NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3865 8.5445 116.7605 56.0569 31.3689 176.8761 3 R 4.6167 8.2828 125.7655 54.0600 29.4174 172.2541 4 Y 4.3227 8.1234 121.9038 59.8796 40.5608 176.6189 5 R 4.0253 8.1791 119.0053 59.4853 30.2228 177.1721 6 R 3.9121 7.6730 118.4662 58.9828 30.5321 178.5733 7 G 4.3809 7.5969 105.2992 46.1688 0.0000 175.3967 *9 E 4.2733 8.1976 117.0597 55.2836 32.4865 180.0862 10 I 4.0854 7.3005 118.1599 64.1945 37.8221 178.3416 11 L 3.7603 7.5605 119.1494 57.8173 41.3146 178.5563 12 N 4.4341 7.9827 113.8004 55.1095 38.5233 175.6639 13 R 4.3935 7.1888 113.1918 55.9888 30.3170 176.2268 *15 N 4.4585 8.0255 116.3616 55.0968 40.0358 175.8757 16 R 3.9623 7.7193 124.6047 61.6497 30.1862 179.9678 17 K 4.1527 8.0583 119.1957 59.5382 32.0037 179.2297 18 S 4.0605 7.9845 114.8418 61.8340 62.9483 175.9032 19 Y 4.1070 7.8701 122.0463 60.8974 38.2150 178.6765 20 T 3.8662 7.7180 115.9536 66.5188 68.7974 176.2697 21 A 4.0876 7.9380 122.6132 54.7183 17.9206 179.4382 22 I 3.4899 7.8902 118.0191 64.2270 38.0136 177.9193 23 R 3.9868 7.5106 117.2437 57.6903 29.6500 177.0053 24 D 4.8376 7.7701 118.9550 54.4595 40.2654 176.7434 25 E 4.5386 7.7853 118.0607 55.8459 32.7525 174.9042 26 L 4.5330 8.0596 122.8321 53.4997 40.7177 174.8074 27 E 4.7955 7.7428 118.6861 57.9335 36.2822 176.8987 28 D 4.8967 8.0306 113.4610 51.9204 42.9236 177.2174 29 V 3.9708 8.0361 115.7028 63.4086 33.0433 176.4015 30 A 4.5844 5.8000 121.5518 49.4452 19.7629 175.7294 31 P 4.4941 0.0000 0.0000 64.3273 31.9165 177.5347 32 D 4.0312 7.8773 118.0830 56.7629 40.6171 178.1684 33 L 3.9453 7.4382 119.6074 58.2519 42.0016 178.7135 34 A 4.0348 7.9816 118.8189 55.2067 18.0773 179.1224 35 R 4.2023 8.0442 117.0903 59.9203 30.2080 178.6543 36 F 4.8041 8.3428 118.1538 60.6730 38.6326 177.8636 37 V 4.3634 8.0779 115.4011 62.1904 31.5627 176.6141 38 A 4.4747 8.9053 122.5255 53.7515 22.3375 178.5840 39 E 4.4928 8.2087 111.2094 56.8749 29.7789 176.6606 40 F 4.6990 8.2541 120.4502 59.3000 41.8147 176.6928 41 A 3.6181 8.2328 123.0135 54.9320 18.7986 178.3536 42 Y 4.3053 8.1279 111.2748 58.1930 38.9061 177.3234 43 G 4.0425 8.0720 107.0201 45.2241 0.0000 173.3550 44 D 4.6732 7.7775 116.0488 53.2926 43.6395 175.1952 45 V 4.0787 7.1645 116.7097 64.8030 33.1904 177.2721 46 Y 3.7290 7.7611 116.5856 60.7649 38.0499 177.6747 47 S 4.2703 7.7339 113.6995 61.3214 62.7777 175.3995 48 R 4.1329 7.1933 115.4696 56.4598 29.6349 176.6055 49 G 4.0424 7.7874 99.1078 45.7152 0.0000 173.1013 50 V 4.1822 8.0776 122.4579 62.6587 32.7715 175.6090 51 L 4.6903 7.4314 120.1043 53.1755 45.4842 177.0576 52 D 4.5806 8.4538 124.3169 55.2530 41.9066 176.0151 53 L 4.1943 8.3248 119.6830 59.1318 41.9280 179.2738 54 K 4.0553 7.9826 117.2833 59.6001 32.1990 179.1073 55 T 3.9833 7.7640 115.5104 66.7902 68.6287 176.5441 56 R 3.7567 7.8102 119.8551 59.7077 29.8347 178.9980 57 E 4.2099 8.2308 117.4305 58.9904 29.3890 179.4260 58 L 4.0823 8.1508 119.7527 57.6483 41.8863 179.1921 59 L 4.0184 7.8709 118.3536 58.0815 41.4920 179.6462 60 T 3.8713 7.9002 115.7261 66.4025 68.3360 176.6977 61 L 3.9656 7.5903 120.6046 57.7503 41.1368 179.3727 62 A 3.9689 8.0803 120.3790 55.0897 18.4246 179.6106 63 A 3.9343 7.9291 119.1225 55.4068 18.6611 179.9280 64 L 4.0758 8.3690 117.3627 57.5778 41.4362 179.9327 65 T 3.9299 7.8963 116.5105 66.3550 68.2250 176.9846 66 V 3.6077 7.2285 118.2016 66.1122 31.7137 177.9767 67 L 4.0764 7.6935 116.6554 55.4177 41.5831 177.2570 68 R 3.8166 7.4950 116.3588 57.6561 28.1212 177.9801 69 A 4.4159 7.6818 120.3519 50.8338 16.2748 176.9258 70 D 4.1967 8.1847 121.3643 57.7992 41.3501 178.1845 71 D 4.3690 8.0220 117.9268 57.9484 41.2611 179.2020 72 Q 4.0407 8.0471 117.7208 58.7253 28.5492 178.3187 73 L 3.9087 8.3189 120.6024 58.0777 42.5792 178.3155 74 K 3.9085 8.4547 119.8349 59.9892 31.7933 178.2663 75 S 4.1173 8.0476 112.8938 61.9128 62.2409 175.7910 76 H 4.2834 8.2475 118.2247 58.0038 28.3662 177.9408 77 V 3.6195 7.5741 120.3371 65.9545 31.2751 178.1399 78 R 4.0499 8.0683 117.4398 59.2457 29.9966 178.7718 79 G 4.0419 8.0547 106.4192 47.1719 0.0000 175.4529 80 A 4.0479 8.2381 123.1519 54.9508 18.3671 179.2428 81 L 4.1785 8.0917 118.9123 57.6516 41.5383 179.3024 82 N 4.2380 8.4564 115.6645 56.8005 38.6821 177.0891 83 A 4.2516 7.8267 120.9950 54.3129 18.4088 177.0461 84 G 3.5924 7.2307 106.3541 45.6866 0.0000 173.3145 85 C 4.8047 8.1890 118.3343 57.9399 30.2499 173.8787 86 S 4.5478 7.9060 118.0059 57.2088 65.6125 175.6706 87 K 4.2585 8.3725 123.1625 59.7540 31.7307 180.0856 88 D 4.4040 7.8107 122.0976 58.3721 39.6037 183.0957 89 E 4.1585 8.0877 119.8308 59.4746 29.4762 179.1501 90 I 3.7241 7.4216 117.8228 64.4410 37.1994 177.6883 91 I 4.1738 7.4466 118.9457 63.2071 37.8958 177.6780 92 E 4.1749 8.0816 119.4591 58.6137 29.0535 177.8243 93 V 4.2914 7.2616 118.8405 62.4261 32.8251 177.4910 *95 I 4.0739 7.7319 121.4105 62.6050 38.7641 178.4516 96 Q 4.0931 7.6178 122.6743 55.4361 27.7669 177.5177 *98 A 4.8580 7.9324 120.5458 52.1034 20.7893 179.9139 99 V 3.3762 7.2618 114.2488 65.6051 31.6223 176.4609 100 Y 4.5103 7.5448 114.7853 58.6847 38.9705 176.2082 101 A 4.3879 7.8672 120.3498 51.5261 20.4676 176.2857 102 G 4.0902 7.9832 101.3297 45.4549 0.0000 174.9944 103 F 3.7668 9.1248 116.7757 60.1317 38.8537 176.2053 104 P 4.3899 0.0000 0.0000 65.6015 31.0873 178.4707 105 A 3.9592 8.0138 118.8263 54.9709 18.3703 179.4131 106 A 3.7944 7.7248 118.6694 55.3377 18.6084 179.3786 107 I 3.6089 8.1074 118.7468 64.7285 37.2540 178.0444 108 N 4.2310 8.3642 117.2416 56.7625 38.8669 176.5584 109 A 3.9700 7.8726 122.1025 55.1614 18.3717 179.8435 110 V 3.4330 7.7812 116.4811 66.2935 31.7883 178.1576 111 L 3.9710 7.9274 118.4591 57.7861 41.4406 179.6920 112 A 3.9995 7.9491 120.3714 55.1570 18.4853 179.5969 113 A 3.7971 7.9267 118.7303 54.2214 18.2360 179.6835 114 K 3.7788 7.8510 118.8680 59.6039 32.3530 178.3144 115 E 3.8712 7.6184 117.3385 59.7806 29.2575 179.6300 116 V 3.5783 7.0364 115.1578 66.2349 31.5933 177.6861 117 F 4.7280 7.7258 115.7757 61.3167 38.7455 177.5200 118 T 4.1125 8.5488 115.5136 66.3226 68.4462 175.4760 119 E 4.7888 8.1256 120.1804 56.6085 29.6224 177.0149 120 N 4.7813 7.8167 113.7512 52.3286 39.6261 175.1931 121 D 4.1959 7.3077 123.7505 55.2173 42.9399 175.9299 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 E 8.54 4.39 0.00 2.01 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 2.13 1.88 0.00 3 R 8.28 4.62 0.00 1.79 1.88 0.00 3.21 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 0.00 4 Y 8.12 4.32 0.00 3.11 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 5 R 8.18 4.03 0.00 1.92 2.00 0.00 3.47 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 6 R 7.67 3.91 0.00 1.89 1.99 0.00 3.35 0.00 0.00 3.18 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 7 G 7.60 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 0.00 0.00 0.00 0.00 *9 E 8.20 4.27 0.00 2.03 1.92 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 2.13 1.91 0.00 10 I 7.30 4.09 1.99 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 1.31 0.82 0.97 0.00 0.00 11 L 7.56 3.76 0.00 1.15 1.34 0.33 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.98 4.43 0.00 2.62 2.84 0.00 0.00 6.72 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 13 R 7.19 4.39 0.00 1.95 1.95 0.00 3.09 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 *15 N 8.03 4.46 0.00 2.77 2.73 0.00 0.00 7.21 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 16 R 7.72 3.96 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 17 K 8.06 4.15 0.00 1.79 1.89 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.54 7.81 18 S 7.98 4.06 0.00 4.08 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 19 Y 7.87 4.11 0.00 2.87 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 20 T 7.72 3.87 4.48 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 1.20 0.00 0.00 21 A 7.94 4.09 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 22 I 7.89 3.49 1.76 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 1.39 1.26 -0.01 0.00 0.00 23 R 7.51 3.99 0.00 1.91 1.85 0.00 3.17 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 24 D 7.77 4.84 0.00 2.78 2.64 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 25 E 7.79 4.54 0.00 1.87 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 2.17 2.35 0.00 26 L 8.06 4.53 0.00 1.50 1.75 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.74 4.80 0.00 2.04 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 2.15 2.28 0.00 28 D 8.03 4.90 0.00 2.66 2.53 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 29 V 8.04 3.97 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 0.97 0.00 0.00 0.92 0.00 0.00 30 A 5.80 4.58 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 31 P 0.00 4.49 0.00 2.11 2.04 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 32 D 7.88 4.03 0.00 2.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.44 3.95 0.00 1.88 1.81 1.08 0.94 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 34 A 7.98 4.03 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 35 R 8.04 4.20 0.00 1.98 1.78 0.00 3.37 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.93 0.00 36 F 8.34 4.80 0.00 3.32 3.11 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 37 V 8.08 4.36 2.31 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 1.18 0.00 0.00 1.23 0.00 0.00 38 A 8.91 4.47 1.04 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 0.00 0.00 39 E 8.21 4.49 0.00 2.30 2.34 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 2.77 2.59 0.00 40 F 8.25 4.70 0.00 3.13 3.29 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 41 A 8.23 3.62 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 42 Y 8.13 4.31 0.00 2.81 2.80 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 43 G 8.07 4.04 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 0.00 0.00 0.00 44 D 7.78 4.67 0.00 2.78 2.44 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 45 V 7.16 4.08 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 0.79 0.00 0.00 0.42 0.00 0.00 46 Y 7.76 3.73 0.00 2.86 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 47 S 7.73 4.27 0.00 4.11 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 48 R 7.19 4.13 0.00 2.00 2.00 0.00 3.02 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.46 0.00 49 G 7.79 4.04 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 0.00 0.00 0.00 50 V 8.08 4.18 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 0.82 0.00 0.00 0.90 0.00 0.00 51 L 7.43 4.69 0.00 1.49 1.41 0.81 0.95 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 52 D 8.45 4.58 0.00 2.68 2.56 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 53 L 8.32 4.19 0.00 1.79 1.72 1.11 0.39 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 54 K 7.98 4.06 0.00 1.77 1.88 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 55 T 7.76 3.98 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 1.17 0.00 0.00 56 R 7.81 3.76 0.00 1.74 1.40 0.00 2.58 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.59 0.00 57 E 8.23 4.21 0.00 2.24 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 0.00 2.65 2.62 0.00 58 L 8.15 4.08 0.00 1.90 1.71 0.93 0.68 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 59 L 7.87 4.02 0.00 1.77 1.67 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.90 3.87 4.42 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 0.93 0.00 0.00 61 L 7.59 3.97 0.00 1.91 1.72 0.95 0.85 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 62 A 8.08 3.97 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 63 A 7.93 3.93 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 64 L 8.37 4.08 0.00 1.64 1.73 0.87 0.70 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 65 T 7.90 3.93 4.39 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 1.23 0.00 0.00 66 V 7.23 3.61 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 0.85 0.00 0.00 1.01 0.00 0.00 67 L 7.69 4.08 0.00 1.70 1.73 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.50 3.82 0.00 1.92 2.05 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 69 A 7.68 4.42 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 70 D 8.18 4.20 0.00 2.73 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 71 D 8.02 4.37 0.00 2.77 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 72 Q 8.05 4.04 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 73 L 8.32 3.91 0.00 1.66 1.93 0.91 0.71 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 74 K 8.45 3.91 0.00 2.03 1.95 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.50 7.81 75 S 8.05 4.12 0.00 3.96 4.04 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 76 H 8.25 4.28 0.00 3.43 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.57 3.62 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 1.05 0.00 0.00 0.87 0.00 0.00 78 R 8.07 4.05 0.00 1.91 1.99 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 79 G 8.05 4.04 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 0.00 0.00 0.00 80 A 8.24 4.05 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 81 L 8.09 4.18 0.00 1.93 1.78 1.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.46 4.24 0.00 2.82 2.93 0.00 0.00 7.14 7.34 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 83 A 7.83 4.25 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 84 G 7.23 3.59 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 0.00 0.00 0.00 85 C 8.19 4.80 0.00 3.18 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 86 S 7.91 4.55 0.00 3.84 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 87 K 8.37 4.26 0.00 1.55 1.41 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.34 1.05 7.81 88 D 7.81 4.40 0.00 2.63 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 89 E 8.09 4.16 0.00 2.04 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 0.00 2.41 2.41 0.00 90 I 7.42 3.72 2.27 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 1.89 0.92 0.95 0.00 0.00 91 I 7.45 4.17 2.01 0.00 0.00 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 1.61 0.73 0.95 0.00 0.00 92 E 8.08 4.17 0.00 2.16 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 2.63 2.47 0.00 93 V 7.26 4.29 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 0.94 0.00 0.00 *95 I 7.73 4.07 1.99 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 1.24 0.70 0.84 0.00 0.00 96 Q 7.62 4.09 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 *98 A 7.93 4.86 0.64 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 99 V 7.26 3.38 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 -0.14 0.00 0.00 0.73 0.00 0.00 100 Y 7.54 4.51 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.39 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 0.00 102 G 7.98 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 0.00 0.00 0.00 103 F 9.12 3.77 0.00 3.12 3.16 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 0.00 104 P 0.00 4.39 0.00 2.19 2.15 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 105 A 8.01 3.96 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 0.00 106 A 7.72 3.79 1.18 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 0.00 107 I 8.11 3.61 2.04 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 1.70 1.05 0.94 0.00 0.00 108 N 8.36 4.23 0.00 2.89 2.94 0.00 0.00 7.17 8.16 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 0.00 109 A 7.87 3.97 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 0.00 110 V 7.78 3.43 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 1.02 0.00 0.00 0.96 0.00 0.00 111 L 7.93 3.97 0.00 1.98 1.71 0.93 0.83 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 0.00 112 A 7.95 4.00 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 0.00 113 A 7.93 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.85 3.78 0.00 1.96 1.97 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.56 7.81 115 E 7.62 3.87 0.00 2.23 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 2.34 2.34 0.00 116 V 7.04 3.58 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 0.86 0.00 0.00 0.96 0.00 0.00 117 F 7.73 4.73 0.00 3.19 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.55 4.11 4.42 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 1.24 0.00 0.00 119 E 8.13 4.79 0.00 1.99 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 2.36 2.50 0.00 120 N 7.82 4.78 0.00 2.70 2.85 0.00 0.00 7.00 8.06 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 0.00 121 D 7.31 4.20 0.00 2.48 2.53 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 * Residues marked with a * may have inaccurate shift predictions.