1.63 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.35 7.81 93 D 8.88 5.13 0.00 2.63 2.48 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 94 W 9.01 4.26 0.00 3.59 3.25 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 0.00 95 N 6.49 4.34 0.00 1.93 1.42 0.00 0.00 5.85 7.64 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 96 S 7.23 4.47 0.00 3.79 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 97 V 7.94 4.92 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 0.73 0.00 0.00 0.89 0.00 0.00 98 E 9.00 4.84 0.00 1.87 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 2.19 2.24 0.00 99 I 8.28 4.69 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.62 0.00 0.00 100 D 8.92 4.89 0.00 2.65 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 0.00 101 V 8.30 4.00 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 0.50 0.00 0.00 0.69 0.00 0.00 102 K 8.99 4.51 0.00 1.88 1.99 0.00 1.88 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.93 7.81 103 Q 7.53 4.56 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 104 I 8.15 5.12 1.54 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.46 0.00 0.00 105 R 8.87 4.80 0.00 1.87 1.94 0.00 2.83 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 106 K 8.69 4.68 0.00 1.69 1.80 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 107 V 8.71 4.12 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 0.61 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.