NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1843 8.1849 120.6526 54.4411 44.1574 177.1257 *4 K 4.1966 7.5864 117.4883 55.8396 34.4132 176.7245 5 V 3.9443 8.4589 114.6788 64.8374 31.4036 178.7990 6 A 4.2977 7.9524 121.1497 54.7822 18.3436 179.3878 7 E 3.9413 8.1702 116.5775 59.4238 29.5645 179.3274 8 F 4.3418 8.3354 117.8091 60.7816 39.1928 177.3746 9 E 4.1454 8.8077 118.4521 59.5880 29.3483 179.3985 10 R 4.0775 8.4051 118.7532 59.6640 30.1555 178.5117 11 L 4.1217 8.1511 118.6036 57.9190 41.6067 179.5628 12 F 4.1225 8.4311 117.8061 60.4351 38.7366 177.7870 13 R 4.1762 8.2246 118.4505 59.5525 29.7481 178.6294 14 Q 4.0044 8.5570 116.8493 58.9537 28.8281 178.2119 15 A 4.2758 8.4929 120.8793 54.4944 18.5120 178.3100 16 A 4.5173 7.4102 114.8212 51.3535 20.8436 175.8927 17 G 4.0635 8.4996 104.2958 46.9600 0.0000 174.0248 18 L 4.5230 7.9044 118.4323 53.8932 42.8038 176.7621 19 D 4.8990 9.2927 123.8655 52.3548 41.3826 175.4257 20 V 3.6615 7.8388 123.6948 60.7881 32.7898 175.5545 21 D 4.4303 8.4219 122.6450 53.6570 41.4655 177.1200 22 K 3.8987 8.8037 126.1791 59.7525 32.2059 178.3657 23 N 4.4895 8.6909 114.7264 54.9409 38.8519 176.1521 24 D 4.4688 8.1797 118.5947 55.7593 41.1092 178.3335 25 L 3.5597 7.3034 119.2524 57.3893 41.5117 179.3766 26 K 3.8136 7.7555 119.1688 59.4225 32.2024 178.7264 27 R 3.8382 7.7033 118.5167 59.2188 30.0268 178.4031 28 V 3.3047 7.4670 118.1034 65.8348 31.4429 177.7330 29 S 4.1627 8.0041 113.1170 61.8203 62.2817 175.9563 30 D 4.4175 7.9069 120.8523 57.1648 40.4999 178.7559 31 F 4.1772 8.2257 121.1544 61.4970 39.4526 177.4102 32 L 3.8978 8.1791 118.7320 57.4827 41.2627 179.5352 33 R 3.8822 8.4106 119.3853 59.4404 29.9414 178.3168 34 N 4.3226 8.0930 116.2598 56.2845 38.6368 177.5505 35 K 3.8725 7.7941 119.8508 59.2856 32.2238 179.1689 36 L 3.9426 8.2256 120.9708 58.2648 41.9352 178.3975 37 Y 4.0393 8.2895 119.6546 60.8786 38.7618 177.8025 38 D 4.3179 8.5221 119.9057 57.0786 40.8143 178.8230 39 L 3.9395 7.6854 119.5970 57.7658 41.6068 179.4772 40 L 3.9013 7.6748 118.4222 57.4377 41.3324 179.4396 41 A 3.7267 7.8529 121.3473 55.0348 18.2469 179.9044 42 V 3.4986 7.7145 116.5923 65.8518 31.4729 178.1116 43 A 4.6469 7.9349 122.0679 54.6026 18.2143 179.1324 44 E 3.8138 8.2369 117.8690 59.4739 29.6984 179.0784 45 R 3.9149 7.7724 118.5340 59.5355 30.1287 178.3004 46 N 4.4233 8.4626 116.2508 56.0751 38.4255 177.3005 47 A 4.0792 8.4026 122.6640 55.2241 18.5292 179.9062 48 K 3.9578 8.1146 117.0336 59.6657 31.8686 178.9740 49 Y 4.1046 7.9880 119.1329 60.4049 38.7601 176.9372 50 N 4.6912 8.1802 114.7828 52.2742 38.9653 175.0196 51 G 3.8490 7.9911 108.1290 47.0356 0.0000 174.1843 52 R 4.7347 8.1840 117.1861 54.4317 32.8573 175.9796 53 D 4.8545 8.5499 118.5407 53.9568 41.2227 175.9900 54 L 4.6490 7.3404 119.7769 53.7298 45.4664 174.7245 55 I 4.3452 8.1538 126.0147 60.4779 38.7714 175.1686 56 F 5.0268 9.3633 125.2597 55.1892 42.4783 176.2021 57 E 3.9542 9.1544 120.2421 59.1797 29.3841 177.2610 58 P 4.3859 0.0000 0.0000 65.2285 31.7819 177.3092 59 D 4.4984 8.2629 118.4434 56.6783 40.9862 176.5713 60 L 4.4295 7.6892 120.1005 53.8802 42.0422 176.3773 61 P 4.4284 0.0000 0.0000 61.6899 29.6379 173.6790 62 I 4.1385 7.5218 123.9830 60.2182 38.0247 176.3000 63 A 4.2485 8.1552 127.5403 51.0248 20.4679 177.2472 64 K 3.8365 8.7341 122.0211 59.8969 32.0536 179.1777 65 G 3.6109 8.0154 105.0599 47.8956 0.0000 175.2869 66 L 4.0131 7.8423 122.5878 57.5943 42.2392 178.6315 67 Q 3.9513 8.0282 119.8767 59.1282 29.0280 177.8520 68 E 4.0046 8.3160 120.3949 59.5246 29.6488 178.9203 69 T 4.0111 7.9740 115.9460 66.1886 68.4983 176.5681 70 L 4.0887 8.0717 122.7321 58.2934 42.1176 179.0686 71 Q 4.0855 8.0638 117.7517 58.7974 28.3835 178.3574 72 E 3.9973 8.0492 119.1299 59.3711 29.5569 178.8422 73 F 4.3996 8.0123 119.7778 61.4351 39.5784 177.2619 74 R 3.5583 7.6829 116.3623 58.1125 31.0790 178.3021 75 R 4.1729 7.3203 119.9190 54.4295 28.2791 177.6926 *77 D 4.3291 7.4039 119.4429 54.7127 42.4906 177.1439 78 T 4.5191 6.9428 117.3295 60.7522 69.4954 174.0439 79 A 3.9580 7.9020 123.1951 52.8475 19.1926 177.2284 80 L 4.7029 8.3588 122.8108 52.7305 43.6434 176.6731 81 E 4.1602 8.4751 122.1611 56.4019 30.4888 177.6536 82 L 4.0936 8.5577 123.0423 58.1433 42.3895 178.7677 83 K 3.7922 8.1259 119.1828 59.4184 31.9234 176.3279 84 P 4.2433 0.0000 0.0000 65.6388 31.2144 178.7917 85 V 3.5887 7.6696 116.4221 65.8954 31.4847 177.8905 86 L 3.9928 7.9052 118.7501 58.0662 41.2845 179.3174 87 D 4.3465 8.3813 117.7005 57.0830 40.8621 178.5402 88 A 4.1328 7.9782 121.4271 55.2870 18.5003 179.7960 89 L 4.0103 8.3732 117.6401 57.6317 41.4600 179.3243 90 A 4.1413 8.2168 119.7173 54.1457 18.3572 178.7766 91 A 4.0939 7.6578 118.0204 52.7701 18.7123 177.2823 92 L 4.3641 6.8099 116.8099 51.7177 43.7485 174.6061 93 P 4.2842 0.0000 0.0000 62.4341 31.6498 175.2037 94 P 4.5026 0.0000 0.0000 62.5239 31.9367 176.1474 95 L 4.4607 8.0831 120.3107 54.1034 42.6488 177.1909 96 D 4.5301 9.2386 120.5275 56.1072 41.0617 177.0274 97 L 4.8086 7.4672 117.2771 52.5810 45.1507 175.7966 98 E 4.3871 8.3512 120.3440 56.2148 31.2581 175.8218 99 V 4.6727 7.9361 113.6285 59.3335 34.2317 176.0347 100 A 3.9558 8.5501 125.0615 51.9815 19.3554 178.6913 101 E 3.9020 8.9978 119.3179 59.9137 29.3530 179.7857 102 D 4.4249 8.0739 117.0495 57.1948 41.1723 178.6585 103 V 3.7297 7.5907 118.4759 65.9019 31.7644 177.7382 104 R 3.8725 7.9806 118.4828 59.6796 29.7015 177.9204 105 N 4.6132 7.9429 113.8122 55.0601 38.8949 176.5678 106 L 4.2114 7.8121 122.0820 57.1728 42.2079 178.2904 107 L 3.9480 7.4855 118.0484 57.6316 41.6722 177.7512 108 P 4.2302 0.0000 0.0000 65.5845 31.1970 178.5695 109 E 4.1329 8.1278 117.0491 59.2741 29.4610 179.1676 110 L 3.9054 8.0987 119.1152 57.5317 41.6044 179.3000 111 A 4.0250 8.0921 120.9796 55.0103 18.2681 179.9191 112 G 2.3242 7.3283 103.7467 47.4321 0.0000 175.7630 113 A 3.9723 7.5611 123.6560 54.8019 18.2863 179.7471 114 L 4.0772 8.2749 117.9609 57.9551 41.6844 179.9083 115 V 3.5263 7.8187 118.3455 65.8783 31.4446 178.3149 116 V 3.5688 7.9740 117.9030 65.9303 31.3956 177.9531 117 A 4.1397 8.4235 120.8180 55.1785 18.1756 179.0194 118 Y 3.7946 8.7184 118.3030 60.7266 38.9982 177.9966 119 A 4.2757 8.4336 122.0962 55.5156 18.5415 179.9124 120 R 4.0131 8.1944 116.0845 58.8456 30.0278 179.5557 121 V 3.6384 7.7567 118.7335 65.9211 31.4269 177.9660 122 L 3.8720 7.7297 118.7922 57.6528 41.2486 179.4865 123 K 3.9812 7.9316 119.4135 59.4098 31.8785 178.8498 124 E 3.9990 7.8666 117.8396 59.0966 29.4809 178.7258 125 L 4.3494 7.6426 118.2007 56.6427 42.7475 177.6808 126 D 4.6432 7.7530 120.1099 51.2159 42.0322 173.7831 127 P 4.4479 0.0000 0.0000 64.5546 31.6180 177.7476 128 A 4.1934 7.8027 118.4501 53.2973 18.9491 177.3843 129 L 4.1785 7.6820 118.4172 55.1830 42.6789 176.8263 130 K 4.6823 8.4883 120.4482 55.8873 35.0113 175.4545 131 N 5.4173 8.0470 114.5208 48.5112 38.8435 171.7261 132 P 4.4325 0.0000 0.0000 63.1832 32.2956 176.5704 133 Q 4.7421 7.8230 118.3850 54.0423 32.3295 175.9894 134 T 3.8743 8.5480 114.2464 67.4213 68.1976 176.3561 135 E 3.9233 8.0812 118.7369 59.7076 29.4258 178.8662 136 H 4.2561 7.8157 116.6374 59.1231 29.0657 177.2997 137 H 4.3372 8.2129 119.3039 58.2579 28.3531 177.7878 138 E 3.9394 8.4344 120.8421 59.3395 29.2407 179.5335 139 R 3.9503 7.8208 118.1270 58.9511 30.0733 178.7888 140 A 3.8886 7.9060 120.6980 55.0159 18.1510 179.5501 141 E 3.4928 7.8926 116.7691 59.5727 29.2738 179.7379 142 R 3.9959 7.5084 116.3867 59.2342 30.5246 179.0400 143 V 3.8189 8.0621 117.9709 66.1131 31.6194 178.0190 144 F 4.2165 8.8283 117.7704 60.8841 38.6575 177.4163 145 N 5.0516 8.6863 116.2785 55.5010 38.3415 177.0687 146 L 4.2152 7.7785 119.5880 56.7133 41.7258 177.7022 147 L 4.5822 7.8748 116.3417 54.6313 44.6091 176.2625 148 L 4.2525 8.4389 123.2582 54.6977 41.8430 176.0454 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 L 8.18 4.18 0.00 1.74 1.75 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 *4 K 7.59 4.20 0.00 1.84 1.81 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.67 7.81 5 V 8.46 3.94 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 0.90 0.00 0.00 0.99 0.00 0.00 6 A 7.95 4.30 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 7 E 8.17 3.94 0.00 1.99 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 2.40 2.39 0.00 8 F 8.34 4.34 0.00 3.42 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.81 4.15 0.00 2.26 2.11 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 2.41 2.71 0.00 10 R 8.41 4.08 0.00 2.00 2.17 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 11 L 8.15 4.12 0.00 1.74 1.69 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.43 4.12 0.00 3.47 3.34 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 13 R 8.22 4.18 0.00 2.16 2.11 0.00 3.13 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 14 Q 8.56 4.00 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 15 A 8.49 4.28 1.35 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 0.00 0.00 0.00 16 A 7.41 4.52 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 17 G 8.50 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 18 L 7.90 4.52 0.00 1.78 1.67 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.29 4.90 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.84 3.66 0.81 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 0.39 0.00 0.00 0.46 0.00 0.00 21 D 8.42 4.43 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 3.90 0.00 1.82 1.84 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.47 7.81 23 N 8.69 4.49 0.00 2.72 2.82 0.00 0.00 7.01 7.64 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 24 D 8.18 4.47 0.00 2.63 2.36 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 25 L 7.30 3.56 0.00 1.58 1.10 0.92 0.38 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 26 K 7.76 3.81 0.00 1.79 1.72 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.51 7.81 27 R 7.70 3.84 0.00 1.87 1.94 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 28 V 7.47 3.30 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 0.67 0.00 0.00 0.68 0.00 0.00 29 S 8.00 4.16 0.00 3.93 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 30 D 7.91 4.42 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.18 0.00 3.14 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 32 L 8.18 3.90 0.00 1.73 1.70 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.41 3.88 0.00 1.96 2.11 0.00 3.25 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 34 N 8.09 4.32 0.00 2.86 2.81 0.00 0.00 7.05 7.37 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 35 K 7.79 3.87 0.00 1.85 1.80 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.02 1.45 7.81 36 L 8.23 3.94 0.00 1.83 1.87 0.90 1.04 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 37 Y 8.29 4.04 0.00 3.15 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.32 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.69 3.94 0.00 1.86 1.66 0.89 0.41 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 40 L 7.67 3.90 0.00 1.64 1.51 0.90 0.47 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 41 A 7.85 3.73 1.09 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 42 V 7.71 3.50 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 0.95 0.00 0.00 0.90 0.00 0.00 43 A 7.93 4.65 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 44 E 8.24 3.81 0.00 1.97 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 0.00 2.28 2.29 0.00 45 R 7.77 3.91 0.00 1.85 2.05 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 46 N 8.46 4.42 0.00 2.94 2.97 0.00 0.00 6.90 7.02 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 47 A 8.40 4.08 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 48 K 8.11 3.96 0.00 2.02 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 49 Y 7.99 4.10 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.18 4.69 0.00 2.84 2.87 0.00 0.00 7.04 7.63 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 51 G 7.99 3.85 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 0.00 0.00 0.00 52 R 8.18 4.73 0.00 1.99 1.96 0.00 3.47 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 53 D 8.55 4.85 0.00 2.66 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 54 L 7.34 4.65 0.00 1.47 1.17 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.15 4.35 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.30 0.85 0.00 0.00 56 F 9.36 5.03 0.00 2.94 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 57 E 9.15 3.95 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 58 P 0.00 4.39 0.00 2.12 2.12 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 59 D 8.26 4.50 0.00 2.93 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 60 L 7.69 4.43 0.00 1.75 1.59 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.43 0.00 2.14 2.04 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 62 I 7.52 4.14 1.86 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 1.33 0.61 0.90 0.00 0.00 63 A 8.16 4.25 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 64 K 8.73 3.84 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 65 G 8.02 3.61 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 0.00 0.00 0.00 66 L 7.84 4.01 0.00 1.72 1.80 0.90 0.68 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 67 Q 8.03 3.95 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 68 E 8.32 4.00 0.00 2.10 2.11 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 2.32 2.36 0.00 69 T 7.97 4.01 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 1.32 0.00 0.00 70 L 8.07 4.09 0.00 1.86 1.86 1.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.06 4.09 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 72 E 8.05 4.00 0.00 2.24 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 2.51 2.50 0.00 73 F 8.01 4.40 0.00 3.01 3.34 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 74 R 7.68 3.56 0.00 1.96 1.88 0.00 3.25 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 75 R 7.32 4.17 0.00 1.92 1.87 0.00 3.18 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 *77 D 7.40 4.33 0.00 2.63 2.62 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 0.00 0.00 0.00 0.00 78 T 6.94 4.52 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 79 A 7.90 3.96 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 80 L 8.36 4.70 0.00 1.66 1.56 0.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.48 4.16 0.00 1.95 1.88 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 2.32 2.30 0.00 82 L 8.56 4.09 0.00 1.68 1.65 0.92 0.33 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 83 K 8.13 3.79 0.00 1.86 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.76 1.53 7.81 84 P 0.00 4.24 0.00 2.30 2.08 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 85 V 7.67 3.59 2.18 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 1.14 0.00 0.00 0.92 0.00 0.00 86 L 7.91 3.99 0.00 1.79 1.70 0.92 1.14 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 87 D 8.38 4.35 0.00 2.61 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 88 A 7.98 4.13 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 89 L 8.37 4.01 0.00 1.86 1.83 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.14 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 91 A 7.66 4.09 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 92 L 6.81 4.36 0.00 1.14 0.59 0.21 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.28 0.00 2.15 2.04 0.00 3.39 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 94 P 0.00 4.50 0.00 2.06 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 95 L 8.08 4.46 0.00 1.76 1.69 0.82 0.89 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 96 D 9.24 4.53 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.81 0.00 1.53 1.47 0.95 0.93 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 98 E 8.35 4.39 0.00 1.86 1.81 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 2.36 2.31 0.00 99 V 7.94 4.67 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 0.62 0.00 0.00 0.88 0.00 0.00 100 A 8.55 3.96 1.06 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 0.00 101 E 9.00 3.90 0.00 2.00 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 2.40 2.37 0.00 102 D 8.07 4.42 0.00 2.72 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 0.00 103 V 7.59 3.73 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 1.00 0.00 0.00 0.99 0.00 0.00 104 R 7.98 3.87 0.00 1.91 2.09 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 105 N 7.94 4.61 0.00 2.79 2.87 0.00 0.00 7.02 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 0.00 106 L 7.81 4.21 0.00 1.90 1.91 1.00 0.62 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 0.00 107 L 7.49 3.95 0.00 1.85 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.23 0.00 2.18 2.23 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 109 E 8.13 4.13 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 110 L 8.10 3.91 0.00 1.82 1.67 0.91 0.77 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 0.00 111 A 8.09 4.03 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 0.00 112 G 7.33 2.32 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 0.00 113 A 7.56 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 0.00 114 L 8.27 4.08 0.00 1.85 1.88 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.82 3.53 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 0.68 0.00 0.00 1.01 0.00 0.00 116 V 7.97 3.57 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 1.02 0.00 0.00 1.10 0.00 0.00 117 A 8.42 4.14 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 0.00 118 Y 8.72 3.79 0.00 2.85 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 0.00 119 A 8.43 4.28 1.21 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 0.00 0.00 120 R 8.19 4.01 0.00 1.99 2.03 0.00 3.17 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 121 V 7.76 3.64 2.18 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 1.03 0.00 0.00 1.25 0.00 0.00 122 L 7.73 3.87 0.00 1.94 1.64 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.93 3.98 0.00 1.89 2.00 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 124 E 7.87 4.00 0.00 2.12 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 2.57 2.50 0.00 125 L 7.64 4.35 0.00 1.72 1.68 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.75 4.64 0.00 2.48 2.45 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 0.00 127 P 0.00 4.45 0.00 2.02 2.13 0.00 3.70 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 128 A 7.80 4.19 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 0.00 129 L 7.68 4.18 0.00 1.75 1.54 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.49 4.68 0.00 1.79 1.75 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.64 7.81 131 N 8.05 5.42 0.00 2.64 2.68 0.00 0.00 7.28 8.02 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 0.00 132 P 0.00 4.43 0.00 1.93 2.00 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 133 Q 7.82 4.74 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 134 T 8.55 3.87 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 135 E 8.08 3.92 0.00 2.17 2.18 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 2.20 2.34 0.00 136 H 7.82 4.26 0.00 3.22 3.24 0.00 5.64 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 0.00 137 H 8.21 4.34 0.00 3.30 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.43 3.94 0.00 2.15 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 2.28 2.58 0.00 139 R 7.82 3.95 0.00 1.91 1.94 0.00 3.11 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 140 A 7.91 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.89 3.49 0.00 2.01 1.64 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 1.47 1.97 0.00 142 R 7.51 4.00 0.00 1.92 2.04 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 143 V 8.06 3.82 2.37 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 1.14 0.00 0.00 1.00 0.00 0.00 144 F 8.83 4.22 0.00 3.72 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 0.00 145 N 8.69 5.05 0.00 2.98 3.02 0.00 0.00 6.99 7.63 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 0.00 146 L 7.78 4.22 0.00 1.80 1.75 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.87 4.58 0.00 1.47 1.58 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.44 4.25 0.00 1.63 1.44 0.46 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.