NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1654 8.0549 120.3141 61.4980 32.7574 174.2571 2 L 4.5274 8.1214 120.0004 50.9558 44.3137 175.7541 3 S 4.5549 9.7634 118.3704 57.5318 66.4020 174.7511 4 E 4.2510 8.8106 122.1833 59.6381 29.4285 178.9772 5 G 3.6996 8.0984 104.8453 47.3605 0.0000 175.4552 6 E 3.9980 7.9031 120.8953 59.1089 29.4835 179.2411 7 W 4.3277 8.1648 119.0639 59.7710 28.9639 178.6519 8 Q 4.1796 8.3808 118.3081 58.9139 28.1469 178.6345 9 L 4.1013 7.9818 119.5728 57.4414 41.5872 179.7111 10 V 3.7865 7.8005 118.5415 66.0202 31.3322 178.1294 11 L 4.2564 8.3548 118.7666 57.7208 41.2156 179.0137 12 H 4.2379 8.3679 118.3435 59.2548 30.0850 177.5253 13 V 3.7395 8.0414 120.8578 64.2234 31.2672 178.1049 14 W 3.8551 8.4597 129.2260 60.1398 30.2576 177.5615 15 A 4.1379 7.5924 120.0318 55.2813 18.0749 179.4652 16 K 3.9021 7.6458 116.7249 59.4480 32.0565 179.7686 17 V 2.7834 6.9896 118.0102 65.6081 31.0838 177.6976 18 E 3.8709 7.5725 117.0431 58.5888 29.3187 178.2582 19 A 4.2592 7.4961 118.9563 52.6207 20.1623 177.3822 20 D 4.6217 7.6952 115.2543 52.2601 43.3150 175.8454 21 V 3.4261 7.7447 123.9744 65.9253 32.2927 176.4956 22 A 4.0380 8.1091 120.1283 55.3099 18.1317 179.7619 23 G 4.0262 8.1477 104.7814 47.8966 0.0000 175.5840 24 H 4.1858 8.6572 119.5018 58.3572 28.6049 178.1887 25 G 3.5828 8.8352 108.1565 47.8447 0.0000 175.8747 26 Q 3.9094 7.9284 119.9633 58.7643 28.6451 178.3545 27 D 4.2905 7.8464 119.5308 57.3364 40.8242 179.0164 28 I 3.6476 7.6259 120.1912 64.4700 37.1591 178.5863 29 L 3.6018 7.9244 119.8757 57.5770 41.3221 179.6781 30 I 3.7783 7.8838 120.1678 64.0437 36.8916 178.3834 31 R 3.7849 8.1426 119.9398 59.2808 30.0494 177.9765 32 L 3.9022 7.6528 119.9898 58.5944 42.1076 179.1709 33 F 4.5648 7.8607 117.3094 60.3673 38.5529 177.9241 34 K 4.0062 8.1101 117.8285 59.6009 32.0092 179.2888 35 S 4.2936 8.1163 113.1621 60.2983 64.5984 174.3572 36 H 4.8701 7.9974 118.9007 52.3685 29.6031 171.9516 37 P 4.9989 0.0000 0.0000 64.4188 31.0376 177.6140 38 E 4.2689 8.3229 116.5776 59.4386 29.4414 179.0304 39 T 3.7876 8.1422 110.8041 64.1808 68.7805 176.3256 40 L 3.9401 8.1627 123.7184 58.1594 41.8098 178.6200 41 E 4.1243 7.8084 116.4074 58.9473 29.4431 178.8951 42 K 4.3629 8.1441 117.2115 56.9562 32.8143 176.9999 43 F 4.6571 8.3259 119.5624 55.2797 38.7112 175.6764 44 D 4.3427 8.6714 128.5802 57.8364 41.1014 179.2434 *45 R 4.1037 7.9106 116.3070 58.9494 29.5614 180.0348 46 F 4.9232 7.7476 118.6055 59.0850 40.0011 178.9455 *47 K 4.0062 8.0128 122.3636 58.0106 31.4039 181.7174 48 H 4.5820 8.1232 111.4799 55.6448 28.5602 175.0178 49 L 4.2259 8.3173 121.8054 54.3574 41.0040 176.9707 50 K 4.1560 8.2657 123.9459 58.5788 32.5056 177.5696 51 T 4.6976 7.3160 107.7762 59.0587 73.2029 174.1953 52 E 3.8733 8.6315 120.2526 59.2095 29.7121 178.2471 53 A 3.9668 7.8783 120.3668 55.3910 18.3387 179.3903 54 E 3.9889 7.8693 115.2144 59.4177 29.8502 179.2263 55 M 4.1553 8.1483 119.3969 58.2660 31.7920 178.7140 56 K 3.9045 8.2457 117.7780 59.3497 32.3475 178.6015 57 A 4.3100 7.6059 118.2402 52.1196 18.8565 177.1152 58 S 4.3442 7.3813 113.5579 57.0512 63.1568 174.3156 59 E 3.9372 8.9466 128.8558 59.4421 29.3679 178.2221 60 D 4.4544 8.1360 118.4237 57.5062 40.9266 178.4841 61 L 3.1705 8.3191 121.0135 57.6749 41.9946 178.9424 62 K 3.8774 7.9853 119.6771 59.4000 32.1752 179.0031 63 K 4.0253 8.6799 119.1960 59.5622 31.9411 178.8020 64 H 4.3893 8.7837 118.9726 59.2670 29.8968 177.1826 65 G 3.8685 8.2187 107.9453 48.2543 0.0000 175.6627 66 V 3.7202 7.6616 120.3404 65.6823 31.6046 178.2704 67 T 3.8844 7.7915 115.1259 66.5569 68.3240 176.6845 68 V 3.6331 7.7812 120.0051 66.2580 31.5904 178.1471 69 L 4.2095 8.5663 118.8505 57.9804 41.3284 179.7299 70 T 3.9647 8.4114 116.1150 66.4681 68.3800 176.6504 71 A 3.9441 7.9563 122.2461 55.0251 18.4474 179.0500 72 L 3.7120 8.0576 119.2139 58.5047 42.0809 179.5182 73 G 3.0925 8.1770 104.9927 47.5233 0.0000 175.3702 74 A 3.9550 7.8892 122.2679 54.8656 18.6683 179.4867 75 I 3.7377 7.6469 118.1783 64.7008 37.2614 178.5376 76 L 3.9623 7.8786 119.9652 57.8339 41.2033 179.4727 77 K 4.0651 7.5448 116.1877 57.9217 32.2194 178.4498 78 K 3.9708 7.9358 118.5778 55.6907 33.1262 176.2097 79 K 2.0000 8.0606 118.5852 56.0963 29.7966 173.2863 80 G 4.1425 7.7083 105.9124 46.1871 0.0000 173.3939 81 H 4.5019 7.6339 118.1888 55.3447 27.7444 174.9765 82 H 5.6191 7.3774 109.8831 54.1513 29.7465 176.6302 83 E 4.0081 8.5397 121.1665 60.4069 28.9661 178.0472 84 A 3.9671 7.8923 120.0989 54.9374 18.9972 178.9389 85 E 4.0759 8.1273 116.4795 59.6245 29.6403 179.3290 86 L 4.0370 8.5804 120.6206 57.7952 42.0109 178.8217 87 K 3.8677 8.2766 119.0727 59.1753 32.0001 177.1577 88 P 4.2508 0.0000 0.0000 66.0549 30.8183 178.3996 89 L 4.0284 7.9121 117.8269 57.5167 41.7388 179.0129 90 A 4.2501 8.1678 123.2388 55.8714 18.2826 180.2518 91 Q 4.0066 8.4089 119.6677 60.5642 28.2166 181.0134 92 S 4.4730 8.5534 117.0110 60.8199 63.1920 176.4502 93 G 3.7520 8.5822 108.9553 46.5083 0.0000 175.7576 94 A 3.0113 8.1550 123.1667 54.7060 18.7967 179.1392 95 T 3.9497 7.9041 106.9942 63.2502 69.4067 175.4937 96 K 4.1195 7.4372 120.4050 58.1434 33.2729 176.8319 97 H 4.3451 8.0580 115.0718 56.0005 29.5724 175.5582 98 K 3.5905 7.2976 116.7868 55.9179 28.4730 174.2658 99 I 4.4092 7.1722 118.3697 58.5431 39.1966 174.7083 100 P 4.4841 0.0000 0.0000 62.3322 32.0120 177.2263 101 I 3.6738 8.3624 121.3875 64.6021 36.8950 178.6181 102 K 3.8295 7.8256 119.7485 59.8537 32.0463 178.1902 103 Y 4.0844 7.6114 116.3756 61.1810 37.7344 178.7373 104 L 4.2687 7.8158 119.1603 57.3924 41.8461 179.1099 105 E 4.1085 8.3480 119.4082 59.2436 29.4477 179.1352 106 F 4.5164 8.2053 118.0243 60.7292 38.9639 177.5500 107 I 3.8157 8.1873 118.2960 64.2362 37.7927 178.1312 108 S 4.2887 8.3626 116.1598 61.5304 62.6193 176.4886 109 E 4.0592 8.4728 121.1899 59.4138 29.2519 179.2441 110 A 4.0534 8.2264 120.7559 55.1217 18.4495 179.6086 111 I 3.6731 8.3856 118.6404 64.6620 37.1493 178.5479 112 I 3.8718 7.8771 120.4462 64.7855 36.9198 177.7326 113 H 4.0804 8.3108 118.9166 59.5305 29.6626 177.4201 114 V 3.4894 7.8749 119.8013 65.9309 31.3635 178.0448 115 L 3.9005 7.8342 118.8192 57.7298 41.0327 178.9394 116 H 4.4259 8.0861 117.9525 59.1912 29.9529 177.0897 117 S 4.1369 7.9893 116.4688 61.5275 62.7029 176.3839 118 R 4.0749 8.0913 119.6890 57.5961 30.7976 176.4464 119 H 5.0130 8.0894 116.1702 53.8997 30.1318 173.4848 120 P 4.2501 0.0000 0.0000 66.1096 30.9862 178.6861 121 G 3.7251 8.1932 106.1483 47.1478 0.0000 173.4695 122 D 5.0048 8.7159 118.1807 53.9910 42.0826 176.2938 123 F 5.0661 8.4499 120.0049 56.3511 39.4060 174.0313 124 G 3.9428 7.5694 109.6707 43.4697 0.0000 171.6638 125 A 3.8621 8.4316 121.0181 55.2684 18.2253 179.5243 126 D 4.1865 7.9752 116.6507 56.7365 39.4718 178.5476 127 A 3.9297 7.7420 122.1230 54.4927 18.3798 179.1179 128 Q 2.9885 8.0443 118.5945 58.7633 29.1018 178.6514 129 G 3.5280 7.9879 106.4921 47.8141 0.0000 175.2114 130 A 3.8610 7.7993 123.9542 54.9093 18.3458 179.3348 131 M 4.0071 8.5473 116.8131 58.7716 32.3313 177.6977 132 N 4.2983 8.4395 117.4855 56.7863 39.0657 176.9344 133 K 3.8887 7.8890 118.9968 59.3546 32.1640 179.1286 134 A 3.8280 7.7893 120.9448 55.2985 18.3587 179.7829 135 L 4.0842 8.3968 117.7189 57.6126 41.6211 179.3822 136 E 4.0040 8.2278 119.7689 58.9006 29.5637 178.3728 137 L 3.9621 8.4512 120.9309 58.1412 42.0702 178.6577 138 F 4.1539 8.2942 120.3768 61.6462 39.3012 177.2864 139 R 3.5563 8.0722 117.4269 58.9790 29.9209 179.0746 140 K 3.8812 8.0140 119.4811 59.4689 32.2173 178.7497 141 D 4.3293 8.0437 119.2522 57.2449 40.7212 178.8116 142 I 3.2824 7.6847 120.3226 64.1204 36.9771 177.9951 143 A 3.7350 7.7204 121.4268 55.2386 18.1235 179.5580 144 A 3.8977 7.7210 118.3973 55.3707 18.0752 180.0201 145 K 3.9630 7.9325 116.9965 59.8086 32.0516 179.1063 146 Y 4.4710 8.4488 117.4523 61.2231 37.7990 179.0516 147 K 4.2558 7.8635 120.3090 59.0757 31.9924 179.1655 148 E 4.2428 8.1496 117.6437 59.0058 29.4226 178.4943 149 L 4.5272 7.4582 115.8410 54.2990 42.0545 177.3237 150 G 3.9396 8.5920 107.9441 45.2548 0.0000 172.5401 151 Y 4.7928 8.0274 121.4593 55.3937 40.8764 175.7266 152 Q 3.8683 7.8889 123.4597 55.9316 28.4939 177.1786 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 V 8.05 4.17 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 0.94 0.00 0.00 1.06 0.00 0.00 2 L 8.12 4.53 0.00 0.68 0.98 0.49 -0.52 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 3 S 9.76 4.55 0.00 3.96 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 4 E 8.81 4.25 0.00 2.20 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 2.43 2.52 0.00 5 G 8.10 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 6 E 7.90 4.00 0.00 1.83 1.76 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 2.24 2.26 0.00 7 W 8.16 4.33 0.00 3.58 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 8 Q 8.38 4.18 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 9 L 7.98 4.10 0.00 1.86 1.77 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.80 3.79 2.47 0.00 0.00 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 0.91 0.00 0.00 11 L 8.35 4.26 0.00 2.12 1.81 1.00 0.89 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 12 H 8.37 4.24 0.00 3.26 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.04 3.74 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 1.08 0.00 0.00 0.81 0.00 0.00 14 W 8.46 3.86 0.00 3.69 3.22 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 15 A 7.59 4.14 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 16 K 7.65 3.90 0.00 1.33 1.57 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.38 7.81 17 V 6.99 2.78 0.94 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 0.23 0.00 0.00 0.10 0.00 0.00 18 E 7.57 3.87 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 19 A 7.50 4.26 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 20 D 7.70 4.62 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.74 3.43 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 0.99 0.00 0.00 0.87 0.00 0.00 22 A 8.11 4.04 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 23 G 8.15 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 0.00 0.00 0.00 24 H 8.66 4.19 0.00 3.26 3.25 0.00 5.82 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 25 G 8.84 3.58 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 0.00 0.00 0.00 26 Q 7.93 3.91 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 27 D 7.85 4.29 0.00 2.70 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 28 I 7.63 3.65 1.96 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 1.50 0.98 0.88 0.00 0.00 29 L 7.92 3.60 0.00 1.44 1.09 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.88 3.78 2.06 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 0.82 0.90 0.00 0.00 31 R 8.14 3.78 0.00 1.94 2.11 0.00 3.05 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.65 3.90 0.00 1.69 1.41 1.04 0.82 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 33 F 7.86 4.56 0.00 3.12 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 34 K 8.11 4.01 0.00 2.43 1.85 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.32 7.81 35 S 8.12 4.29 0.00 3.60 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 36 H 8.00 4.87 0.00 3.27 3.06 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 5.00 0.00 2.11 2.13 0.00 4.12 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 2.12 1.89 0.00 38 E 8.32 4.27 0.00 2.32 2.33 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 2.48 2.61 0.00 39 T 8.14 3.79 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 0.82 0.00 0.00 40 L 8.16 3.94 0.00 1.66 1.81 -0.73 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.81 4.12 0.00 2.25 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 2.39 2.44 0.00 42 K 8.14 4.36 0.00 1.53 1.51 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.60 1.79 7.81 43 F 8.33 4.66 0.00 3.06 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.67 4.34 0.00 2.58 2.70 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 *45 R 7.91 4.10 0.00 1.83 1.86 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 46 F 7.75 4.92 0.00 2.80 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 *47 K 8.01 4.01 0.00 1.79 1.75 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.31 7.81 48 H 8.12 4.58 0.00 3.25 3.42 0.00 5.49 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.32 4.23 0.00 1.65 1.65 0.88 0.99 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 50 K 8.27 4.16 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.36 7.81 51 T 7.32 4.70 4.23 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 1.20 0.00 0.00 52 E 8.63 3.87 0.00 2.05 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 0.00 2.36 2.36 0.00 53 A 7.88 3.97 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 54 E 7.87 3.99 0.00 1.96 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 2.32 0.00 55 M 8.15 4.16 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 56 K 8.25 3.90 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.55 7.81 57 A 7.61 4.31 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 58 S 7.38 4.34 0.00 3.89 3.84 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 59 E 8.95 3.94 0.00 2.09 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 2.39 2.41 0.00 60 D 8.14 4.45 0.00 2.92 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 61 L 8.32 3.17 0.00 1.16 1.65 0.49 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.99 3.88 0.00 1.95 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.68 4.03 0.00 1.93 1.91 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 64 H 8.78 4.39 0.00 3.57 3.63 0.00 5.82 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 65 G 8.22 3.87 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 0.00 0.00 0.00 66 V 7.66 3.72 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 1.13 0.00 0.00 1.02 0.00 0.00 67 T 7.79 3.88 4.51 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 0.00 0.00 0.00 1.31 0.00 0.00 68 V 7.78 3.63 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 1.09 0.00 0.00 0.85 0.00 0.00 69 L 8.57 4.21 0.00 1.74 1.87 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.41 3.96 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 7.96 3.94 1.42 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 72 L 8.06 3.71 0.00 1.63 1.66 0.20 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.18 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.89 3.96 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 75 I 7.65 3.74 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.88 0.00 0.00 76 L 7.88 3.96 0.00 1.18 1.63 -0.07 0.59 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 77 K 7.54 4.07 0.00 1.79 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.44 7.81 78 K 7.94 3.97 0.00 1.83 1.77 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.56 1.59 7.81 79 K 8.06 2.00 0.00 1.15 0.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.63 0.95 7.81 80 G 7.71 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 81 H 7.63 4.50 0.00 3.17 3.25 0.00 5.60 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 82 H 7.38 5.62 0.00 3.27 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.54 4.01 0.00 2.19 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 0.00 2.37 2.32 0.00 84 A 7.89 3.97 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 85 E 8.13 4.08 0.00 2.27 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 2.40 2.44 0.00 86 L 8.58 4.04 0.00 1.77 1.74 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.28 3.87 0.00 1.96 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.59 7.81 88 P 0.00 4.25 0.00 2.37 2.35 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 89 L 7.91 4.03 0.00 2.03 1.81 1.12 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.17 4.25 1.42 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 91 Q 8.41 4.01 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 92 S 8.55 4.47 0.00 3.98 4.32 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 93 G 8.58 3.75 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 0.00 0.00 0.00 94 A 8.15 3.01 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 95 T 7.90 3.95 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 1.23 0.00 0.00 96 K 7.44 4.12 0.00 1.55 1.62 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 1.31 7.81 97 H 8.06 4.35 0.00 3.15 3.20 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.30 3.59 0.00 1.73 1.50 0.00 1.62 0.00 0.00 2.06 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.92 1.19 7.81 99 I 7.17 4.41 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 1.16 0.00 0.00 100 P 0.00 4.48 0.00 1.88 1.95 0.00 2.88 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 0.81 1.74 0.00 101 I 8.36 3.67 1.81 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 0.85 0.00 0.00 102 K 7.83 3.83 0.00 1.67 1.51 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 1.05 7.81 103 Y 7.61 4.08 0.00 3.26 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 0.00 104 L 7.82 4.27 0.00 1.88 1.83 0.77 1.15 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 0.00 105 E 8.35 4.11 0.00 2.11 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 2.36 2.47 0.00 106 F 8.21 4.52 0.00 3.25 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 0.00 107 I 8.19 3.82 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 1.10 0.00 0.00 108 S 8.36 4.29 0.00 4.15 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 0.00 109 E 8.47 4.06 0.00 2.19 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 2.60 2.69 0.00 110 A 8.23 4.05 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 0.00 111 I 8.39 3.67 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.04 1.03 0.00 0.00 112 I 7.88 3.87 2.01 0.00 0.00 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 1.71 0.97 1.13 0.00 0.00 113 H 8.31 4.08 0.00 3.35 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.87 3.49 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 0.84 0.00 0.00 0.93 0.00 0.00 115 L 7.83 3.90 0.00 1.15 0.25 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.09 4.43 0.00 3.55 3.46 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.14 0.00 3.83 3.81 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 0.00 118 R 8.09 4.07 0.00 1.58 1.45 0.00 3.03 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 119 H 8.09 5.01 0.00 3.08 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.25 0.00 2.27 2.22 0.00 3.41 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 121 G 8.19 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 0.00 122 D 8.72 5.00 0.00 2.67 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 0.00 123 F 8.45 5.07 0.00 2.94 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 0.00 124 G 7.57 3.94 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 0.00 0.00 0.00 125 A 8.43 3.86 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 0.00 126 D 7.98 4.19 0.00 2.87 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 0.00 127 A 7.74 3.93 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 0.00 128 Q 8.04 2.99 0.00 1.43 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 129 G 7.99 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.80 3.86 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 0.00 131 M 8.55 4.01 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.87 0.00 132 N 8.44 4.30 0.00 3.07 2.79 0.00 0.00 7.25 6.62 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 0.00 133 K 7.89 3.89 0.00 1.89 1.67 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 7.79 3.83 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 0.00 135 L 8.40 4.08 0.00 1.73 1.82 1.01 0.59 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 0.00 136 E 8.23 4.00 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 137 L 8.45 3.96 0.00 1.85 1.97 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.29 4.15 0.00 3.02 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 0.00 139 R 8.07 3.56 0.00 2.19 1.91 0.00 3.18 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 140 K 8.01 3.88 0.00 1.91 1.94 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 141 D 8.04 4.33 0.00 2.74 2.70 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 0.00 142 I 7.68 3.28 1.51 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 -0.02 0.00 0.00 143 A 7.72 3.74 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 0.00 144 A 7.72 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 0.00 145 K 7.93 3.96 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 146 Y 8.45 4.47 0.00 3.05 3.21 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 0.00 147 K 7.86 4.26 0.00 2.02 1.86 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.38 7.81 148 E 8.15 4.24 0.00 2.18 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 2.36 2.52 0.00 149 L 7.46 4.53 0.00 1.77 1.71 1.02 0.97 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 0.00 150 G 8.59 3.94 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 0.00 0.00 0.00 151 Y 8.03 4.79 0.00 2.67 2.70 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 0.00 152 Q 7.89 3.87 0.00 1.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.