NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8136 8.1676 115.8816 57.1036 40.2505 176.9578 11 H 3.9575 5.2900 117.6415 54.1498 28.8242 170.3231 12 E 4.3966 9.4494 123.5204 57.6918 29.8978 176.9006 13 M 4.5899 7.0897 114.6640 55.0213 32.1083 176.8157 14 R 4.5865 7.6148 117.1474 55.6389 32.9421 175.4965 15 E 4.0285 8.0787 117.1042 55.1359 30.1484 174.5316 16 P 4.2717 0.0000 0.0000 62.4706 32.4012 175.0156 17 R 4.1725 7.4212 112.8316 55.5929 32.9775 173.7585 18 I 4.3245 8.5191 121.9331 60.5886 38.1965 174.8538 19 E 4.4996 8.7858 129.3827 54.4794 31.1715 172.3852 20 K 4.4331 8.7678 131.7308 55.4588 34.0733 174.6231 21 V 4.6671 7.6982 119.0811 60.1048 34.5629 174.0921 22 V 4.3331 8.2011 129.2468 62.1691 32.8033 174.9345 23 V 5.1316 8.3807 122.3186 59.2721 33.4855 174.4523 24 H 5.0461 8.5839 124.8089 54.5093 33.5893 172.1168 25 M 4.5049 8.3335 123.9864 53.4269 33.4716 175.1889 26 G 4.0638 8.1469 112.1962 46.0878 0.0000 171.6323 27 I 4.1839 7.6902 127.5730 60.1571 39.6957 176.0987 28 G 4.0444 7.6625 111.2836 45.3782 0.0000 172.6807 29 H 4.4058 7.7982 117.2950 55.4812 30.4319 173.5193 *35 A 4.1831 7.0910 123.0908 51.8926 19.2228 176.1824 36 N 4.1681 8.8177 112.6317 56.1410 36.7297 176.5302 37 A 4.1758 7.9395 122.8584 54.7528 18.4177 178.8340 38 E 3.8445 8.7416 118.0786 59.9867 29.6590 179.1179 39 D 4.4432 7.5176 119.1243 57.7707 40.9578 179.6430 40 I 3.8002 7.6092 112.9450 63.9117 37.5429 178.2183 41 L 4.1063 7.9415 120.5161 57.3666 41.5356 179.3265 42 G 3.6528 8.2922 105.9126 48.0800 0.0000 175.6410 43 E 4.0410 7.8094 119.6068 58.9368 29.5757 179.0381 44 I 3.9436 8.2714 118.5027 63.6114 38.0540 176.6334 45 T 4.4571 9.0106 109.1503 63.0108 69.8225 174.1223 46 G 3.4258 6.8700 111.9644 43.9679 0.0000 172.9478 47 Q 4.5720 7.5253 117.3267 54.2609 31.6747 174.3658 48 M 3.9573 8.5420 118.7388 55.7539 32.4076 174.6483 49 P 4.8476 0.0000 0.0000 61.9110 33.8300 174.7449 50 V 4.4638 8.3780 119.4056 60.6769 34.2445 175.2396 51 R 4.2739 8.7616 125.9563 57.2966 31.2113 176.8039 52 T 4.5097 8.5672 117.2922 61.4553 70.3852 173.9978 53 K 5.2581 8.7607 124.8033 55.6962 33.3303 175.5406 54 A 4.8766 8.5029 122.0065 50.2682 22.2195 175.5928 55 K 4.5559 8.4688 117.5752 55.6392 34.9713 174.3741 56 R 4.1600 8.6441 125.3279 56.2445 29.8674 176.2122 57 T 4.4821 8.2361 117.6927 62.9932 69.6474 174.3816 58 V 4.5505 8.6778 124.3759 60.9132 35.0170 176.0145 59 G 3.7002 8.7504 112.5788 48.4985 0.0000 175.0585 60 E 4.2621 8.0956 119.1482 58.1497 28.2767 176.1036 61 F 4.1786 7.8033 113.1266 60.4417 38.8647 174.9022 62 D 4.9500 7.8198 117.2539 51.9311 40.3354 175.5821 63 I 4.1423 7.6205 114.1528 61.2495 39.4055 177.2778 64 R 3.8529 7.9057 121.6864 56.1976 29.4366 174.6276 65 E 3.9726 8.2015 129.2376 58.6461 29.2298 176.3349 66 G 3.8953 8.0188 109.9748 46.4509 0.0000 172.0303 67 D 4.5038 8.3751 120.9505 51.6574 42.2798 173.7305 68 P 4.5492 0.0000 0.0000 62.8994 31.8640 176.5683 69 I 4.5700 9.0371 125.6352 59.5359 39.7887 174.7333 70 G 4.4197 7.6123 107.3071 43.2294 0.0000 172.3045 71 A 5.7744 8.1255 121.2704 49.3442 23.3567 174.7281 72 K 5.0474 8.2222 116.4484 56.2109 36.7396 175.3766 73 V 4.5612 8.2890 120.2895 61.8070 35.0995 173.2134 74 T 4.6161 8.5559 118.8257 60.3633 69.8337 173.6989 75 L 4.6942 8.2672 126.9741 53.0819 43.8170 176.1921 76 R 4.7046 8.0582 120.7851 54.7395 34.0284 176.9736 77 D 4.1778 8.8602 119.5349 55.4317 39.3122 176.4154 78 E 3.9961 8.9142 121.7240 61.0410 29.1340 178.5306 79 M 4.0988 8.2239 117.8066 58.5176 31.9033 178.5647 80 A 4.2030 8.0435 120.7006 55.1113 18.7399 179.3302 81 E 3.9533 8.0911 116.6811 59.5160 29.5509 179.0437 82 E 4.1839 8.4724 118.8997 59.1617 29.8771 179.1982 83 F 4.4213 7.6237 120.5935 60.8531 39.8784 177.6765 84 L 4.1282 8.1974 118.3647 57.5349 41.0641 179.1324 85 Q 4.1853 8.1980 114.8668 56.7597 28.2456 176.2683 86 T 4.5299 7.7190 108.7914 61.7542 74.0613 175.6241 87 A 3.9419 7.7396 124.3705 54.5353 18.2432 179.1198 88 L 3.4952 7.9113 116.0782 57.7629 41.6354 178.0119 89 P 4.0878 0.0000 0.0000 65.5424 31.2494 177.5494 90 L 4.4095 8.0510 115.0671 53.9218 41.9392 176.0903 91 A 4.9009 7.8278 122.0913 50.4443 21.8616 175.1102 92 E 4.4225 8.2048 115.6758 58.5215 31.8318 176.5897 93 L 3.6978 6.8239 116.2428 52.3820 43.5820 175.7177 94 A 4.4877 8.6158 122.6315 52.5599 20.9893 174.4450 95 T 3.1670 8.7833 111.0855 62.9452 69.5677 173.5225 96 S 4.0592 8.7797 121.6837 60.1568 62.9664 172.9833 97 Q 4.4859 8.1558 117.6273 55.9095 28.5468 174.7906 98 F 4.8830 7.7431 114.3757 55.3069 41.1531 175.0413 99 D 4.6890 10.0078 123.4862 54.3641 41.6863 175.8798 100 D 4.6872 8.5391 119.6965 55.4279 41.2588 177.5882 101 T 4.5548 7.4250 114.3606 62.3447 68.8498 174.9115 102 G 3.9916 8.3847 109.0297 46.1407 0.0000 173.0814 103 N 5.2035 7.7762 116.4932 51.3178 41.5112 173.3572 104 F 4.7659 7.4287 109.1173 56.1945 41.1737 172.9702 105 S 5.0919 8.8164 116.4538 56.4383 64.9810 172.6784 106 F 4.9296 8.8621 120.6288 55.6972 41.5848 172.9474 107 G 4.1560 8.8224 102.4242 44.3568 0.0000 172.6025 *128 L 4.0224 8.4816 121.7722 55.1751 43.6331 176.6754 129 D 4.8212 8.7117 125.8358 52.7435 44.1119 176.1352 130 V 4.1236 8.1055 120.8629 61.8841 34.4083 173.9739 131 T 4.7667 8.7459 125.5389 61.6842 71.5576 174.0942 132 V 4.4080 7.7095 124.1655 61.0686 34.5145 173.6154 133 N 4.6788 8.6196 127.0016 52.3454 40.1867 173.5766 134 L 5.2993 8.1283 125.8262 53.2691 44.6430 175.7250 135 V 4.2322 7.8117 120.3920 61.3864 35.0924 171.4051 136 R 4.4614 8.1586 116.6713 54.8770 31.5534 177.4076 137 P 4.0376 0.0000 0.0000 64.8122 32.0101 178.3457 138 G 4.1058 7.7148 102.9187 45.4614 0.0000 175.3263 139 Y 4.2704 8.1005 123.5206 60.0007 39.1723 175.7272 140 R 4.1179 8.2629 119.2909 59.2181 29.9004 178.2689 141 V 3.5699 7.5312 116.3571 65.1544 31.2648 176.6607 142 A 5.0720 7.7229 119.4664 51.2910 19.3420 177.2265 143 K 4.2543 7.3542 115.4702 56.4265 34.3194 176.7112 144 R 4.1859 7.6374 114.8127 55.9236 30.1711 176.7152 145 D 4.4557 8.4866 117.4972 57.0217 41.3128 177.7395 146 K 4.0184 7.9697 118.4378 57.5952 32.6870 177.0014 147 A 3.9872 8.6855 123.9926 52.3288 16.2925 176.9404 148 S 4.4879 7.2273 114.2548 61.0048 63.7894 173.2860 149 R 4.5744 8.8412 119.2958 55.4330 33.7422 173.6456 150 S 4.7043 8.4698 118.0346 57.2726 63.6696 173.8236 151 I 3.9262 8.2057 126.8753 60.4054 37.7684 174.5411 152 P 4.4480 0.0000 0.0000 62.5711 32.1361 177.3548 153 T 3.9334 8.6796 112.2063 65.2558 68.1677 176.7614 154 K 4.0307 8.0109 119.8185 59.0903 32.2666 177.6912 155 H 4.6573 7.8543 115.0602 55.7267 30.1795 175.1671 156 R 4.2406 7.3166 118.9950 56.5671 30.9692 175.1451 157 L 4.5685 8.1737 120.4539 53.8721 43.7621 175.3525 158 N 4.9706 8.1117 122.5288 51.2014 41.5269 174.5999 159 P 4.3138 0.0000 0.0000 66.2863 31.4908 178.3053 160 A 3.8517 8.0745 118.5133 55.5938 17.9621 178.9780 161 D 4.4073 8.2340 115.8241 57.1214 40.8799 179.4245 162 A 4.1880 7.7214 120.8527 55.0601 18.8048 179.4151 163 V 3.1961 7.6156 116.5614 66.2124 31.3280 177.6833 164 A 3.9000 7.9541 120.0813 55.2703 17.9934 179.0222 165 F 4.1546 7.6964 116.2659 61.7064 39.5376 177.4255 166 I 3.5226 7.5739 117.4582 64.2944 37.2782 177.4090 167 E 4.8422 8.4372 121.8313 58.6522 29.1305 178.6146 168 S 4.6809 8.1099 111.8198 57.7375 64.4185 175.1076 169 T 4.7537 8.0072 113.5611 62.6988 70.7819 173.2122 170 Y 3.3566 7.8427 119.2434 57.5062 34.9805 168.5740 171 D 4.4109 6.7157 117.0149 53.9997 43.7853 175.5798 172 V 4.7950 7.9278 117.1077 61.1819 35.6488 177.8267 173 E 4.3212 9.0559 122.0988 56.7375 28.7226 177.3090 174 V 3.9287 7.5444 116.5798 64.0380 31.9161 174.9584 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 10 F 8.17 4.81 0.00 3.36 3.34 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 11 H 5.29 3.96 0.00 3.05 2.23 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.45 4.40 0.00 1.68 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 0.00 2.07 2.17 0.00 13 M 7.09 4.59 0.00 2.02 2.02 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 2.53 2.56 0.00 14 R 7.61 4.59 0.00 1.75 1.94 0.00 3.45 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 15 E 8.08 4.03 0.00 2.15 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 0.00 2.33 2.28 0.00 16 P 0.00 4.27 0.00 0.81 1.57 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 17 R 7.42 4.17 0.00 1.81 1.82 0.00 2.73 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 18 I 8.52 4.32 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.97 0.00 0.00 19 E 8.79 4.50 0.00 1.84 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 2.19 2.21 0.00 20 K 8.77 4.43 0.00 2.08 1.95 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.31 7.81 21 V 7.70 4.67 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 1.43 0.00 0.00 0.98 0.00 0.00 22 V 8.20 4.33 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 0.91 0.00 0.00 0.85 0.00 0.00 23 V 8.38 5.13 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 0.38 0.00 0.00 0.66 0.00 0.00 24 H 8.58 5.05 0.00 3.18 2.99 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.33 4.50 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 26 G 8.15 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 27 I 7.69 4.18 1.77 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 1.10 0.74 0.74 0.00 0.00 28 G 7.66 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 0.00 0.00 0.00 29 H 7.80 4.41 0.00 3.14 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.09 4.18 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 36 N 8.82 4.17 0.00 2.92 3.13 0.00 0.00 5.88 7.46 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 37 A 7.94 4.18 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 38 E 8.74 3.84 0.00 1.96 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 2.32 2.48 0.00 39 D 7.52 4.44 0.00 2.78 2.76 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 40 I 7.61 3.80 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 1.82 1.04 0.91 0.00 0.00 41 L 7.94 4.11 0.00 1.87 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.29 3.65 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 0.00 0.00 0.00 43 E 7.81 4.04 0.00 1.99 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 2.35 2.47 0.00 44 I 8.27 3.94 2.03 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 2.09 0.89 1.06 0.00 0.00 45 T 9.01 4.46 4.09 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 0.88 0.00 0.00 46 G 6.87 3.43 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 0.00 0.00 0.00 0.00 47 Q 7.53 4.57 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 48 M 8.54 3.96 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 49 P 0.00 4.85 0.00 2.02 2.02 0.00 3.42 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 50 V 8.38 4.46 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 1.04 0.00 0.00 0.91 0.00 0.00 51 R 8.76 4.27 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.57 4.51 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 53 K 8.76 5.26 0.00 1.63 1.74 0.00 1.73 0.00 0.00 2.36 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.50 4.88 1.22 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 0.00 0.00 55 K 8.47 4.56 0.00 1.62 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.64 4.16 0.00 1.99 2.00 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.24 4.48 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 1.24 0.00 0.00 58 V 8.68 4.55 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 0.96 0.00 0.00 0.99 0.00 0.00 59 G 8.75 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 0.00 0.00 0.00 60 E 8.10 4.26 0.00 2.14 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 2.31 2.34 0.00 61 F 7.80 4.18 0.00 3.03 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 62 D 7.82 4.95 0.00 2.88 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.14 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 1.06 0.00 0.00 64 R 7.91 3.85 0.00 1.76 2.11 0.00 3.20 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 65 E 8.20 3.97 0.00 2.02 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 2.29 2.32 0.00 66 G 8.02 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 67 D 8.38 4.50 0.00 2.64 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 68 P 0.00 4.55 0.00 1.94 2.04 0.00 3.62 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 2.01 2.11 0.00 69 I 9.04 4.57 1.98 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 1.14 1.10 0.93 0.00 0.00 70 G 7.61 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 71 A 8.13 5.77 1.17 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 0.00 0.00 0.00 72 K 8.22 5.05 0.00 1.76 1.88 0.00 1.44 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 8.29 4.56 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 0.82 0.00 0.00 0.85 0.00 0.00 74 T 8.56 4.62 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 1.16 0.00 0.00 75 L 8.27 4.69 0.00 1.53 1.54 0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.06 4.70 0.00 1.63 1.78 0.00 3.35 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 77 D 8.86 4.18 0.00 2.87 2.46 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 78 E 8.91 4.00 0.00 2.02 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 2.42 2.43 0.00 79 M 8.22 4.10 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 80 A 8.04 4.20 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 81 E 8.09 3.95 0.00 2.16 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 2.44 2.60 0.00 82 E 8.47 4.18 0.00 2.00 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 0.00 2.36 2.54 0.00 83 F 7.62 4.42 0.00 3.25 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 84 L 8.20 4.13 0.00 1.94 1.78 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.20 4.19 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 86 T 7.72 4.53 4.11 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 0.00 0.00 0.00 1.15 0.00 0.00 87 A 7.74 3.94 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 0.00 0.00 0.00 0.00 0.00 88 L 7.91 3.50 0.00 1.69 1.67 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.09 0.00 2.12 2.12 0.00 3.68 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 2.14 2.18 0.00 90 L 8.05 4.41 0.00 1.75 1.74 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.83 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.20 4.42 0.00 1.92 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 2.19 2.29 0.00 93 L 6.82 3.70 0.00 1.73 1.84 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.62 4.49 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 95 T 8.78 3.17 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 1.10 0.00 0.00 96 S 8.78 4.06 0.00 4.24 4.30 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 97 Q 8.16 4.49 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 98 F 7.74 4.88 0.00 3.04 3.04 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 99 D 10.01 4.69 0.00 2.78 2.88 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 0.00 100 D 8.54 4.69 0.00 2.73 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 0.00 101 T 7.43 4.55 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 1.25 0.00 0.00 102 G 8.38 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 0.00 103 N 7.78 5.20 0.00 2.80 2.79 0.00 0.00 6.59 8.13 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 0.00 104 F 7.43 4.77 0.00 2.49 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 0.00 0.00 0.00 0.00 105 S 8.82 5.09 0.00 3.73 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 0.00 106 F 8.86 4.93 0.00 3.17 3.17 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 0.00 107 G 8.82 4.16 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 0.00 0.00 0.00 *128 L 8.48 4.02 0.00 1.75 1.59 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.71 4.82 0.00 2.71 2.44 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 0.00 130 V 8.11 4.12 0.97 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 0.94 0.00 0.00 0.93 0.00 0.00 131 T 8.75 4.77 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 1.05 0.00 0.00 132 V 7.71 4.41 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 1.05 0.00 0.00 0.81 0.00 0.00 133 N 8.62 4.68 0.00 2.80 2.90 0.00 0.00 6.56 6.55 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 0.00 134 L 8.13 5.30 0.00 1.70 1.52 1.34 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.81 4.23 1.55 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 0.18 0.00 0.00 0.69 0.00 0.00 136 R 8.16 4.46 0.00 1.79 2.10 0.00 3.01 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 137 P 0.00 4.04 0.00 2.28 2.16 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 138 G 7.71 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.10 4.27 0.00 3.19 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 0.00 140 R 8.26 4.12 0.00 1.94 1.95 0.00 3.24 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.53 3.57 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 0.96 0.00 0.00 0.97 0.00 0.00 142 A 7.72 5.07 0.97 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 0.00 143 K 7.35 4.25 0.00 1.64 1.80 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.90 1.35 7.81 144 R 7.64 4.19 0.00 1.90 1.93 0.00 3.17 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 145 D 8.49 4.46 0.00 2.67 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 0.00 146 K 7.97 4.02 0.00 1.80 1.71 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.69 3.99 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 0.00 148 S 7.23 4.49 0.00 3.78 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 0.00 149 R 8.84 4.57 0.00 1.86 1.72 0.00 3.12 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 150 S 8.47 4.70 0.00 3.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.21 3.93 1.97 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 1.40 1.14 1.04 0.00 0.00 152 P 0.00 4.45 0.00 2.21 1.99 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.68 3.93 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 1.23 0.00 0.00 154 K 8.01 4.03 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 7.85 4.66 0.00 3.13 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.32 4.24 0.00 2.10 1.90 0.00 3.42 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 157 L 8.17 4.57 0.00 1.67 1.74 0.89 0.53 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 0.00 158 N 8.11 4.97 0.00 3.24 2.72 0.00 0.00 6.74 7.91 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 0.00 159 P 0.00 4.31 0.00 2.16 2.18 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 160 A 8.07 3.85 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 0.00 161 D 8.23 4.41 0.00 2.83 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 0.00 162 A 7.72 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.62 3.20 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 0.59 0.00 0.00 0.24 0.00 0.00 164 A 7.95 3.90 1.36 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 0.00 0.00 165 F 7.70 4.15 0.00 3.05 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 0.00 166 I 7.57 3.52 1.84 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.09 0.86 0.00 0.00 167 E 8.44 4.84 0.00 1.96 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 0.00 2.25 2.13 0.00 168 S 8.11 4.68 0.00 3.86 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 0.00 169 T 8.01 4.75 4.18 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 1.16 0.00 0.00 170 Y 7.84 3.36 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 171 D 6.72 4.41 0.00 2.88 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 0.00 172 V 7.93 4.79 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 9.06 4.32 0.00 1.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.19 0.00 174 V 7.54 3.93 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 0.89 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.