NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.0564 0.0000 0.0000 62.4760 33.3772 178.5860 2 V 3.5087 7.3361 110.0789 61.6079 31.4446 175.4045 3 Y 4.5113 7.5486 116.1797 56.7135 39.7971 174.5416 4 V 3.9716 6.3068 120.6959 61.5966 32.4527 174.8987 5 D 5.0158 8.2243 125.0637 53.1854 41.9499 175.4430 6 F 4.6887 7.2453 110.3364 56.3364 39.6937 172.6432 7 D 4.7626 8.9499 123.1820 53.1222 42.2766 175.4750 8 V 4.3478 8.2720 125.5191 60.4845 33.0040 173.7244 9 P 4.2830 0.0000 0.0000 62.6511 31.7750 176.8423 10 A 4.0166 8.9956 125.4825 55.8470 18.1519 179.2062 11 D 5.0717 8.0566 117.9515 56.8662 40.8870 178.6209 12 L 3.8996 8.5692 121.1913 58.2849 42.1284 178.2809 13 E 4.0421 8.4083 118.7599 59.7462 29.2981 178.5609 14 D 4.4632 8.3838 118.7767 57.5021 40.8899 178.2990 15 D 4.5864 8.2140 119.7672 56.7524 40.8102 178.6568 16 A 4.0992 8.4290 121.4067 55.5636 18.4440 179.6346 17 L 3.9826 8.2803 117.1694 57.9163 41.1043 179.7039 18 E 3.8960 8.2006 118.2607 59.3808 29.4111 178.9221 19 A 4.0489 8.2527 120.8870 55.4712 18.3195 179.2810 20 L 3.8920 8.3805 118.8546 58.4006 41.7964 179.2399 21 E 4.0265 8.0431 118.3734 59.6010 29.6505 179.7639 22 V 3.6706 7.8791 111.7220 63.7771 31.6301 178.5664 23 A 4.0530 8.1669 121.7376 54.8275 17.9841 179.8447 24 R 3.9461 7.5203 113.7305 59.7584 29.7479 178.7835 25 D 4.4811 7.7251 118.3388 54.5597 40.9514 177.4525 26 T 4.1783 7.8666 114.4142 64.2102 68.7984 177.2602 27 G 4.7143 5.3800 114.6065 46.1129 0.0000 177.9302 28 A 4.9282 7.8903 125.0416 50.6458 23.0387 175.4991 29 V 4.8159 8.1644 111.3588 60.0256 36.7868 174.5373 30 K 4.6880 9.3752 120.6408 54.6424 35.3167 175.7156 31 K 4.7125 8.8836 123.6110 55.5218 34.7841 176.5393 32 G 3.9750 8.7727 111.5322 45.9582 0.0000 174.0425 33 T 3.8582 8.7576 121.4155 67.0901 68.7589 175.3763 34 N 4.3455 8.2575 117.7666 57.1733 38.4961 176.1635 35 E 4.0087 8.2087 118.9324 60.0607 29.8005 179.6209 36 T 3.9814 8.1790 115.2286 66.3413 68.3775 177.0417 37 T 4.0775 8.2090 118.5448 66.4951 68.6710 177.2133 38 K 4.9030 7.9398 120.9178 58.7837 31.9705 179.5272 39 S 4.1622 7.6985 116.7075 61.2285 62.6864 176.3910 40 I 3.7225 7.1436 119.8584 64.7155 37.0415 178.0656 41 E 4.1719 8.2691 119.3014 59.1478 29.2851 178.5637 42 R 4.4344 8.3884 116.3469 55.5176 30.1017 177.9759 43 G 4.0563 7.9120 106.7102 46.0762 0.0000 174.1778 44 S 4.5178 7.6132 114.7226 57.7556 63.2431 173.9856 45 A 4.7347 7.6248 121.6290 51.9890 22.4757 175.9249 46 E 4.4987 8.8084 121.7378 57.5173 31.9331 176.2019 47 L 5.0198 7.7253 120.7520 53.4296 45.6524 175.2596 48 V 5.0337 8.7550 119.2053 59.7219 35.1227 174.7475 49 F 5.3781 10.2934 123.1976 56.1433 42.0983 175.3891 50 V 4.7970 8.7564 120.8380 61.2339 34.3723 174.5533 51 A 4.5529 9.6799 131.4991 52.6742 18.5104 176.6670 52 E 4.4515 8.8006 118.4627 55.4014 31.4031 176.9892 53 D 4.6672 7.6316 121.3924 52.3834 38.9972 175.8320 54 V 4.4642 7.2933 117.7027 61.9504 34.0369 174.5091 55 Q 4.5717 8.2250 126.5989 54.2254 31.6250 172.2244 56 P 4.5074 0.0000 0.0000 62.4353 32.3719 177.1322 57 E 4.2480 8.7608 119.5817 58.3279 29.1991 178.9909 58 E 3.9256 8.2958 119.3516 59.9926 29.3822 179.1276 59 I 3.6225 6.8940 116.8941 63.8249 37.3574 176.7639 60 V 4.1399 7.2062 117.1121 62.8109 33.4694 177.5713 61 M 3.7013 7.8491 119.3104 58.6726 31.9411 178.1016 62 H 4.3611 8.3286 114.9507 58.3507 28.9345 177.1913 63 I 3.3574 7.3565 122.7370 64.7573 36.8934 175.4211 64 P 2.9700 0.0000 0.0000 66.0885 31.0682 177.6429 65 E 4.0380 8.1035 117.8880 59.6044 29.5634 179.2762 66 L 3.8637 7.7909 119.2498 57.9937 42.4683 178.2002 67 A 4.1745 8.3477 120.9573 55.6091 18.2640 178.9047 68 D 4.5759 8.3572 117.3234 57.7015 40.8553 180.5674 69 E 4.6690 7.9657 116.0850 56.0037 30.7830 177.9815 70 K 4.3871 8.7029 115.1327 57.6486 36.2794 177.5534 71 G 3.9601 7.8265 105.9858 45.8887 0.0000 174.1116 72 V 3.8671 7.4574 119.9968 62.0975 32.1016 174.1583 73 P 4.6497 0.0000 0.0000 62.3126 32.7016 175.1036 74 F 5.4239 7.7047 116.4249 55.5157 41.5101 173.3268 75 I 4.5468 8.4372 118.6993 59.5651 41.7530 173.6058 76 F 5.7409 8.6344 125.4113 56.4610 40.8244 176.0649 77 V 4.6068 8.6724 121.1529 62.3429 33.1493 176.0116 *78 E 4.3466 8.3815 117.0428 55.7540 31.5786 175.3136 79 Q 5.1670 8.2727 118.7627 53.3946 32.0939 174.3030 80 Q 4.5545 8.5166 115.7764 57.3326 30.8529 177.2772 81 D 4.4820 7.9971 118.5705 56.0442 40.4244 178.2738 82 D 4.3311 7.9424 119.7206 57.2786 41.0254 178.1395 83 L 4.4751 7.9838 120.5004 58.0899 42.1307 179.0698 84 G 3.5631 8.0127 105.2526 47.5694 0.0000 175.0731 85 H 4.4980 8.1692 120.2697 58.8566 29.7968 177.2313 86 A 3.7851 9.1940 122.7594 54.9745 18.2991 177.9903 87 A 4.0717 8.0024 116.3627 52.3854 18.3713 177.4657 88 G 3.7326 8.0671 104.4907 46.7873 0.0000 173.9601 89 L 4.6382 8.1517 118.6367 52.8667 44.0051 176.2785 90 E 4.4542 8.5350 118.7384 56.1389 29.8567 175.2675 91 V 4.3877 7.2651 116.1222 62.1541 34.4650 174.0993 92 G 4.1402 8.4526 107.3444 44.2639 0.0000 172.7274 93 S 4.4698 8.6339 113.7209 56.3690 64.7802 173.3608 94 A 4.2292 9.1669 129.5651 54.3387 18.4372 176.5868 95 A 5.2656 7.8368 114.4986 50.1847 22.4328 174.1649 96 A 4.9800 9.3538 119.4183 50.8500 23.6346 175.3793 97 A 4.9366 8.7230 120.2376 50.7553 23.0694 176.0514 98 V 4.2826 9.4421 124.0762 62.0405 31.9113 174.6284 99 T 4.2618 8.2246 122.0047 61.5471 67.5061 172.1187 100 D 5.2047 9.3388 132.2445 53.1015 39.6458 174.6308 101 A 4.4353 8.1924 126.1760 51.1180 17.5966 178.4466 102 G 3.8342 10.1364 116.9526 47.7613 0.0000 171.9428 103 E 3.7977 8.3603 129.6348 56.1653 27.3084 175.7465 104 A 4.6536 7.8123 116.7232 51.5966 24.4241 178.5603 105 D 4.3922 8.5969 116.5132 58.2862 40.6957 178.1761 106 A 3.8619 8.2555 118.7845 56.0410 18.2649 178.7877 107 D 4.3703 8.0506 114.3521 57.3246 41.2573 179.4193 108 V 3.5452 8.1903 118.6320 66.1054 31.5038 177.2224 109 E 3.8739 8.7453 119.3228 59.8581 29.1325 178.8042 110 D 4.5466 7.7467 119.8633 56.7033 40.7234 178.8509 111 I 3.6276 7.5872 119.7502 64.3029 37.0827 177.9216 112 A 3.8578 7.8177 121.5161 55.4998 17.6259 179.3867 113 D 4.1712 7.8772 116.8034 57.5614 40.9816 178.8886 114 K 4.0621 9.4349 120.1349 58.8419 31.8371 179.5038 115 V 3.3068 8.1710 117.6712 65.9363 31.7851 177.2640 116 E 3.8741 8.0434 118.6867 59.7238 28.8095 179.4382 117 E 3.9169 8.3843 118.5193 59.2170 29.3187 178.8002 118 L 4.0255 7.4129 115.5552 54.9617 41.8596 176.6248 119 R 4.0346 7.5135 123.3714 57.1666 31.6008 175.5135 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 P 0.00 4.06 0.00 2.00 1.97 0.00 3.34 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 2 V 7.34 3.51 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 0.62 0.00 0.00 1.07 0.00 0.00 3 Y 7.55 4.51 0.00 3.08 3.13 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 4 V 6.31 3.97 1.53 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 0.21 0.00 0.00 -0.42 0.00 0.00 5 D 8.22 5.02 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.25 4.69 0.00 3.09 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 7 D 8.95 4.76 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.35 2.25 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 0.96 0.00 0.00 1.27 0.00 0.00 9 P 0.00 4.28 0.00 2.24 2.00 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 10 A 9.00 4.02 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 11 D 8.06 5.07 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.57 3.90 0.00 1.71 1.77 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.41 4.04 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 14 D 8.38 4.46 0.00 2.99 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 15 D 8.21 4.59 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.43 4.10 1.48 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 0.00 0.00 17 L 8.28 3.98 0.00 1.76 1.76 0.98 0.85 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 18 E 8.20 3.90 0.00 2.33 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 2.35 2.64 0.00 19 A 8.25 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.89 0.00 1.49 1.69 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.04 4.03 0.00 2.25 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 2.43 2.47 0.00 22 V 7.88 3.67 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 0.89 0.00 0.00 1.01 0.00 0.00 23 A 8.17 4.05 1.43 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 24 R 7.52 3.95 0.00 1.90 2.04 0.00 3.04 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 25 D 7.73 4.48 0.00 2.63 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.18 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 1.25 0.00 0.00 27 G 5.38 4.71 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 0.00 0.00 0.00 28 A 7.89 4.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.82 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 0.74 0.00 0.00 0.91 0.00 0.00 30 K 9.38 4.69 0.00 1.68 1.68 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.54 7.81 31 K 8.88 4.71 0.00 1.59 1.68 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.39 7.81 32 G 8.77 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 33 T 8.76 3.86 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 1.27 0.00 0.00 34 N 8.26 4.35 0.00 2.83 2.82 0.00 0.00 7.10 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 35 E 8.21 4.01 0.00 2.19 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 2.41 2.42 0.00 36 T 8.18 3.98 4.44 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 1.28 0.00 0.00 37 T 8.21 4.08 4.40 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 0.00 0.00 1.29 0.00 0.00 38 K 7.94 4.90 0.00 1.80 1.87 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.56 7.81 39 S 7.70 4.16 0.00 3.90 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 40 I 7.14 3.72 1.88 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 1.55 0.70 0.92 0.00 0.00 41 E 8.27 4.17 0.00 2.20 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 0.00 2.34 2.59 0.00 42 R 8.39 4.43 0.00 1.96 1.95 0.00 3.32 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 43 G 7.91 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 44 S 7.61 4.52 0.00 3.98 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 45 A 7.62 4.73 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.50 0.00 1.92 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 2.25 2.24 0.00 47 L 7.73 5.02 0.00 1.64 1.44 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.76 5.03 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 0.83 0.00 0.00 1.09 0.00 0.00 49 F 10.29 5.38 0.00 2.82 3.06 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 50 V 8.76 4.80 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 1.13 0.00 0.00 0.96 0.00 0.00 51 A 9.68 4.55 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 52 E 8.80 4.45 0.00 2.04 1.83 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 1.85 2.23 0.00 53 D 7.63 4.67 0.00 2.82 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 54 V 7.29 4.46 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 0.81 0.00 0.00 1.05 0.00 0.00 55 Q 8.22 4.57 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 56 P 0.00 4.51 0.00 2.55 2.16 0.00 3.75 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 2.07 1.98 0.00 57 E 8.76 4.25 0.00 2.13 2.29 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 2.68 2.49 0.00 58 E 8.30 3.93 0.00 2.04 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 2.40 2.48 0.00 59 I 6.89 3.62 1.92 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 1.39 0.52 0.89 0.00 0.00 60 V 7.21 4.14 1.48 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 0.47 0.00 0.00 0.79 0.00 0.00 61 M 7.85 3.70 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.68 0.00 62 H 8.33 4.36 0.00 3.32 3.49 0.00 5.50 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 63 I 7.36 3.36 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.68 0.00 0.00 64 P 0.00 2.97 0.00 2.08 1.87 0.00 3.60 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.99 0.00 65 E 8.10 4.04 0.00 2.05 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 2.55 2.42 0.00 66 L 7.79 3.86 0.00 1.75 1.81 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.35 4.17 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 0.00 0.00 0.00 0.00 0.00 68 D 8.36 4.58 0.00 2.99 2.85 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 69 E 7.97 4.67 0.00 2.17 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 0.00 2.60 2.36 0.00 70 K 8.70 4.39 0.00 1.95 1.80 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.63 7.81 71 G 7.83 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 72 V 7.46 3.87 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 0.87 0.00 0.00 1.08 0.00 0.00 73 P 0.00 4.65 0.00 2.01 1.79 0.00 3.87 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 74 F 7.70 5.42 0.00 2.89 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 75 I 8.44 4.55 1.65 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 1.25 1.39 0.47 0.00 0.00 76 F 8.63 5.74 0.00 3.02 2.94 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 77 V 8.67 4.61 2.28 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 1.33 0.00 0.00 1.23 0.00 0.00 *78 E 8.38 4.35 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 79 Q 8.27 5.17 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 80 Q 8.52 4.55 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 81 D 8.00 4.48 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 82 D 7.94 4.33 0.00 2.72 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 83 L 7.98 4.48 0.00 1.79 1.69 0.68 1.23 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 84 G 8.01 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.17 4.50 0.00 3.35 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.19 3.79 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 87 A 8.00 4.07 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 88 G 8.07 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 89 L 8.15 4.64 0.00 1.78 1.67 0.91 0.78 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 90 E 8.53 4.45 0.00 1.92 1.93 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 2.22 2.28 0.00 91 V 7.27 4.39 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 0.88 0.00 0.00 0.93 0.00 0.00 92 G 8.45 4.14 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 0.00 0.00 0.00 93 S 8.63 4.47 0.00 3.81 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 94 A 9.17 4.23 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 95 A 7.84 5.27 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 96 A 9.35 4.98 1.14 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 0.00 0.00 97 A 8.72 4.94 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 98 V 9.44 4.28 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 0.97 0.00 0.00 1.28 0.00 0.00 99 T 8.22 4.26 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 1.27 0.00 0.00 100 D 9.34 5.20 0.00 2.98 2.69 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 0.00 0.00 0.00 0.00 101 A 8.19 4.44 1.11 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 0.00 102 G 10.14 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 0.00 103 E 8.36 3.80 0.00 2.10 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 2.23 2.29 0.00 104 A 7.81 4.65 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.60 4.39 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.86 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 0.00 107 D 8.05 4.37 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 3.55 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 0.99 0.00 0.00 0.99 0.00 0.00 109 E 8.75 3.87 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 110 D 7.75 4.55 0.00 2.83 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 0.00 111 I 7.59 3.63 1.90 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 1.44 1.15 0.83 0.00 0.00 112 A 7.82 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 0.00 113 D 7.88 4.17 0.00 2.87 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 0.00 114 K 9.43 4.06 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 115 V 8.17 3.31 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 0.38 0.00 0.00 0.82 0.00 0.00 116 E 8.04 3.87 0.00 2.11 1.89 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 2.37 2.42 0.00 117 E 8.38 3.92 0.00 2.10 1.93 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 2.27 2.46 0.00 118 L 7.41 4.03 0.00 1.61 1.54 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.51 4.03 0.00 1.90 1.75 0.00 3.53 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.