NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4140 8.3049 120.3486 55.6989 34.4415 176.8520 2 N 4.6534 7.9001 116.3564 52.2587 37.4672 174.1945 3 R 4.6741 7.9649 112.0403 57.3948 33.6839 178.8324 4 G 3.8559 8.2279 109.5437 48.5217 0.0000 176.6296 5 A 3.9811 7.7470 121.3398 54.3466 18.8182 178.5384 6 L 3.9989 7.9363 117.3947 58.4812 41.8312 179.3858 7 I 3.6833 8.1526 118.8176 64.3284 37.2803 178.0144 8 K 4.4166 7.5947 117.4399 56.9860 32.1011 177.1428 9 L 5.2487 7.6574 119.4587 54.6717 43.1126 177.1887 10 V 4.1896 7.7487 117.4203 64.6443 33.7413 176.0775 11 E 4.0109 8.3361 118.8983 59.4887 29.5995 177.0817 12 S 3.9012 7.6809 113.6634 57.6688 60.8892 173.8715 13 R 4.7528 7.5768 132.5213 57.3008 30.7532 175.1385 14 Y 4.7567 7.8692 112.8571 56.8047 39.9717 176.6279 15 V 3.7239 7.7677 119.2226 62.4636 31.2979 175.7953 16 R 4.4039 8.5016 123.2480 54.5175 31.0073 174.5324 17 T 4.4366 8.3470 118.0398 59.6903 68.4072 174.4512 18 D 5.4333 8.1346 135.0000 54.5383 38.8104 177.1915 19 L 4.0357 7.6426 120.1133 53.3850 42.1883 175.0695 20 P 4.3008 0.0000 0.0000 62.7198 31.5513 174.5108 21 E 4.9484 8.3267 118.4736 54.9856 31.9217 175.1110 22 F 4.9162 8.5408 117.5897 57.1758 40.2830 173.1149 23 R 4.5171 9.4429 122.8298 57.6850 29.8156 171.5961 24 P 4.5196 0.0000 0.0000 63.8878 31.5010 177.3111 25 G 4.2854 11.3000 112.0604 45.2213 0.0000 176.2444 26 D 4.6708 9.1575 130.2418 53.5329 43.1329 172.6550 27 T 4.8196 9.8700 127.3211 62.2027 70.2256 172.9654 28 V 4.0754 7.7785 118.5910 61.4662 32.8294 169.5725 29 R 4.5997 8.5932 127.4960 55.0647 32.8305 174.1820 30 V 4.1462 7.6780 117.5590 60.0486 33.1634 174.9934 31 S 4.1962 8.5685 115.4015 58.8995 64.8261 177.5450 32 Y 4.3584 6.7815 112.6528 56.2063 42.1287 177.5188 33 K 4.3284 9.3085 121.1387 56.8711 30.1252 174.9192 34 V 4.2413 8.4803 124.0709 62.1997 31.6761 176.0423 35 K 4.3383 7.8331 118.4643 55.6585 34.5158 175.5197 36 E 3.6450 8.9670 116.3451 57.2763 27.3299 173.7486 37 G 4.0907 8.3814 102.0595 45.1672 0.0000 173.0940 38 N 4.9097 7.7895 115.0653 52.0388 40.5904 174.2252 39 R 4.4586 8.2730 116.1309 56.3520 30.3728 175.5453 40 T 4.6227 7.6593 106.2653 59.3212 72.3387 172.5357 41 R 4.2521 8.5750 121.2964 55.6119 30.4793 174.9813 42 I 4.3142 8.0992 119.3697 59.1938 37.3671 172.5173 43 Q 4.4965 8.4406 131.1128 55.3816 30.2174 174.5065 44 D 4.8606 8.7199 126.4097 53.7399 40.7133 176.1669 45 F 4.6488 8.4903 122.1981 57.1846 41.4452 173.1590 46 E 4.1779 8.3350 127.4087 54.4685 30.5360 175.4422 47 G 3.9300 7.5875 112.0756 46.6380 0.0000 171.4552 48 I 4.8466 7.7636 120.8293 59.6906 40.2215 176.0719 49 V 4.4130 7.9566 124.4700 61.5907 31.9251 175.9699 50 I 3.8884 8.6532 126.1011 62.5660 38.2510 176.2444 51 R 4.5171 7.1107 122.6670 54.9427 32.3279 175.3034 52 I 4.5287 7.9335 115.9612 60.5663 38.7488 173.3394 53 R 4.5524 9.5994 126.8270 54.1502 30.7146 176.4100 54 R 4.4828 8.5971 122.9395 56.1041 31.1902 176.6650 55 N 4.6067 8.8075 115.1552 53.8976 41.2726 175.6589 56 G 3.9246 7.9947 115.5476 46.0983 0.0000 174.9295 57 F 4.2016 9.8349 124.2563 60.5776 37.7445 175.7247 58 N 3.8104 8.5443 123.6299 53.0635 36.9857 174.8259 59 T 4.4460 8.0741 118.5600 60.5818 69.9643 172.9846 60 T 5.7103 8.5823 118.7105 59.9057 72.0457 173.1243 61 F 5.1851 8.1273 115.7246 56.2486 41.6687 173.0275 62 T 4.7536 9.5574 109.5889 60.4375 72.4684 173.0180 63 V 5.5779 8.1797 115.4936 59.1953 35.7645 174.7679 64 R 5.1140 8.3416 122.1663 54.9817 33.4648 173.5717 65 K 4.8084 9.5638 126.5289 54.9901 36.5191 174.6153 66 V 4.5845 8.2792 124.8082 61.8519 32.3522 174.9942 67 S 4.4486 8.9868 123.6446 57.5776 64.2347 173.6003 68 Y 3.8055 10.0190 126.9960 59.2391 34.7661 170.1303 69 G 4.3320 8.0317 116.9669 45.4373 0.0000 172.5495 70 V 3.8449 7.5001 119.1503 61.7034 32.7145 175.3098 71 G 4.2014 8.6979 115.0867 46.3583 0.0000 172.7591 72 V 4.8672 9.3972 121.5552 61.1903 35.5139 173.2138 73 E 5.3758 8.7682 122.5026 54.7559 32.7522 174.6355 74 R 4.4566 9.3049 121.2318 54.5204 33.8731 173.8623 75 I 4.3346 7.8901 124.1550 59.5217 39.3141 174.9692 76 F 4.9523 8.4718 126.6293 55.1301 40.0600 174.7368 77 P 4.1121 0.0000 0.0000 64.0277 31.3026 177.3592 78 L 4.2642 9.6511 116.6475 55.4166 40.1104 172.9827 79 H 4.9508 8.0257 111.1614 55.2637 33.7465 175.0814 80 S 3.9841 8.4126 117.0897 58.8951 59.7561 168.3509 81 P 4.5732 0.0000 0.0000 63.5472 30.5133 174.0215 82 L 4.2789 9.0159 122.2588 55.3122 49.8100 177.2655 83 I 2.9348 7.2641 110.5904 62.6454 37.6828 173.7437 84 Q 3.5489 7.1168 117.3158 56.6219 26.3877 176.9800 85 K 4.4780 7.8834 130.4211 55.2255 32.9045 176.1741 86 I 3.6155 7.7133 117.1936 61.0337 38.4826 174.5463 87 D 4.7777 8.2152 125.6883 54.8320 40.2607 175.6389 88 I 3.9646 8.6240 120.5715 61.2561 37.7643 177.1940 89 V 4.3005 6.1117 135.0000 61.2923 34.8753 175.1919 90 Q 4.3335 8.2147 128.0005 56.2976 29.1725 174.4950 91 R 4.5209 8.7308 125.4875 53.0256 37.7400 177.0795 92 G 3.7990 8.8659 108.4354 43.1106 0.0000 172.9520 93 R 3.8338 8.4133 115.0178 55.8578 29.6743 175.9268 94 A 4.1210 7.6478 118.9523 51.9918 18.3273 179.6297 95 R 4.0947 8.7981 121.9254 57.9094 30.2266 176.0272 96 R 4.7153 7.7968 113.4879 54.2011 34.2951 175.8861 97 A 4.0447 8.9661 124.0683 53.0009 16.8802 180.0548 98 K 3.9568 9.0848 116.0312 56.2516 33.6728 177.0962 99 L 3.9215 6.8788 114.3233 55.8667 40.9601 173.9408 100 Y 4.2041 7.8403 121.7201 59.5396 39.0220 177.7514 101 F 4.1807 7.9430 115.5549 59.8434 37.8200 177.4297 102 I 4.0690 8.4172 120.8942 64.4547 38.1738 177.2783 103 R 3.9521 8.3829 119.2041 59.4774 29.5217 177.2537 104 N 4.1723 7.8915 114.8989 55.5116 39.2923 174.1206 105 L 4.6966 8.0690 123.1549 52.9003 43.2336 176.3093 106 S 4.9171 9.3822 117.5284 55.7221 66.8351 174.7944 107 D 4.9424 7.9655 119.7651 53.2541 39.3386 180.1102 108 R 3.7049 8.2067 113.0948 58.8748 29.3697 178.0499 109 E 3.9246 9.8481 120.8407 59.7681 29.5051 179.4117 110 I 3.6264 7.3330 119.3460 64.3923 36.8909 177.9937 111 R 4.2696 7.8030 114.9810 57.4451 29.5504 177.5542 112 R 4.2579 8.2635 116.0436 56.8337 29.9303 177.2129 113 K 4.4320 7.2569 118.6894 56.8620 34.4403 176.7143 114 L 4.6381 7.4638 120.3176 52.9302 41.2912 179.2689 115 R 4.3234 7.9353 128.9919 55.6154 29.9081 177.1006 116 A 4.6040 8.3474 128.5734 50.9083 20.8265 176.8362 117 D 4.6044 8.5252 122.8737 54.2433 39.0835 176.3992 118 R 3.9525 8.3509 124.1216 58.8723 30.0032 177.6273 119 K 4.1938 8.1436 118.5876 60.0242 32.1980 178.2327 120 R 4.3514 7.9259 116.8209 57.0696 29.9772 178.1911 121 I 3.9870 7.2192 119.0455 63.2081 38.4710 176.7691 122 D 4.5074 9.0836 117.8427 56.0474 41.0705 176.8083 123 Q 4.4815 7.7525 116.1508 57.1874 29.6931 176.9482 124 D 4.3850 7.4281 120.1257 57.3084 41.2789 178.2877 125 R 3.9084 8.6216 117.8125 58.4949 30.2534 177.7777 126 A 4.1416 7.9456 118.6259 53.2171 18.7378 176.9901 127 A 4.4863 7.7318 120.5913 51.8277 17.4752 177.8011 128 E 4.3773 7.8616 117.3599 56.9094 30.8909 177.3902 129 R 4.3478 7.7182 119.8737 56.8114 27.6862 175.8822 130 A 4.2309 7.9253 120.2789 53.2134 20.3892 177.8875 131 A 3.8280 7.0580 118.3988 51.6461 16.1500 178.0804 132 K 4.2597 8.2286 124.8385 56.2635 30.4365 177.7788 133 E 4.4204 7.6574 120.1649 54.2506 28.9461 173.8938 134 E 4.4913 7.8703 122.5491 55.0048 33.5510 174.4251 135 A 3.7331 8.4530 125.1444 52.2243 15.6579 176.0131 136 Q 4.5734 7.4737 122.1065 56.4710 34.9449 174.2057 137 K 4.4544 7.7376 115.8114 54.8435 33.2581 175.7281 *138 A 4.1104 7.7578 124.7151 52.3896 18.7921 176.8756 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 1 M 8.30 4.41 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 7.90 4.65 0.00 2.83 2.80 0.00 0.00 6.67 6.78 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 3 R 7.96 4.67 0.00 1.78 1.84 0.00 3.32 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 4 G 8.23 3.86 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 0.00 0.00 0.00 5 A 7.75 3.98 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 6 L 7.94 4.00 0.00 1.72 1.81 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.15 3.68 2.02 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 1.40 0.75 0.90 0.00 0.00 8 K 7.59 4.42 0.00 1.89 1.95 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.34 7.81 9 L 7.66 5.25 0.00 1.86 1.63 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.75 4.19 2.18 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 0.78 0.00 0.00 0.95 0.00 0.00 11 E 8.34 4.01 0.00 1.99 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 2.36 0.00 12 S 7.68 3.90 0.00 3.57 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 13 R 7.58 4.75 0.00 1.96 2.08 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 14 Y 7.87 4.76 0.00 2.76 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 15 V 7.77 3.72 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 0.71 0.00 0.00 1.02 0.00 0.00 16 R 8.50 4.40 0.00 1.76 2.07 0.00 3.36 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 17 T 8.35 4.44 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 1.22 0.00 0.00 18 D 8.13 5.43 0.00 2.85 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 19 L 7.64 4.04 0.00 1.57 1.51 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.30 0.00 1.82 1.96 0.00 3.42 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 21 E 8.33 4.95 0.00 1.93 1.84 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 2.26 2.36 0.00 22 F 8.54 4.92 0.00 3.10 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 23 R 9.44 4.52 0.00 2.04 2.04 0.00 2.97 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 24 P 0.00 4.52 0.00 2.13 2.42 0.00 3.63 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 25 G 11.30 4.29 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 0.00 26 D 9.16 4.67 0.00 2.68 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 27 T 9.87 4.82 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 1.44 0.00 0.00 28 V 7.78 4.08 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 0.99 0.00 0.00 1.14 0.00 0.00 29 R 8.59 4.60 0.00 1.80 1.71 0.00 3.38 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 30 V 7.68 4.15 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 0.79 0.00 0.00 0.89 0.00 0.00 31 S 8.57 4.20 0.00 2.72 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 32 Y 6.78 4.36 0.00 3.13 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 33 K 9.31 4.33 0.00 1.91 2.29 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.38 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.31 7.81 34 V 8.48 4.24 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 0.83 0.00 0.00 0.91 0.00 0.00 35 K 7.83 4.34 0.00 1.99 1.97 0.00 1.69 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 1.47 1.43 7.81 36 E 8.97 3.64 0.00 2.14 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 0.00 2.31 2.30 0.00 37 G 8.38 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 0.00 0.00 0.00 0.00 38 N 7.79 4.91 0.00 2.80 2.91 0.00 0.00 6.93 7.53 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 39 R 8.27 4.46 0.00 1.82 1.98 0.00 3.15 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 40 T 7.66 4.62 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 41 R 8.57 4.25 0.00 1.89 2.41 0.00 3.37 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 42 I 8.10 4.31 1.84 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 1.22 0.82 0.89 0.00 0.00 43 Q 8.44 4.50 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 44 D 8.72 4.86 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.65 0.00 3.10 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 46 E 8.34 4.18 0.00 1.81 1.60 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 2.17 2.24 0.00 47 G 7.59 3.93 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 0.00 0.00 0.00 48 I 7.76 4.85 1.89 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 1.31 0.84 1.00 0.00 0.00 49 V 7.96 4.41 2.32 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 0.83 0.00 0.00 0.91 0.00 0.00 50 I 8.65 3.89 1.61 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 0.96 0.38 0.33 0.00 0.00 51 R 7.11 4.52 0.00 1.71 1.79 0.00 3.10 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 52 I 7.93 4.53 1.68 0.00 0.00 0.67 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 0.36 0.58 0.00 0.00 53 R 9.60 4.55 0.00 1.65 1.97 0.00 3.26 0.00 0.00 3.44 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 54 R 8.60 4.48 0.00 1.82 1.91 0.00 3.28 0.00 0.00 3.80 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 55 N 8.81 4.61 0.00 2.59 2.92 0.00 0.00 7.12 7.98 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 56 G 7.99 3.92 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 0.00 0.00 0.00 57 F 9.83 4.20 0.00 2.86 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 58 N 8.54 3.81 0.00 2.54 2.07 0.00 0.00 5.62 7.71 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 59 T 8.07 4.45 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 1.42 0.00 0.00 60 T 8.58 5.71 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 61 F 8.13 5.19 0.00 3.23 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 62 T 9.56 4.75 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 1.05 0.00 0.00 63 V 8.18 5.58 2.22 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 1.14 0.00 0.00 1.10 0.00 0.00 64 R 8.34 5.11 0.00 1.84 1.70 0.00 3.44 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 65 K 9.56 4.81 0.00 1.68 1.45 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.34 7.81 66 V 8.28 4.58 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 0.86 0.00 0.00 0.94 0.00 0.00 67 S 8.99 4.45 0.00 3.67 3.61 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 0.00 0.00 0.00 0.00 68 Y 10.02 3.81 0.00 3.06 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 69 G 8.03 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 0.00 0.00 0.00 0.00 70 V 7.50 3.84 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 0.97 0.00 0.00 0.96 0.00 0.00 71 G 8.70 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 72 V 9.40 4.87 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 1.05 0.00 0.00 0.97 0.00 0.00 73 E 8.77 5.38 0.00 2.03 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 2.17 2.25 0.00 74 R 9.30 4.46 0.00 0.94 0.66 0.00 2.21 0.00 0.00 2.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.06 0.00 75 I 7.89 4.33 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.81 0.00 0.00 76 F 8.47 4.95 0.00 1.51 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 0.00 0.00 0.00 77 P 0.00 4.11 0.00 2.10 2.11 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 78 L 9.65 4.26 0.00 2.40 2.32 1.06 1.11 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 79 H 8.03 4.95 0.00 3.21 3.39 0.00 6.03 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 80 S 8.41 3.98 0.00 4.20 3.86 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 81 P 0.00 4.57 0.00 2.35 2.38 0.00 3.81 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 2.11 2.25 0.00 82 L 9.02 4.28 0.00 1.65 1.50 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.26 2.93 1.83 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 1.39 0.35 0.87 0.00 0.00 84 Q 7.12 3.55 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.55 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 85 K 7.88 4.48 0.00 1.71 1.63 0.00 1.76 0.00 0.00 1.38 0.00 0.00 3.15 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.12 1.29 7.81 86 I 7.71 3.62 1.82 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 1.42 0.87 0.87 0.00 0.00 87 D 8.22 4.78 0.00 2.63 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 88 I 8.62 3.96 2.07 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 1.53 0.50 0.91 0.00 0.00 89 V 6.11 4.30 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 0.99 0.00 0.00 0.93 0.00 0.00 90 Q 8.21 4.33 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.52 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 91 R 8.73 4.52 0.00 1.78 1.96 0.00 3.37 0.00 0.00 3.42 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 92 G 8.87 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.41 3.83 0.00 2.02 1.97 0.00 3.43 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 94 A 7.65 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.09 0.00 1.89 2.05 0.00 3.38 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 96 R 7.80 4.72 0.00 1.89 1.92 0.00 3.06 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 1.56 1.79 0.00 97 A 8.97 4.04 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 98 K 9.08 3.96 0.00 1.78 1.89 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.48 7.81 99 L 6.88 3.92 0.00 0.27 0.99 0.61 0.52 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 0.00 100 Y 7.84 4.20 0.00 2.99 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 0.00 101 F 7.94 4.18 0.00 3.10 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 0.00 102 I 8.42 4.07 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 1.04 0.00 0.00 103 R 8.38 3.95 0.00 2.03 2.05 0.00 3.43 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 104 N 7.89 4.17 0.00 2.75 2.85 0.00 0.00 6.79 7.78 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 0.00 105 L 8.07 4.70 0.00 1.62 1.77 0.92 0.85 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 0.00 106 S 9.38 4.92 0.00 3.94 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 0.00 107 D 7.97 4.94 0.00 2.96 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 0.00 108 R 8.21 3.70 0.00 2.05 2.23 0.00 2.97 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 109 E 9.85 3.92 0.00 2.18 1.99 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 2.31 2.62 0.00 110 I 7.33 3.63 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 0.97 0.00 0.00 111 R 7.80 4.27 0.00 2.06 2.18 0.00 2.76 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 112 R 8.26 4.26 0.00 1.90 2.06 0.00 3.04 0.00 0.00 3.13 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.98 0.00 113 K 7.26 4.43 0.00 1.63 1.68 0.00 1.65 0.00 0.00 1.31 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.61 7.81 114 L 7.46 4.64 0.00 1.67 1.66 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.94 4.32 0.00 1.80 1.74 0.00 3.31 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 116 A 8.35 4.60 1.21 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 0.00 117 D 8.53 4.60 0.00 2.96 2.61 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 0.00 0.00 0.00 0.00 118 R 8.35 3.95 0.00 1.89 1.98 0.00 3.22 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 119 K 8.14 4.19 0.00 1.82 2.03 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.58 7.81 120 R 7.93 4.35 0.00 1.94 1.97 0.00 3.19 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 121 I 7.22 3.99 2.05 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 1.41 1.41 0.96 0.00 0.00 122 D 9.08 4.51 0.00 2.69 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 0.00 123 Q 7.75 4.48 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 124 D 7.43 4.38 0.00 3.32 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 0.00 125 R 8.62 3.91 0.00 1.79 1.98 0.00 3.37 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 126 A 7.95 4.14 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 0.00 127 A 7.73 4.49 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 0.00 128 E 7.86 4.38 0.00 2.20 2.27 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 2.32 2.43 0.00 129 R 7.72 4.35 0.00 1.77 1.92 0.00 3.27 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 130 A 7.93 4.23 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 0.00 131 A 7.06 3.83 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 0.00 132 K 8.23 4.26 0.00 1.76 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 133 E 7.66 4.42 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 2.21 2.27 0.00 134 E 7.87 4.49 0.00 1.88 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 2.18 2.36 0.00 135 A 8.45 3.73 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 0.00 136 Q 7.47 4.57 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.31 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 137 K 7.74 4.45 0.00 1.72 1.68 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 *138 A 7.76 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.