NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3624 8.3293 119.1187 55.0381 30.5121 175.4710 3 E 4.4991 8.2784 121.3080 51.7965 29.4299 172.7686 *5 E 4.3772 8.0370 121.4779 57.0345 33.4355 179.8308 6 D 4.3726 8.1176 118.1117 57.0883 41.2971 177.8203 7 L 3.9823 7.5704 119.6113 58.1585 42.1596 178.9218 8 L 3.9887 7.8834 118.4752 57.9552 41.6046 178.7640 9 Y 4.0954 8.6019 119.8625 60.8085 38.8000 178.0830 10 R 3.8037 8.2285 119.0312 59.1104 30.1084 178.8282 11 L 3.9862 7.9165 120.3118 57.7694 41.9099 178.9981 12 K 3.8221 7.6506 119.2416 59.4435 32.1766 179.0222 13 V 3.3749 7.4343 118.3587 65.6738 31.3573 177.7602 14 A 3.8970 7.8914 120.5099 55.2680 18.2700 178.9070 15 D 4.2719 7.9301 116.4675 57.5932 41.0700 178.2467 16 E 3.9096 7.9203 119.6212 59.5370 29.6615 178.9611 17 T 3.8674 7.8348 115.7346 66.6348 68.4665 176.7072 18 I 3.7226 8.1896 122.3478 64.4233 37.2377 178.5987 19 S 4.1029 8.1664 115.0303 61.5293 62.7232 176.3563 20 N 4.3322 7.9717 120.1212 56.0533 38.3753 177.3782 21 L 3.9933 7.9508 120.3651 57.6909 41.6310 179.4632 22 F 3.8635 8.4722 120.6685 61.2095 39.3752 176.7367 23 E 4.2799 8.2094 120.1509 58.5957 29.1964 178.6998 24 K 3.9243 7.7742 118.3975 59.7652 32.4079 178.5638 25 Q 4.1600 7.9231 116.8570 58.3253 28.6644 177.6879 26 L 4.2091 7.9709 118.4936 53.7495 42.0858 178.4477 27 G 4.0108 8.2622 106.3043 45.5599 0.0000 173.5450 28 I 4.7342 7.1826 119.8918 58.2948 41.2007 175.3379 29 S 4.3728 8.4961 118.5887 57.9937 65.0110 175.0964 30 L 3.0840 8.3673 124.3843 58.4940 41.7247 179.5475 31 T 3.7526 7.6572 114.8299 66.8533 68.6086 176.8735 32 R 3.9081 7.7505 119.4763 59.2174 30.0124 178.6062 33 Y 3.9130 8.5840 119.9461 60.8412 38.9450 178.2111 34 S 4.2358 8.3459 116.0847 61.4070 62.8270 176.7940 35 I 3.6525 7.8120 122.6881 64.3337 36.8426 178.4204 36 L 3.9201 7.5852 119.2439 57.9269 41.3512 179.6715 37 Q 3.9524 7.9192 117.9432 59.0323 28.5190 178.9242 38 T 3.8194 7.7737 116.5717 66.6417 68.3142 176.5913 39 L 3.9209 7.5734 119.3082 57.9480 41.7462 179.4176 40 L 4.1535 8.1023 118.0588 57.4313 41.5564 179.2190 41 K 4.1883 8.1291 119.3880 58.4004 33.4572 177.2189 42 D 4.7218 8.0932 116.0256 51.9696 39.2694 174.8614 43 A 4.0691 7.6202 121.8150 51.8264 19.7894 175.7209 44 P 3.9002 0.0000 0.0000 62.3609 32.8551 175.4733 45 L 4.5364 7.2398 118.9456 53.5737 46.5005 175.7609 46 H 4.6956 8.4905 119.2951 55.0027 30.3392 176.1366 47 Q 3.9213 8.7933 120.6446 59.3999 28.7351 178.4061 48 L 3.9046 7.9436 120.5550 58.1813 42.0775 178.6881 49 A 3.9743 7.9429 120.1514 55.0268 18.3468 179.1449 50 L 3.8669 7.7612 118.3935 58.3736 42.2263 179.2656 51 Q 4.0523 8.2413 118.0791 58.8050 28.5063 178.4231 52 E 3.8657 8.1440 120.2300 59.4515 29.5757 178.9417 53 R 3.8921 8.0356 116.9401 59.1052 30.1727 177.8509 54 L 4.2672 7.8055 114.3556 54.0909 42.4306 176.2201 55 Q 3.5297 7.5678 117.4254 56.8600 26.5442 173.2225 56 I 4.6888 7.5460 108.5480 58.0453 41.2909 175.5184 57 D 4.6355 8.3245 121.8060 52.7644 41.5401 177.2596 58 R 3.8391 8.4912 118.9822 59.6375 30.0883 178.1390 59 A 3.9534 8.0172 119.7262 55.0014 18.3065 179.3115 60 A 3.8419 8.3569 119.1538 55.4638 18.4981 180.0474 61 V 3.5958 7.7873 116.6825 66.4297 31.5530 178.3225 62 T 3.8514 8.1663 115.7013 66.5147 68.2896 176.6319 63 R 3.8350 7.8494 120.0617 59.6998 30.1565 178.1192 64 H 4.1990 8.3065 116.2395 59.1517 28.7066 177.8683 65 L 4.0577 8.2701 120.7771 57.3555 41.3089 179.6156 66 K 3.9395 7.9831 119.7357 59.5557 32.2557 178.8944 67 L 4.0312 7.9626 119.2316 57.8596 41.4727 179.5984 68 L 4.2729 8.1292 120.2925 57.3056 41.7012 179.2311 69 E 4.4112 8.6061 123.2760 59.3711 29.3576 179.2986 70 E 4.0817 8.2509 117.9113 60.8981 29.9803 180.4648 71 S 4.7372 8.3038 113.2373 58.0230 63.0805 175.4257 72 G 3.8815 7.6368 109.6316 46.5077 0.0000 174.2428 73 Y 4.6315 8.3876 120.2397 59.4013 39.2731 175.3882 74 I 5.4037 7.7631 111.0538 59.1897 42.0003 174.2258 75 I 4.9365 9.1206 115.5119 59.4002 41.3094 174.3930 76 R 5.2092 8.9852 123.5138 54.6455 31.7526 175.2293 77 K 4.8176 8.8015 123.5454 54.8617 35.7161 176.0618 78 R 4.7270 8.5562 120.8411 55.7275 31.4749 175.9127 79 N 4.5264 8.9535 121.4220 52.8916 39.2711 174.0394 80 P 4.3438 0.0000 0.0000 65.9214 31.7501 177.4799 81 D 4.4836 8.3083 116.6665 56.8710 41.2659 176.9630 82 N 4.4668 8.2309 115.7551 56.0527 39.6011 174.7306 83 Q 4.4392 8.5960 117.6586 56.3077 28.2127 175.4482 84 R 4.0422 7.7454 114.8507 58.6567 30.6872 176.5349 85 E 4.1506 8.1316 120.0384 55.9604 30.7227 175.5823 86 V 4.7392 8.4378 126.8357 61.1587 33.7678 174.5348 87 L 4.6713 8.7825 127.0220 52.8226 45.0711 175.3525 88 V 4.6194 8.2589 123.1528 61.1063 33.4219 174.5288 89 W 5.2174 9.2520 127.9393 54.1887 32.5785 173.3351 90 P 5.1130 0.0000 0.0000 62.8173 32.5188 175.5889 91 T 4.4317 8.5425 112.0554 60.4291 71.1126 175.3815 92 E 3.9473 8.7454 121.3712 59.2433 29.5155 178.0880 93 Q 3.9271 8.1607 119.0374 59.2286 29.0595 178.2989 94 A 4.2794 7.8132 121.4256 55.3492 18.4870 179.5828 95 R 3.8636 8.1093 117.2346 59.5011 30.0642 178.6763 96 E 4.1971 8.9334 119.8838 58.9347 29.3393 178.9509 97 A 4.0651 8.2944 119.7364 55.1103 18.5350 178.9254 98 L 4.4183 7.8022 115.1593 55.7563 42.4208 176.5765 99 I 4.4264 7.8355 116.1641 62.7398 39.6457 176.8389 100 T 4.2132 7.7067 109.4291 63.5357 69.9707 174.6654 101 N 5.1968 8.0397 120.8867 51.6051 39.1155 171.8701 102 P 4.6903 0.0000 0.0000 62.1247 33.0910 177.1892 103 S 4.3389 8.4208 113.9703 58.1050 65.0299 174.9711 104 A 4.0001 8.5372 124.8935 55.5994 18.0441 179.6817 105 H 4.0577 8.0926 116.1451 59.9193 30.0734 177.1465 106 H 4.2427 7.8399 117.9707 58.7924 28.3686 177.8791 107 Q 3.9695 8.2616 119.7341 58.8388 28.4858 178.5178 108 A 3.9602 8.0460 121.7252 55.2707 18.1762 179.7705 109 I 3.5223 7.7034 117.0967 64.4174 37.2858 178.3449 110 K 4.0157 8.0874 118.1459 59.9439 32.0125 179.2054 111 T 4.0652 7.8946 114.5630 66.5228 68.4184 177.8553 112 S 4.1682 8.0758 112.7566 58.8530 62.1279 175.0246 *114 N 4.7248 8.0906 116.1675 52.2266 40.0840 174.7980 115 Q 4.6359 7.6769 115.0594 55.8893 29.1919 176.8775 116 I 3.8702 7.9912 120.5119 64.1713 37.4080 176.1968 117 L 4.9377 7.4537 117.8158 52.5877 44.6514 177.0123 118 T 4.2637 8.6797 112.9616 61.1036 71.0572 176.1620 119 V 3.5990 8.2139 120.5375 65.9645 31.4676 177.5098 120 E 3.9200 8.1573 118.8469 59.4425 29.6256 178.6049 121 E 4.1170 7.9699 117.1382 58.9475 29.8577 179.0151 122 S 4.0728 8.1426 114.6102 61.4923 62.5267 175.9263 123 E 4.0523 8.6170 121.7649 59.3072 29.0494 179.2262 124 Q 3.9546 8.2237 119.8410 58.9589 29.1816 177.7434 125 F 4.0474 8.2504 121.7514 61.5632 39.3902 177.2217 126 L 4.0108 8.1109 117.8379 57.4997 41.3882 179.3839 127 A 3.9557 8.0528 120.9924 55.5259 18.3311 179.8899 128 T 3.8193 8.1978 114.6484 66.3659 68.4497 176.8947 129 L 3.7511 7.6660 122.4582 58.0277 42.0050 178.7315 130 D 4.2952 8.1800 118.9960 57.2913 40.7843 178.6028 131 K 3.8497 8.0134 120.0644 59.3079 32.0715 178.5006 132 L 3.8614 7.9764 120.4871 58.2105 42.1011 178.9846 133 L 3.9543 7.8817 118.8228 57.7943 41.5564 179.5129 134 I 3.7897 8.1235 120.2261 64.3632 36.8369 178.7042 135 G 3.6024 7.7854 105.1407 47.9242 0.0000 175.4887 136 L 4.1582 7.8768 120.5305 57.4902 41.6875 179.3637 137 Q 4.1868 8.0905 117.0744 58.0636 28.6271 177.1344 138 N 4.8229 7.3959 115.6511 52.1509 39.0868 175.2790 139 L 4.2045 7.1422 120.2658 53.7049 42.4201 175.2184 140 P 4.1615 0.0000 0.0000 64.0512 31.8100 176.6039 141 I 3.5829 8.4635 121.7136 61.5677 38.9066 173.1801 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 4.36 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.30 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 E 8.28 4.50 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 2.24 2.31 0.00 *5 E 8.04 4.38 0.00 2.26 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 0.00 2.26 2.38 0.00 6 D 8.12 4.37 0.00 2.84 2.91 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 7 L 7.57 3.98 0.00 1.85 1.66 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.88 3.99 0.00 1.94 1.74 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.60 4.10 0.00 3.09 3.03 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 0.00 10 R 8.23 3.80 0.00 2.10 1.97 0.00 3.37 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 11 L 7.92 3.99 0.00 1.93 1.85 0.98 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.65 3.82 0.00 1.80 1.62 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 13 V 7.43 3.37 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 0.88 0.00 0.00 0.32 0.00 0.00 14 A 7.89 3.90 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 15 D 7.93 4.27 0.00 2.80 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 16 E 7.92 3.91 0.00 2.08 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 0.00 2.30 2.22 0.00 17 T 7.83 3.87 4.35 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 1.20 0.00 0.00 18 I 8.19 3.72 1.97 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 1.56 0.68 0.88 0.00 0.00 19 S 8.17 4.10 0.00 4.04 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 20 N 7.97 4.33 0.00 2.85 2.92 0.00 0.00 7.04 6.92 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 21 L 7.95 3.99 0.00 1.99 1.73 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.47 3.86 0.00 3.15 2.95 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 23 E 8.21 4.28 0.00 2.37 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 2.46 2.38 0.00 24 K 7.77 3.92 0.00 1.98 1.99 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 25 Q 7.92 4.16 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 26 L 7.97 4.21 0.00 1.22 1.37 0.60 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.26 4.01 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 0.00 0.00 0.00 28 I 7.18 4.73 2.07 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.08 0.92 0.00 0.00 29 S 8.50 4.37 0.00 4.08 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 30 L 8.37 3.08 0.00 1.27 1.45 -0.27 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.66 3.75 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 0.99 0.00 0.00 32 R 7.75 3.91 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 33 Y 8.58 3.91 0.00 3.28 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 34 S 8.35 4.24 0.00 4.03 3.88 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 35 I 7.81 3.65 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.88 0.00 0.00 36 L 7.59 3.92 0.00 1.53 1.52 0.41 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.92 3.95 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 38 T 7.77 3.82 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 1.22 0.00 0.00 39 L 7.57 3.92 0.00 1.79 1.73 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.10 4.15 0.00 1.68 1.73 0.86 0.88 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 41 K 8.13 4.19 0.00 1.80 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.44 7.81 42 D 8.09 4.72 0.00 2.71 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 43 A 7.62 4.07 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 44 P 0.00 3.90 0.00 1.55 0.67 0.00 3.42 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.25 0.00 45 L 7.24 4.54 0.00 1.26 1.39 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.49 4.70 0.00 3.05 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.79 3.92 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 48 L 7.94 3.90 0.00 1.78 1.64 0.91 1.17 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 49 A 7.94 3.97 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 50 L 7.76 3.87 0.00 1.95 1.79 0.87 0.86 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 51 Q 8.24 4.05 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 52 E 8.14 3.87 0.00 2.04 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 0.00 2.29 2.34 0.00 53 R 8.04 3.89 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 54 L 7.81 4.27 0.00 1.75 1.67 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.57 3.53 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 56 I 7.55 4.69 1.89 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 1.34 0.66 0.91 0.00 0.00 57 D 8.32 4.64 0.00 2.97 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 58 R 8.49 3.84 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 59 A 8.02 3.95 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 60 A 8.36 3.84 1.44 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 0.00 0.00 61 V 7.79 3.60 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 1.11 0.00 0.00 0.95 0.00 0.00 62 T 8.17 3.85 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 63 R 7.85 3.84 0.00 1.87 1.98 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 64 H 8.31 4.20 0.00 3.34 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.27 4.06 0.00 1.83 1.74 0.96 1.21 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 66 K 7.98 3.94 0.00 2.02 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 67 L 7.96 4.03 0.00 1.95 1.76 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.13 4.27 0.00 1.81 1.84 0.98 0.51 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 69 E 8.61 4.41 0.00 2.17 2.13 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 2.33 2.36 0.00 70 E 8.25 4.08 0.00 2.11 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 2.26 2.19 0.00 71 S 8.30 4.74 0.00 4.15 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 0.00 72 G 7.64 3.88 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 0.00 0.00 0.00 73 Y 8.39 4.63 0.00 3.07 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 74 I 7.76 5.40 2.03 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 1.46 1.26 0.98 0.00 0.00 75 I 9.12 4.94 1.95 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 1.35 1.36 0.95 0.00 0.00 76 R 8.99 5.21 0.00 1.73 1.94 0.00 3.17 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 77 K 8.80 4.82 0.00 2.01 1.99 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.25 7.81 78 R 8.56 4.73 0.00 2.02 2.04 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 79 N 8.95 4.53 0.00 2.88 2.75 0.00 0.00 7.29 7.33 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 80 P 0.00 4.34 0.00 2.09 2.13 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 81 D 8.31 4.48 0.00 2.69 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 82 N 8.23 4.47 0.00 2.70 2.85 0.00 0.00 7.10 7.08 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 83 Q 8.60 4.44 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 84 R 7.75 4.04 0.00 2.06 1.99 0.00 3.32 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 85 E 8.13 4.15 0.00 2.06 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 2.46 2.29 0.00 86 V 8.44 4.74 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 0.89 0.00 0.00 0.99 0.00 0.00 87 L 8.78 4.67 0.00 1.68 0.98 1.04 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.26 4.62 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 0.93 0.00 0.00 0.87 0.00 0.00 89 W 9.25 5.22 0.00 3.29 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 90 P 0.00 5.11 0.00 2.14 2.09 0.00 4.10 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 91 T 8.54 4.43 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 1.29 0.00 0.00 92 E 8.75 3.95 0.00 2.09 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 2.37 2.52 0.00 93 Q 8.16 3.93 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 94 A 7.81 4.28 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 0.00 0.00 0.00 0.00 0.00 95 R 8.11 3.86 0.00 1.94 2.09 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 96 E 8.93 4.20 0.00 2.12 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 2.44 0.00 97 A 8.29 4.07 1.54 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 0.00 0.00 98 L 7.80 4.42 0.00 1.69 1.62 0.78 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.84 4.43 1.98 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 1.35 0.88 0.92 0.00 0.00 100 T 7.71 4.21 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 0.00 101 N 8.04 5.20 0.00 2.63 2.75 0.00 0.00 7.22 7.56 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 0.00 102 P 0.00 4.69 0.00 2.27 2.23 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 103 S 8.42 4.34 0.00 4.04 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 0.00 104 A 8.54 4.00 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 0.00 105 H 8.09 4.06 0.00 3.20 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.84 4.24 0.00 3.18 3.32 0.00 5.69 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 0.00 107 Q 8.26 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 108 A 8.05 3.96 1.38 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 0.00 0.00 0.00 109 I 7.70 3.52 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.70 0.00 0.00 110 K 8.09 4.02 0.00 2.07 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.37 7.81 111 T 7.89 4.07 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 1.20 0.00 0.00 112 S 8.08 4.17 0.00 3.91 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 *114 N 8.09 4.72 0.00 2.77 2.89 0.00 0.00 6.90 7.69 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 0.00 115 Q 7.68 4.64 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.26 0.00 116 I 7.99 3.87 1.82 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 1.38 0.67 0.86 0.00 0.00 117 L 7.45 4.94 0.00 1.53 1.48 0.70 0.77 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 0.00 118 T 8.68 4.26 4.24 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 1.21 0.00 0.00 119 V 8.21 3.60 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 1.10 0.00 0.00 0.94 0.00 0.00 120 E 8.16 3.92 0.00 2.08 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 2.39 2.38 0.00 121 E 7.97 4.12 0.00 2.25 2.21 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 2.51 2.29 0.00 122 S 8.14 4.07 0.00 4.00 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 0.00 123 E 8.62 4.05 0.00 2.10 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 2.35 2.45 0.00 124 Q 8.22 3.95 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 125 F 8.25 4.05 0.00 3.34 3.24 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 0.00 126 L 8.11 4.01 0.00 1.83 1.73 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.05 3.96 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 0.00 128 T 8.20 3.82 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 1.12 0.00 0.00 129 L 7.67 3.75 0.00 1.46 1.66 0.79 0.99 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 0.00 130 D 8.18 4.30 0.00 2.84 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 0.00 131 K 8.01 3.85 0.00 1.93 1.91 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 132 L 7.98 3.86 0.00 1.85 1.78 0.89 0.46 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 0.00 133 L 7.88 3.95 0.00 1.85 1.68 0.89 0.64 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 0.00 134 I 8.12 3.79 1.93 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 1.44 0.89 0.90 0.00 0.00 135 G 7.79 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.88 4.16 0.00 1.61 1.73 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.09 4.19 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.29 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 138 N 7.40 4.82 0.00 2.66 2.81 0.00 0.00 7.02 8.54 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 0.00 139 L 7.14 4.20 0.00 1.63 1.60 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.16 0.00 2.03 1.99 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 141 I 8.46 3.58 1.87 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 1.27 0.64 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.