NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5332 8.3644 120.2004 54.0497 43.2117 175.3071 8 Y 4.2675 8.0435 120.5540 56.3505 39.0538 172.8963 9 I 4.0614 8.0160 128.7820 58.4297 39.0978 173.0077 10 P 4.3209 0.0000 0.0000 62.5785 31.8201 176.9472 11 E 4.6650 8.2142 119.7321 54.0796 32.0764 174.8174 12 P 4.4866 0.0000 0.0000 62.2102 30.4671 179.4063 *14 D 4.2936 9.0145 129.4236 55.2442 41.5094 173.7981 15 L 4.6056 8.2358 125.6761 54.1713 42.7406 178.3177 16 S 4.2244 8.2155 114.4928 61.2099 62.6160 175.4159 17 L 4.4272 7.7400 117.4247 54.2058 41.7071 176.0646 18 V 3.8606 8.0153 120.4694 62.0652 31.9981 175.0313 19 D 4.8141 8.5102 127.0216 52.5048 41.7484 175.9373 20 L 4.3911 8.1787 124.1526 53.0943 42.9316 176.0853 21 P 4.4074 0.0000 0.0000 62.6682 33.1837 177.5709 22 E 3.9809 8.7016 121.5039 59.3079 29.5017 179.2086 23 S 4.0725 8.1092 113.1907 61.2684 62.9447 175.9753 24 L 4.1165 7.7749 123.2839 57.9571 42.0317 178.4638 25 I 3.6834 7.5107 119.4580 64.5709 36.8149 178.2642 26 Q 3.9562 8.1763 117.8773 58.4115 28.8955 177.5175 27 L 4.5610 8.0823 116.5911 54.5211 42.2894 178.1208 28 S 4.0648 8.2355 118.0685 62.1323 62.7088 176.8147 29 E 3.9455 8.1192 120.2421 59.2639 29.3468 179.2415 30 R 3.8147 7.9397 117.6370 59.4305 30.0843 178.8165 31 I 3.5653 7.6026 118.8871 64.4069 37.0800 178.3371 32 A 3.8579 8.1306 121.7308 54.9783 18.2062 178.9313 33 E 2.5400 7.7554 118.1631 59.2846 29.5825 178.8327 34 N 4.2684 7.8362 116.5611 56.5228 39.0069 176.8153 35 V 3.5832 8.0083 120.0883 66.3944 31.4650 177.4405 36 H 4.3210 8.5307 118.0441 59.4611 29.6382 177.0611 37 E 4.0056 8.3630 120.4171 59.2524 29.3067 179.5259 38 V 3.5400 7.7965 118.1768 65.8688 31.7012 177.6845 39 W 4.1863 8.3827 127.8702 60.5304 30.3529 177.8322 40 A 3.0709 8.3239 120.6801 54.6325 17.6589 179.2045 41 K 3.6680 7.8817 116.8126 60.4403 32.5524 177.8935 42 A 3.7625 7.7921 119.5614 55.8479 17.8433 179.3190 43 R 3.6235 7.4936 116.4061 59.3059 30.5897 179.1547 44 I 4.1337 7.6813 119.2187 64.2963 36.7706 178.0054 45 D 4.9476 7.7541 117.0053 54.0945 40.9071 176.8186 46 E 4.6272 8.6474 119.4128 55.7880 30.8754 177.1681 47 G 3.9553 8.5882 105.2922 45.6073 0.0000 174.6921 48 W 4.6164 7.7409 119.9113 57.0820 29.8765 175.5719 49 T 4.8112 8.9299 112.3183 60.5137 72.1801 172.3431 50 Y 5.4771 8.3599 123.2015 57.2126 39.8857 175.0642 51 G 3.7763 6.5415 109.9179 45.6389 0.0000 173.0585 52 E 3.9979 8.8344 126.1951 58.1791 30.0122 176.7036 53 K 4.6290 7.4663 116.7387 53.9511 34.4505 176.4339 54 R 4.0355 8.6126 124.8654 56.7085 30.6884 176.2058 55 D 4.9064 9.3539 127.3285 51.6608 40.0971 175.3555 56 D 4.7107 8.6462 120.9308 57.2472 41.6094 177.9602 57 I 3.7372 7.5848 118.8528 64.3761 37.3822 176.2011 58 H 4.4544 8.3474 115.4000 55.0114 29.2125 175.9534 59 K 2.0000 7.2942 117.4985 57.1820 28.8924 176.1996 60 K 5.0604 7.9557 118.1794 55.0997 33.9400 175.4013 61 H 5.2287 9.5338 125.1816 53.5355 31.6311 173.0643 62 P 4.6762 0.0000 0.0000 64.5243 31.4706 176.3475 63 C 4.7925 8.5672 115.5972 59.9558 29.1310 174.1824 64 L 4.6036 8.0950 121.3098 54.5391 40.2739 175.9494 65 V 4.5806 7.2844 110.7481 58.3192 35.9572 174.5491 66 P 4.4524 0.0000 0.0000 62.9790 32.0155 176.9135 67 Y 3.8861 8.3156 123.0469 61.0680 38.6680 178.4017 68 D 4.4811 8.2553 117.0162 56.2815 40.9455 176.5244 69 E 4.4263 7.9508 117.3735 55.8137 30.4177 176.4429 70 L 4.0353 7.2959 119.4666 53.9049 42.3959 175.4053 71 P 4.2943 0.0000 0.0000 62.3660 32.0386 177.0312 72 E 3.8173 8.9987 122.8507 59.6708 29.2194 178.9472 73 E 3.9180 8.1211 118.5964 59.4051 29.7564 178.5676 74 E 4.0089 8.3271 118.5965 59.3198 29.4418 179.5152 75 K 4.0219 7.8962 118.1225 59.2617 32.0695 179.0062 76 E 3.9492 8.5089 119.2557 59.5747 29.3733 178.4689 77 Y 4.0738 7.9541 119.4183 61.1044 38.7898 178.1310 78 D 4.2340 8.2298 119.4176 57.4560 40.7153 179.1220 79 R 3.9108 7.9736 117.5152 59.2449 30.1335 178.6001 80 N 4.4105 8.0338 115.3716 56.5193 38.8120 177.1295 81 T 3.8256 7.7626 117.2393 66.5023 68.6084 176.3848 82 A 4.0073 7.5615 118.5830 53.6538 18.1473 178.5547 *84 N 4.5789 7.9868 117.7719 54.5436 40.6337 176.9953 85 T 3.9380 7.9324 113.2336 66.7793 68.8932 175.9940 86 I 3.9119 7.6737 121.5695 63.9880 37.4082 178.4832 87 K 4.1567 7.5732 118.4561 56.6078 31.2926 179.3005 *89 V 3.9342 7.9942 120.0170 62.8894 33.3236 177.3140 90 K 4.4996 7.9420 119.9151 58.7483 32.3052 178.6635 91 K 3.9619 8.2956 119.5208 59.5068 32.1098 177.4284 92 L 4.2926 7.9182 115.0308 55.3741 41.3893 177.0220 93 G 3.8499 8.2814 106.9834 45.9323 0.0000 173.4615 94 F 4.7331 7.8241 116.3046 54.9717 41.2022 175.8275 95 R 4.1775 8.4813 123.9967 56.0872 30.6293 176.3297 96 I 4.5738 8.1581 121.5872 59.6955 39.8541 174.8416 97 E 4.6461 8.5199 124.2373 54.0660 33.3876 175.3386 98 K 3.9422 8.6860 124.7515 56.5545 32.7124 176.4121 99 E 4.2919 8.5841 125.6945 56.4088 30.2887 176.5275 100 D 4.3335 8.2531 119.3527 53.7677 39.6028 175.2354 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 7 D 8.36 4.53 0.00 2.69 2.82 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 8 Y 8.04 4.27 0.00 2.91 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 9 I 8.02 4.06 1.82 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 1.40 0.91 0.83 0.00 0.00 10 P 0.00 4.32 0.00 2.05 1.70 0.00 3.34 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 11 E 8.21 4.66 0.00 1.91 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 2.16 2.24 0.00 12 P 0.00 4.49 0.00 2.04 1.31 0.00 3.69 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 2.02 2.07 0.00 *14 D 9.01 4.29 0.00 2.66 2.65 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 15 L 8.24 4.61 0.00 1.72 1.64 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.22 4.22 0.00 3.98 4.07 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 0.00 0.00 0.00 0.00 17 L 7.74 4.43 0.00 1.63 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.02 3.86 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 0.83 0.00 0.00 0.99 0.00 0.00 19 D 8.51 4.81 0.00 2.67 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 20 L 8.18 4.39 0.00 1.63 1.58 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.41 0.00 2.15 1.97 0.00 3.59 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 2.11 2.14 0.00 22 E 8.70 3.98 0.00 2.03 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 2.37 2.36 0.00 23 S 8.11 4.07 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.12 0.00 1.77 1.86 0.90 1.02 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 25 I 7.51 3.68 1.97 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 1.51 0.63 0.90 0.00 0.00 26 Q 8.18 3.96 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 27 L 8.08 4.56 0.00 1.81 1.63 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.24 4.06 0.00 3.92 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 29 E 8.12 3.95 0.00 1.99 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 2.46 2.39 0.00 30 R 7.94 3.81 0.00 1.90 1.94 0.00 3.26 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 31 I 7.60 3.57 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.85 0.00 0.00 32 A 8.13 3.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.76 2.54 0.00 1.36 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 2.19 2.20 0.00 34 N 7.84 4.27 0.00 2.84 2.83 0.00 0.00 6.92 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 35 V 8.01 3.58 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 0.95 0.00 0.00 0.95 0.00 0.00 36 H 8.53 4.32 0.00 3.48 3.70 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.36 4.01 0.00 2.18 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 2.63 2.49 0.00 38 V 7.80 3.54 2.30 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 1.02 0.00 0.00 0.97 0.00 0.00 39 W 8.38 4.19 0.00 3.40 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 40 A 8.32 3.07 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 41 K 7.88 3.67 0.00 1.78 2.01 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 42 A 7.79 3.76 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 43 R 7.49 3.62 0.00 0.88 1.34 0.00 2.84 0.00 0.00 2.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.64 0.00 44 I 7.68 4.13 1.99 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 1.52 0.70 0.91 0.00 0.00 45 D 7.75 4.95 0.00 2.76 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 46 E 8.65 4.63 0.00 2.36 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 0.00 2.28 2.29 0.00 47 G 8.59 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 48 W 7.74 4.62 0.00 3.19 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 49 T 8.93 4.81 4.33 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 1.26 0.00 0.00 50 Y 8.36 5.48 0.00 3.04 2.99 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 51 G 6.54 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.83 4.00 0.00 1.90 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 0.00 2.31 2.43 0.00 53 K 7.47 4.63 0.00 1.63 1.67 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.37 7.81 54 R 8.61 4.04 0.00 1.75 1.85 0.00 3.04 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 55 D 9.35 4.91 0.00 2.69 2.49 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 56 D 8.65 4.71 0.00 2.80 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 57 I 7.58 3.74 1.97 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 1.34 0.46 0.59 0.00 0.00 58 H 8.35 4.45 0.00 3.08 3.20 0.00 5.81 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.29 2.00 0.00 1.34 0.74 0.00 1.20 0.00 0.00 1.46 0.00 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.24 7.81 60 K 7.96 5.06 0.00 1.79 1.70 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 61 H 9.53 5.23 0.00 3.36 3.36 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.68 0.00 2.33 2.31 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 63 C 8.57 4.79 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 64 L 8.10 4.60 0.00 2.00 1.76 1.01 0.43 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 65 V 7.28 4.58 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 0.53 0.00 0.00 1.03 0.00 0.00 66 P 0.00 4.45 0.00 2.20 2.04 0.00 3.76 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 2.25 2.11 0.00 67 Y 8.32 3.89 0.00 3.17 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 68 D 8.26 4.48 0.00 2.74 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 69 E 7.95 4.43 0.00 2.03 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 2.22 0.00 70 L 7.30 4.04 0.00 1.40 1.38 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.29 0.00 2.14 1.95 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 72 E 9.00 3.82 0.00 2.04 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 0.00 2.38 2.57 0.00 73 E 8.12 3.92 0.00 2.06 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 2.38 2.40 0.00 74 E 8.33 4.01 0.00 2.11 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 2.45 0.00 75 K 7.90 4.02 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.61 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.67 1.17 7.81 76 E 8.51 3.95 0.00 2.30 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 0.00 2.34 2.33 0.00 77 Y 7.95 4.07 0.00 3.08 3.16 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 78 D 8.23 4.23 0.00 3.05 2.78 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 0.00 0.00 0.00 79 R 7.97 3.91 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 80 N 8.03 4.41 0.00 2.67 2.79 0.00 0.00 7.09 7.59 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 81 T 7.76 3.83 4.03 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 1.07 0.00 0.00 82 A 7.56 4.01 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 *84 N 7.99 4.58 0.00 2.99 2.86 0.00 0.00 7.05 7.05 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 85 T 7.93 3.94 4.36 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 1.16 0.00 0.00 86 I 7.67 3.91 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.24 0.89 0.00 0.00 87 K 7.57 4.16 0.00 1.99 1.81 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.36 7.81 *89 V 7.99 3.93 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 0.84 0.00 0.00 90 K 7.94 4.50 0.00 1.90 1.94 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 91 K 8.30 3.96 0.00 1.83 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 92 L 7.92 4.29 0.00 2.05 1.90 0.97 1.02 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 93 G 8.28 3.85 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 0.00 94 F 7.82 4.73 0.00 3.34 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 95 R 8.48 4.18 0.00 1.84 1.88 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 96 I 8.16 4.57 1.89 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 1.43 0.66 0.91 0.00 0.00 97 E 8.52 4.65 0.00 1.90 1.80 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 2.22 2.30 0.00 98 K 8.69 3.94 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 99 E 8.58 4.29 0.00 2.00 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 2.32 2.30 0.00 100 D 8.25 4.33 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.