NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3292 8.1693 120.6328 53.6400 43.0727 176.3292 4 P 4.5018 0.0000 0.0000 62.8587 32.2252 173.8576 5 R 4.8172 9.2674 119.9864 54.4036 33.8175 176.4673 6 V 4.7171 8.3638 122.2791 60.4422 34.3834 174.8213 7 G 4.3044 8.8558 108.4024 44.9816 0.0000 170.9780 8 L 5.3105 8.4787 121.1993 53.4854 45.6052 175.4767 9 G 4.4326 9.2217 111.5142 44.8746 0.0000 171.4507 10 T 5.3275 8.3638 111.7515 60.0239 72.5312 172.3829 11 D 4.7299 8.5650 120.3028 53.2543 45.2639 174.1271 12 V 4.8756 8.0775 123.3350 61.6521 34.6218 173.9973 13 H 5.1257 8.9757 123.5731 53.1517 33.3520 171.2078 14 P 4.8775 0.0000 0.0000 62.4932 32.5602 175.9181 15 I 4.1662 8.2468 125.0567 61.4276 38.0337 175.2174 16 E 4.5560 9.2184 128.3179 53.9509 31.2539 175.1246 17 A 4.2968 8.5787 130.7854 53.8630 18.7818 177.5910 18 G 3.9591 10.4023 112.6570 45.0750 0.0000 173.6320 19 R 4.1988 7.7714 121.3582 55.1018 31.1944 173.9750 20 P 4.4670 0.0000 0.0000 63.5227 32.8398 175.2493 21 C 4.6120 8.8509 124.3251 58.7147 31.8003 171.6471 22 R 4.9657 8.3082 125.0506 54.3734 30.7516 175.7163 23 L 4.6682 8.9527 124.6025 54.9394 45.3428 175.3389 24 L 3.8187 9.5761 124.3885 56.0980 39.1372 174.3242 25 C 3.9578 8.8226 112.3708 60.6516 26.3655 172.9457 26 L 4.6900 7.8339 119.0651 52.7670 44.1990 174.6454 27 E 5.1968 8.3325 120.2649 54.6368 31.5879 174.7028 28 F 4.7451 8.9688 126.1741 55.8031 39.1341 175.8744 29 D 4.4946 8.7776 123.1042 54.6102 42.3495 175.6678 30 D 4.4444 8.8898 117.2970 54.8763 38.2139 173.1427 31 A 4.6728 7.3871 116.6267 51.3754 22.9457 176.0145 32 D 5.0966 8.5332 118.3670 52.7507 43.8435 177.4739 33 G 4.0616 8.6633 109.7031 45.2914 0.0000 171.7774 34 C 5.3472 8.3886 115.7326 57.6045 31.3356 173.6222 35 A 4.0361 8.4576 124.5699 51.2412 17.7835 177.0787 *38 S 4.3585 8.6073 118.2659 58.8448 62.7642 174.9226 39 D 4.5006 8.8455 118.3637 52.9918 39.4590 176.9263 40 G 3.7427 7.5104 106.7960 47.3259 0.0000 174.2884 41 D 4.8021 8.1952 121.2430 52.5053 41.2011 176.8695 42 V 4.1686 8.4407 129.9160 64.0296 31.5333 178.0899 43 A 3.9564 8.0114 120.9241 54.8555 18.3752 179.1327 44 A 3.9576 8.2976 119.3130 55.6392 18.4392 179.5266 45 H 4.0825 8.1929 114.1960 59.0680 28.7670 177.8086 46 A 4.0071 8.0639 122.3929 55.2089 18.2013 179.6828 47 L 3.9145 8.0803 117.3580 58.0960 41.6333 179.3724 48 C 4.1039 8.2182 116.6777 63.2060 28.1362 176.1176 49 D 4.3283 8.1807 120.0381 57.1200 40.3503 178.7472 50 A 4.0742 8.2596 121.5762 55.1835 18.2786 179.7204 51 L 3.8963 7.9897 117.5031 57.8908 41.6754 179.8181 52 L 3.9560 8.2552 119.6011 57.6544 41.6239 179.7282 53 S 4.0725 8.2153 114.1162 61.3347 62.7641 176.1547 54 A 4.0830 8.0412 124.5985 53.7545 18.1677 178.5707 55 A 3.3757 7.3468 115.8016 50.9571 19.1900 177.5686 56 G 3.7979 7.4949 105.0275 46.6558 0.0000 174.5801 57 L 4.4788 8.4064 117.5194 53.9707 42.7309 177.3088 58 G 3.9970 8.8565 103.9601 44.2154 0.0000 171.2709 59 D 4.8510 8.5051 120.6203 50.9924 42.8943 175.8346 60 L 4.1906 8.6506 117.9773 58.5441 41.4653 180.0184 61 G 3.6514 8.1624 104.8521 47.9822 0.0000 175.4889 62 T 3.8660 7.5992 117.1100 66.2321 68.5938 175.7767 63 I 3.9721 7.2048 112.5060 62.0290 38.5379 177.0368 64 F 4.3702 8.5119 117.8201 57.9482 40.1319 177.7907 65 G 3.8888 8.2955 107.2487 45.8857 0.0000 172.3780 66 T 4.5902 7.8977 108.8107 61.1405 71.3295 173.7197 67 D 4.6571 9.0132 124.3126 55.0961 38.9260 174.0100 68 R 4.2028 7.5251 118.1276 55.3434 30.4802 176.6107 69 P 4.3275 0.0000 0.0000 65.5509 31.4484 178.0205 70 Q 3.9020 7.8648 115.1252 57.1831 29.1278 176.3201 71 W 4.8723 7.8990 118.0839 56.1548 29.9314 175.1721 72 R 4.0725 7.4622 119.2788 57.9892 29.4873 176.9206 73 G 3.9506 9.0403 113.7057 45.1439 0.0000 173.1842 74 A 4.2893 7.6757 123.0623 52.1308 19.0647 178.2049 75 S 4.7306 9.1325 118.2865 56.8184 66.3223 175.6895 76 G 3.6407 8.7049 107.7966 47.9568 0.0000 175.7159 77 A 4.0100 7.9243 122.4117 55.1135 18.5731 179.2636 78 D 4.4222 7.9042 117.5213 57.7772 40.8434 179.0338 79 M 3.8925 7.9725 119.1295 58.3349 31.9212 178.7883 80 I 3.7356 7.9294 120.0527 64.5649 37.4384 178.6584 81 R 4.0051 8.1105 118.7777 59.5222 29.9010 178.7018 82 H 4.2993 8.3543 117.8247 59.3294 29.9838 177.4165 83 V 3.5112 8.2942 120.5451 65.9739 31.3160 177.7673 84 R 4.0116 8.6242 118.9616 59.5544 29.8463 178.7726 85 G 3.6263 8.0533 104.9962 47.7222 0.0000 175.7338 86 L 3.9825 7.9152 121.4332 57.4392 41.5330 179.8338 87 V 3.6425 7.8890 118.1415 66.1658 31.5414 177.9913 88 E 4.3660 8.2338 119.6681 59.0909 29.0855 179.1069 89 N 4.4930 8.2986 115.1939 55.5669 38.7171 176.5322 90 A 4.3431 7.8579 120.1506 52.5465 18.7404 177.8912 91 G 3.6921 8.1559 106.6246 45.1121 0.0000 172.8262 92 F 5.3148 7.9119 117.5768 55.5287 41.6954 174.9381 93 V 4.3278 8.8085 122.5864 61.7112 33.4826 174.6013 94 I 4.3769 8.3586 128.2735 60.6343 37.5887 175.7236 95 G 3.9118 9.3637 116.1388 48.2830 0.0000 173.0455 96 N 4.9911 7.8034 116.0581 52.0674 40.5274 172.4853 97 A 5.2379 8.4999 119.5980 50.9783 23.3175 175.2717 98 T 5.2500 8.9845 108.9009 60.1574 72.9305 173.3190 99 V 4.9654 8.9934 122.2615 60.2747 35.4073 173.4292 100 Q 5.0041 9.1080 125.6260 54.2442 31.6457 174.3107 101 V 4.3648 8.6475 127.1351 62.4527 33.3559 174.6587 102 I 4.7999 9.2111 129.0681 60.7244 39.3390 175.1321 103 G 3.9318 7.7879 113.9484 46.9417 0.0000 171.2716 104 N 4.7348 8.7332 116.0635 54.7666 39.3057 176.4025 105 R 4.5670 7.4065 114.4705 53.4500 33.9591 173.2643 106 P 4.4144 0.0000 0.0000 61.7400 32.3082 175.9083 107 K 4.0856 8.2107 118.8735 56.2474 32.5452 177.7390 108 V 3.8534 8.4771 124.2701 65.2834 32.4983 177.8885 109 G 3.9663 8.4632 108.8903 48.3265 0.0000 173.6760 110 P 4.3621 0.0000 0.0000 64.2387 31.6484 177.4391 111 R 4.6181 8.1139 116.3462 55.7217 30.9775 177.6882 112 R 3.9390 8.0392 120.9995 59.6746 29.9655 178.5056 113 E 3.9855 8.1103 117.9498 59.1993 29.4853 178.6174 114 E 3.8800 8.1932 118.6972 59.2556 29.7068 178.4814 115 A 3.9831 8.1421 120.7214 55.4084 18.3676 179.4930 116 Q 3.9869 8.1168 116.4189 59.2621 28.9009 179.4021 117 Q 3.9486 8.1389 118.8647 58.9146 28.9395 178.7839 118 V 3.5928 7.9122 119.3317 66.1916 31.5674 178.1269 119 L 4.0678 8.3875 119.0457 57.8117 41.4071 179.5890 120 S 4.7204 8.6704 117.0940 61.0447 62.5131 176.5870 121 E 4.0512 7.9454 119.1325 59.1654 29.4594 178.9672 122 L 4.1257 7.6044 118.8866 57.7461 41.8195 179.2673 123 V 3.8585 7.8714 116.9418 63.5328 31.4794 176.8852 124 G 3.8690 9.4365 105.4872 45.4577 0.0000 172.3932 125 A 4.7116 7.3630 119.2078 49.3751 23.4317 174.5904 126 P 4.5461 0.0000 0.0000 62.8954 32.4502 175.6482 127 V 4.8597 8.4503 125.2718 61.2404 33.2848 175.0913 128 S 4.7951 8.9012 124.5741 57.7337 64.5511 173.3046 129 V 4.9867 8.6640 123.9442 61.2370 33.7737 174.6092 130 S 4.8705 9.0801 120.8636 57.4290 67.1394 172.1395 131 A 5.1177 8.2724 119.5404 51.4140 21.9646 175.4719 132 T 4.7094 8.8067 113.6089 61.0225 71.4638 173.4158 133 T 4.6753 8.4116 117.4208 60.5700 71.3698 174.2232 134 T 4.4126 8.1431 108.0751 60.8335 69.0790 173.7794 135 D 4.4238 8.7350 119.0289 55.9354 39.8819 174.6176 136 G 3.9673 8.5115 105.2181 45.0010 0.0000 173.6842 137 L 4.3998 7.8260 120.3403 54.1013 43.3981 178.1724 138 G 4.1815 8.5059 111.5657 44.3438 0.0000 173.8996 139 L 4.2085 8.5144 116.9784 58.1728 40.9177 179.4607 140 T 4.2354 7.4076 109.0192 63.5110 69.3827 177.0363 141 G 3.5699 7.8174 110.4629 48.3252 0.0000 174.8580 142 R 3.9692 8.1158 117.2808 56.6029 30.0447 177.0602 143 G 3.9134 7.7171 105.7679 46.6184 0.0000 174.9815 144 E 4.1764 8.4121 122.2720 58.1769 29.7828 176.5393 145 G 4.3219 7.5972 103.6994 45.1762 0.0000 171.5796 146 L 5.1239 8.7900 119.0570 52.7266 45.0514 175.9756 147 A 5.3286 8.7213 122.5070 50.4285 23.1167 174.7919 148 A 5.0988 8.7355 119.5635 50.6543 23.3707 175.4800 149 I 5.0649 8.7575 120.0511 59.4794 41.1914 174.6016 150 A 5.2489 9.5092 127.4348 50.4828 22.7132 174.9285 151 T 5.1608 8.6341 115.5250 61.9100 72.6361 173.1259 152 A 5.0652 8.7063 123.9530 50.4437 23.5601 174.9421 153 L 5.0737 8.8979 121.6001 53.4693 45.1264 175.9765 154 V 5.0566 8.7727 118.4280 59.6002 36.1305 174.3528 155 A 5.1208 9.0808 122.2855 50.2726 22.6329 175.7399 156 A 4.1812 8.8606 123.7259 51.3120 19.4380 177.5751 157 E 4.0298 8.3494 120.1565 56.8997 29.5215 177.1946 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 3 L 8.17 4.33 0.00 1.67 1.69 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.50 0.00 2.17 2.08 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 5 R 9.27 4.82 0.00 1.63 1.82 0.00 3.22 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 6 V 8.36 4.72 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 0.78 0.00 0.00 0.94 0.00 0.00 7 G 8.86 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.48 5.31 0.00 1.63 1.46 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.22 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.36 5.33 4.22 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 1.20 0.00 0.00 11 D 8.57 4.73 0.00 2.82 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 12 V 8.08 4.88 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 0.89 0.00 0.00 0.89 0.00 0.00 13 H 8.98 5.13 0.00 3.07 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.88 0.00 2.08 1.97 0.00 3.65 0.00 0.00 3.82 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 15 I 8.25 4.17 1.86 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 1.09 0.45 0.94 0.00 0.00 16 E 9.22 4.56 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 17 A 8.58 4.30 1.25 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 0.00 0.00 0.00 18 G 10.40 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 19 R 7.77 4.20 0.00 1.93 1.88 0.00 3.11 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 20 P 0.00 4.47 0.00 2.12 1.98 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 21 C 8.85 4.61 0.00 3.01 3.15 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 0.00 0.00 0.00 0.00 22 R 8.31 4.97 0.00 1.88 1.87 0.00 3.36 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00 23 L 8.95 4.67 0.00 1.73 1.66 0.61 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.58 3.82 0.00 2.00 1.81 1.03 0.98 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 25 C 8.82 3.96 0.00 3.12 3.02 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 0.00 0.00 0.00 26 L 7.83 4.69 0.00 1.58 1.17 0.71 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.33 5.20 0.00 1.92 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 2.18 2.32 0.00 28 F 8.97 4.75 0.00 2.90 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 29 D 8.78 4.49 0.00 2.64 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 30 D 8.89 4.44 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 31 A 7.39 4.67 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 32 D 8.53 5.10 0.00 2.53 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 33 G 8.66 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 34 C 8.39 5.35 0.00 3.10 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 35 A 8.46 4.04 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 *38 S 8.61 4.36 0.00 3.79 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.85 4.50 0.00 2.80 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 40 G 7.51 3.74 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 0.00 0.00 0.00 41 D 8.20 4.80 0.00 2.85 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 42 V 8.44 4.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.04 0.00 0.00 43 A 8.01 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 44 A 8.30 3.96 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 45 H 8.19 4.08 0.00 3.46 3.35 0.00 5.65 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 46 A 8.06 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.08 3.91 0.00 1.94 1.73 0.93 0.87 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 48 C 8.22 4.10 0.00 3.15 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 49 D 8.18 4.33 0.00 2.94 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 50 A 8.26 4.07 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 51 L 7.99 3.90 0.00 1.84 1.69 0.92 0.44 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 52 L 8.26 3.96 0.00 1.67 1.81 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.22 4.07 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.04 4.08 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 55 A 7.35 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.49 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 57 L 8.41 4.48 0.00 1.54 1.65 0.92 0.98 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 58 G 8.86 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 0.00 0.00 0.00 59 D 8.51 4.85 0.00 3.01 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 60 L 8.65 4.19 0.00 1.77 1.84 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.16 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.60 3.87 4.34 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 1.22 0.00 0.00 63 I 7.20 3.97 1.54 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.82 0.00 0.00 64 F 8.51 4.37 0.00 2.91 2.83 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 65 G 8.30 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.90 4.59 4.28 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 1.24 0.00 0.00 67 D 9.01 4.66 0.00 2.86 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 68 R 7.53 4.20 0.00 2.28 2.19 0.00 3.55 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 69 P 0.00 4.33 0.00 2.17 2.30 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 70 Q 7.86 3.90 0.00 1.57 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 1.38 1.77 0.00 71 W 7.90 4.87 0.00 3.55 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 72 R 7.46 4.07 0.00 1.84 1.97 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 73 G 9.04 3.95 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 0.00 0.00 0.00 74 A 7.68 4.29 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 75 S 9.13 4.73 0.00 4.17 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 76 G 8.70 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.01 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 78 D 7.90 4.42 0.00 2.92 2.92 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 79 M 7.97 3.89 0.00 1.60 1.98 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.96 0.00 80 I 7.93 3.74 1.89 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 1.54 0.71 0.93 0.00 0.00 81 R 8.11 4.01 0.00 2.10 2.06 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 82 H 8.35 4.30 0.00 3.55 3.62 0.00 5.79 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 83 V 8.29 3.51 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 0.98 0.00 0.00 1.06 0.00 0.00 84 R 8.62 4.01 0.00 1.89 2.19 0.00 3.38 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 85 G 8.05 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 0.00 0.00 0.00 86 L 7.92 3.98 0.00 1.79 1.68 0.69 0.67 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 87 V 7.89 3.64 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 1.06 0.00 0.00 0.96 0.00 0.00 88 E 8.23 4.37 0.00 2.09 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 2.37 2.38 0.00 89 N 8.30 4.49 0.00 2.77 2.89 0.00 0.00 7.04 6.86 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 90 A 7.86 4.34 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 3.69 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 0.00 0.00 0.00 92 F 7.91 5.31 0.00 3.11 2.92 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 93 V 8.81 4.33 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 1.07 0.00 0.00 0.95 0.00 0.00 94 I 8.36 4.38 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 1.29 0.74 0.91 0.00 0.00 95 G 9.36 3.91 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 0.00 0.00 0.00 96 N 7.80 4.99 0.00 2.91 2.89 0.00 0.00 5.80 7.00 0.00 0.00 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 8.50 5.24 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 98 T 8.98 5.25 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 99 V 8.99 4.97 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 0.66 0.00 0.00 0.93 0.00 0.00 100 Q 9.11 5.00 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 101 V 8.65 4.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 102 I 9.21 4.80 1.85 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 1.14 0.67 0.89 0.00 0.00 103 G 7.79 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 0.00 104 N 8.73 4.73 0.00 2.69 2.85 0.00 0.00 6.59 7.66 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 0.00 105 R 7.41 4.57 0.00 1.68 1.71 0.00 3.34 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 106 P 0.00 4.41 0.00 1.66 1.84 0.00 3.48 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.12 0.00 107 K 8.21 4.09 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.36 7.81 108 V 8.48 3.85 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 1.04 0.00 0.00 0.79 0.00 0.00 109 G 8.46 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.36 0.00 2.11 2.16 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 111 R 8.11 4.62 0.00 1.90 1.77 0.00 2.96 0.00 0.00 2.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 112 R 8.04 3.94 0.00 2.13 2.00 0.00 3.30 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 1.65 1.70 0.00 113 E 8.11 3.99 0.00 2.05 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 2.40 2.37 0.00 114 E 8.19 3.88 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 115 A 8.14 3.98 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 0.00 116 Q 8.12 3.99 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 117 Q 8.14 3.95 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 118 V 7.91 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 119 L 8.39 4.07 0.00 1.76 1.71 0.97 0.84 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 0.00 120 S 8.67 4.72 0.00 3.86 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.95 4.05 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 2.31 2.54 0.00 122 L 7.60 4.13 0.00 1.85 1.79 0.93 0.75 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 0.00 123 V 7.87 3.86 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 124 G 9.44 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 0.00 125 A 7.36 4.71 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 0.00 126 P 0.00 4.55 0.00 2.09 2.01 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 127 V 8.45 4.86 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 0.78 0.00 0.00 1.02 0.00 0.00 128 S 8.90 4.80 0.00 3.82 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 0.00 129 V 8.66 4.99 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 0.83 0.00 0.00 0.95 0.00 0.00 130 S 9.08 4.87 0.00 3.87 3.91 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 0.00 131 A 8.27 5.12 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 0.00 132 T 8.81 4.71 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 1.24 0.00 0.00 133 T 8.41 4.68 4.22 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 1.24 0.00 0.00 134 T 8.14 4.41 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 0.00 135 D 8.73 4.42 0.00 2.75 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 0.00 136 G 8.51 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.83 4.40 0.00 1.80 1.57 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.51 4.21 0.00 1.97 1.93 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.41 4.24 4.22 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 1.23 0.00 0.00 141 G 7.82 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.97 0.00 1.87 1.99 0.00 3.51 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 143 G 7.72 3.91 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 0.00 0.00 0.00 144 E 8.41 4.18 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 2.30 2.24 0.00 145 G 7.60 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 0.00 0.00 0.00 146 L 8.79 5.12 0.00 1.60 1.50 0.90 0.58 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 0.00 147 A 8.72 5.33 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 0.00 148 A 8.74 5.10 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 0.00 149 I 8.76 5.06 1.86 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 1.15 0.81 0.95 0.00 0.00 150 A 9.51 5.25 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 0.00 151 T 8.63 5.16 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 1.25 0.00 0.00 152 A 8.71 5.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.90 5.07 0.00 1.65 1.58 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 154 V 8.77 5.06 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 0.63 0.00 0.00 0.57 0.00 0.00 155 A 9.08 5.12 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 0.00 156 A 8.86 4.18 1.05 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 0.00 0.00 157 E 8.35 4.03 0.00 1.89 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 2.44 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.