NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4806 8.1933 115.4120 57.7241 64.4549 174.4926 5 E 3.8300 8.7672 120.7565 58.6334 29.5863 177.0777 6 L 3.8768 8.8191 120.7131 58.1044 43.4149 177.5740 7 E 4.0487 7.8340 116.6650 59.4462 29.6923 179.8435 8 K 3.9270 7.9155 115.1979 57.1304 31.4016 178.6839 *10 L 4.2119 7.9381 120.9660 54.6966 43.2247 177.9922 11 K 4.1752 7.8626 114.8709 56.4648 32.1861 177.5398 12 G 4.2124 8.3790 106.9643 44.8747 0.0000 172.9711 13 E 4.7043 8.2077 118.3259 53.9405 32.0618 175.6984 14 H 4.4480 8.4014 117.5103 56.6569 29.1984 174.5835 15 F 4.9069 7.7299 115.3269 56.4678 40.4924 173.3451 16 D 4.7642 8.8379 120.3870 52.0631 40.4997 176.4742 17 G 4.1486 8.8135 115.9362 48.0982 0.0000 172.1861 18 A 4.5101 7.9223 120.0317 51.9620 19.5106 178.0064 19 S 4.1804 8.3659 113.6662 59.1318 64.6992 175.6018 20 A 4.2839 8.6757 126.6984 54.9245 18.2578 179.8668 21 E 3.8689 8.0588 117.7334 59.5674 29.9411 178.7995 22 I 3.6741 7.6599 119.4126 64.1207 37.1209 177.8920 23 E 4.0170 8.9230 120.3923 59.3709 29.4869 178.7272 24 A 4.0049 8.0213 120.7906 55.0626 18.3121 179.4153 25 L 3.9651 7.9683 118.4555 58.1450 42.2581 178.7198 26 R 4.1363 8.2963 120.1283 59.0954 29.8749 178.6452 27 S 4.1386 8.3563 114.8003 61.4516 62.8017 176.1785 28 Q 3.9270 8.3304 122.2261 59.3766 28.7917 178.5598 29 A 4.0640 8.3461 121.8758 55.0345 18.4830 179.8180 30 G 3.5661 8.1649 104.3274 47.8071 0.0000 175.9605 31 R 3.8803 7.9682 121.0889 59.2592 30.1192 178.6464 32 L 3.9736 8.0640 118.8976 57.6009 41.5125 179.6538 33 K 3.9141 8.5478 118.7970 59.5142 31.8244 179.2060 34 L 4.0358 7.5535 118.6531 57.9253 42.2926 178.6528 35 E 4.0988 8.0485 118.3350 59.3739 29.5496 179.3573 36 I 3.6917 7.8730 119.8641 64.4840 37.0778 178.1255 37 N 4.5843 8.4026 115.2836 54.8980 38.4113 175.2729 38 Q 4.5130 7.4811 118.6999 55.2751 30.5700 175.2486 39 S 4.2867 7.8146 112.2323 59.1226 62.8388 173.4503 40 L 4.6449 8.4979 125.4591 54.2976 42.2277 175.7436 41 D 4.9106 7.7965 118.8269 52.1027 43.6779 176.2229 42 E 3.9336 8.7876 127.1614 59.2219 29.8703 178.5450 43 A 4.0152 7.9269 120.4230 55.2148 18.5137 179.1023 44 E 3.8977 8.1306 117.4112 59.1782 29.7261 178.6268 45 R 3.8475 8.2051 118.9800 59.6320 30.2912 177.7315 46 Y 4.1192 8.2542 119.0050 60.6521 38.5519 177.6207 47 A 3.8862 8.1194 121.6026 55.4101 18.4587 179.3683 48 L 3.8551 8.3419 117.4709 58.3614 41.6973 180.0641 49 Q 3.6510 7.9933 117.5264 58.4902 28.3190 178.6774 50 R 3.8969 7.1866 117.6574 58.3307 30.1723 178.2786 51 E 4.0820 7.4276 118.0846 58.8917 29.8956 178.4861 52 L 3.9201 7.6766 120.5025 56.7680 42.1118 176.9243 53 F 5.4587 7.1321 115.8923 55.8423 40.7441 176.1519 54 G 3.8918 8.5814 110.6022 49.6367 0.0000 173.7994 55 H 5.0112 8.0047 119.0772 54.4392 33.5828 171.9492 56 L 4.8128 8.1495 126.6839 53.0772 44.5393 176.3133 57 G 4.4012 8.2711 113.4163 44.9087 0.0000 172.5550 58 H 4.3870 9.5311 117.9245 56.9544 29.0072 176.5800 59 K 3.6144 8.6169 120.7691 57.2578 29.7701 175.5162 60 S 4.8152 7.5205 115.0073 58.6420 64.2419 173.1532 61 C 4.7573 8.6042 119.6486 58.5561 35.2645 172.7120 62 V 4.5180 8.2608 124.9565 61.1879 33.9651 174.2240 63 Q 4.5793 8.1845 126.7337 53.7057 30.0394 174.2046 64 P 4.4199 0.0000 0.0000 61.9608 32.1418 174.2705 65 P 4.9535 0.0000 0.0000 62.2207 32.9379 174.9196 66 F 4.8925 9.1423 122.9799 56.8028 42.5007 173.5877 67 H 4.9043 8.0799 122.2162 54.0129 31.8894 172.5071 68 C 4.6115 8.2604 116.5173 57.1661 32.4076 173.9166 69 E 3.9236 8.8732 117.6055 58.0923 29.5380 178.6593 70 F 4.7987 8.4956 114.6059 56.3074 41.8416 176.2588 71 G 4.8832 9.4928 113.7999 46.7284 0.0000 175.9673 72 K 4.3709 7.9949 117.5772 57.9197 32.6242 178.2337 73 T 4.1204 8.0261 108.6791 62.9803 69.6768 173.6376 74 I 4.8150 7.9166 124.9522 60.1178 39.0311 174.7807 75 R 5.0146 8.8946 126.1850 54.3381 33.0181 174.7354 76 I 4.6664 8.5079 124.9719 59.3893 40.2027 176.3309 77 G 4.2181 8.8621 117.2838 46.5802 0.0000 172.1468 78 D 5.1290 9.9988 122.2142 53.0880 43.9267 176.2540 79 H 4.3645 8.2146 114.9183 57.8186 27.2150 174.6377 80 T 5.1312 7.8727 113.8400 61.7320 72.6286 174.0947 81 F 5.2992 9.4605 126.7491 56.4953 43.1281 173.3806 82 I 4.8052 7.8536 126.5576 58.4698 39.6653 173.3759 83 N 4.7555 9.3352 134.6231 53.1106 40.2385 175.3029 *85 N 4.7600 8.6908 113.8766 52.9476 41.2295 172.9271 86 V 4.1910 7.9933 117.1033 62.4589 33.2471 175.2296 87 V 4.8481 8.3573 126.8101 60.1833 35.2919 173.8509 *89 L 4.5627 8.2122 120.2906 54.2164 42.9232 177.5661 90 D 5.3112 8.1637 127.0957 52.5334 39.8922 177.8840 91 G 3.7961 8.8371 110.8059 49.0294 0.0000 173.9014 92 A 4.8128 7.4703 119.2396 48.7801 22.3030 174.9001 93 P 4.5167 0.0000 0.0000 63.3183 32.6715 175.5918 94 I 4.9769 8.5057 124.5064 59.8775 39.8639 174.5856 95 T 4.9571 9.1327 124.3662 61.7405 71.4016 173.1612 96 I 4.9530 8.7984 127.6991 59.4604 40.1917 176.5765 97 G 3.8980 9.0114 116.8357 46.4190 0.0000 172.5113 98 D 5.0280 9.7276 120.8739 53.6555 43.6663 176.3730 99 H 4.8586 8.4739 114.4393 56.1733 27.1474 174.5229 100 V 4.8546 7.7623 118.0263 61.5496 33.8374 174.3366 101 L 5.5139 8.9943 126.5100 53.1363 45.0553 175.4807 102 I 5.1739 9.0229 123.9618 59.6033 40.3892 175.8976 103 G 4.3479 9.3394 115.3515 44.4848 0.0000 170.9463 104 P 4.5437 0.0000 0.0000 64.1387 31.7010 177.6069 105 S 4.7055 8.8505 116.0902 59.9934 60.1414 170.2455 106 T 4.3875 7.3800 117.1429 63.7244 69.7995 173.4559 107 Q 5.0902 9.4560 123.1849 54.1702 32.1789 174.4579 108 F 4.8712 9.4748 123.2466 55.9577 41.0604 174.7001 109 Y 5.0712 8.6317 123.3285 56.6992 38.8612 176.1128 110 T 4.3788 9.1782 115.7010 63.0622 70.3887 174.8148 111 A 4.8913 8.0233 123.7559 51.8882 20.0272 176.2463 112 S 4.4450 8.5507 113.5973 57.8871 66.7118 172.4472 113 H 5.3775 8.4550 119.3579 53.6746 32.4934 173.3952 114 S 4.6136 8.5508 113.6591 57.3705 64.0629 174.7646 115 L 4.0606 8.3900 121.8158 57.3029 41.9990 177.0349 116 D 4.5973 7.6418 120.5474 53.4997 41.5866 176.5633 117 Y 4.2494 8.8231 126.0145 60.1649 37.8527 178.2785 118 R 3.6040 7.0473 119.1137 58.3943 29.9878 177.9448 119 R 4.4682 7.2272 115.9397 55.9486 30.6293 176.9472 120 R 4.7011 7.9506 116.2820 55.8043 31.9812 177.0825 121 Q 4.2534 8.2174 116.0917 57.4991 28.8798 176.2082 122 A 4.4633 8.6529 121.7130 51.6256 19.3529 176.8669 123 W 3.6952 8.3086 116.0956 58.7247 27.5181 174.9534 124 E 4.0103 7.3611 114.7695 57.8811 29.4849 177.1083 125 T 4.9344 7.9668 116.7912 62.6691 72.9084 172.9409 126 I 4.6658 8.6493 126.5619 59.7803 40.4750 174.2762 127 C 6.0056 8.6689 122.4375 57.1522 31.1874 172.8786 128 K 4.9268 8.5702 122.3075 53.7667 34.6152 174.4700 129 P 4.6922 0.0000 0.0000 62.7501 32.9513 175.0918 130 I 4.8625 8.4713 122.9999 59.5569 40.3086 174.7349 131 V 4.9246 8.7563 125.9494 61.1129 34.7860 174.0815 132 I 4.7296 9.3612 129.4203 59.4481 39.5655 175.2223 133 E 4.5519 8.8784 128.7456 55.2046 30.9240 175.7605 134 D 4.6031 8.7228 121.4478 55.6384 42.1583 177.0560 135 D 4.8572 9.1278 119.2709 54.9071 39.2819 173.5272 136 V 4.3923 7.6286 118.6426 62.1635 33.4286 174.6738 137 W 5.5495 9.4652 135.0000 56.0386 33.1807 173.5779 138 I 4.2433 9.3080 129.6733 59.3434 38.6627 176.9615 139 G 3.4529 7.6371 115.8411 45.3786 0.0000 172.9568 140 G 3.8285 8.5835 106.3361 46.3427 0.0000 173.5915 141 N 4.5875 8.7975 119.1430 54.2836 38.2599 173.7429 142 V 4.4054 7.4861 114.6799 61.5485 33.8540 174.2462 143 V 4.4231 8.6506 126.5626 61.0818 33.8175 174.1652 144 I 4.4887 8.2159 128.9058 59.6010 39.7887 175.1726 145 N 5.3625 8.5991 124.4889 51.0518 41.3981 174.5623 146 Q 4.1625 8.5848 118.0323 57.8330 28.9040 177.2172 147 G 4.0562 8.7607 107.1865 44.8347 0.0000 173.3672 148 V 4.2362 7.2301 119.3264 62.2495 33.2676 174.7266 149 T 5.0906 9.2183 124.3197 61.9194 71.3810 173.2069 150 I 4.6015 8.5358 127.3978 59.3179 38.9133 175.8242 151 G 4.1121 9.0915 115.2700 45.5954 0.0000 172.6541 152 A 4.2860 8.5695 124.1237 54.0130 18.7047 178.5193 153 R 4.4713 8.5202 119.8623 57.5421 28.1530 176.4054 154 S 4.9798 7.5199 112.8105 57.2511 65.8332 173.2402 155 V 4.7983 8.8383 121.1009 61.2109 34.7605 174.2228 156 V 4.6111 8.3833 127.9893 60.7432 32.8248 174.9907 157 A 4.2899 8.9752 130.3638 51.5595 19.6027 176.5941 158 A 3.8943 8.3978 122.2561 53.8781 18.8200 177.1854 159 N 4.9536 8.7869 118.0317 53.9310 38.3573 174.5559 160 S 4.4892 7.4245 111.8266 58.0480 64.6187 173.4513 161 V 4.4221 7.8570 121.5547 61.2991 34.1448 174.5785 162 V 4.3611 8.8866 129.7312 61.8348 32.0338 175.8718 163 N 4.7270 8.8804 125.4785 53.6234 39.7031 174.7270 164 Q 4.6611 7.5225 114.2586 53.8909 32.0686 174.3114 165 D 4.6704 8.7257 119.2316 55.2551 41.8113 176.3884 166 V 4.3818 8.6944 121.7383 60.3648 33.7207 173.6180 167 P 4.7532 0.0000 0.0000 61.7993 32.0692 174.4357 168 P 4.3470 0.0000 0.0000 62.6867 32.3752 175.5401 169 D 4.5583 9.0335 119.0005 55.8965 39.1752 173.4184 170 T 5.1538 7.8254 112.5434 61.8433 73.9838 173.7772 171 L 5.1782 8.7149 125.4385 53.5367 44.5743 175.6808 172 V 4.9353 8.5340 118.8159 59.9801 35.9862 174.7126 173 G 4.5549 8.9861 108.7248 46.1000 0.0000 173.4689 174 G 4.2068 9.0273 105.7360 45.1981 0.0000 172.6432 175 T 4.5996 7.8248 114.9058 60.8980 70.3719 172.7319 176 P 4.6840 0.0000 0.0000 61.7254 32.4596 176.5045 177 A 4.6148 8.4463 124.3338 51.9116 18.9731 177.0776 178 R 4.6722 9.0739 121.8415 53.9542 33.8538 174.9859 179 I 4.0442 8.2850 123.8652 62.0868 37.1298 175.6294 180 L 4.5468 9.2383 128.2966 56.1684 42.6619 177.0610 181 R 4.5878 7.3918 112.3509 54.9235 32.2628 173.9476 182 S 4.5659 8.7730 115.7652 58.7580 62.9634 173.6655 183 L 4.6968 8.6895 124.1855 54.2730 42.7357 177.0944 184 K 3.9787 7.5656 120.7851 57.5524 32.8357 176.2791 185 D 4.9101 8.6982 122.6281 54.5959 40.1187 174.9278 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 4 S 8.19 4.48 0.00 4.00 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 5 E 8.77 3.83 0.00 2.10 2.17 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 2.36 2.37 0.00 6 L 8.82 3.88 0.00 1.49 1.72 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.83 4.05 0.00 2.29 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 2.30 2.30 0.00 8 K 7.92 3.93 0.00 2.11 2.08 0.00 1.92 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.58 7.81 *10 L 7.94 4.21 0.00 1.79 1.70 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.86 4.18 0.00 1.87 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.53 7.81 12 G 8.38 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.21 4.70 0.00 2.04 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 2.29 2.31 0.00 14 H 8.40 4.45 0.00 3.16 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.73 4.91 0.00 3.16 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 16 D 8.84 4.76 0.00 2.88 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 17 G 8.81 4.15 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 0.00 0.00 0.00 18 A 7.92 4.51 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 19 S 8.37 4.18 0.00 3.94 3.86 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 20 A 8.68 4.28 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 21 E 8.06 3.87 0.00 2.04 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 2.34 2.38 0.00 22 I 7.66 3.67 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.40 1.03 0.00 0.00 23 E 8.92 4.02 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 24 A 8.02 4.00 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 25 L 7.97 3.97 0.00 1.84 1.75 1.04 0.62 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 26 R 8.30 4.14 0.00 2.34 2.28 0.00 3.25 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 0.00 27 S 8.36 4.14 0.00 4.09 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 28 Q 8.33 3.93 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 29 A 8.35 4.06 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 30 G 8.16 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 31 R 7.97 3.88 0.00 1.90 2.08 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 32 L 8.06 3.97 0.00 1.88 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.55 3.91 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.47 7.81 34 L 7.55 4.04 0.00 1.64 1.69 0.92 0.97 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 35 E 8.05 4.10 0.00 2.19 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 2.31 2.48 0.00 36 I 7.87 3.69 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.87 0.00 0.00 37 N 8.40 4.58 0.00 2.72 2.89 0.00 0.00 6.82 7.25 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 38 Q 7.48 4.51 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 39 S 7.81 4.29 0.00 4.04 3.90 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 40 L 8.50 4.64 0.00 1.65 1.64 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.80 4.91 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 3.93 0.00 2.14 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 2.37 2.46 0.00 43 A 7.93 4.02 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 44 E 8.13 3.90 0.00 2.10 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 2.37 2.42 0.00 45 R 8.21 3.85 0.00 2.00 2.16 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 46 Y 8.25 4.12 0.00 3.12 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 47 A 8.12 3.89 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 48 L 8.34 3.86 0.00 1.85 1.64 0.91 1.23 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 49 Q 7.99 3.65 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.08 2.37 0.00 50 R 7.19 3.90 0.00 1.71 1.83 0.00 2.48 0.00 0.00 3.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.00 51 E 7.43 4.08 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 2.29 2.23 0.00 52 L 7.68 3.92 0.00 1.48 1.16 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.13 5.46 0.00 3.07 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 54 G 8.58 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 55 H 8.00 5.01 0.00 3.15 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.15 4.81 0.00 1.64 1.34 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.27 4.40 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 66 F 9.14 4.89 0.00 2.92 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 67 H 8.08 4.90 0.00 2.90 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.26 4.61 0.00 3.12 2.76 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 0.00 0.00 0.00 69 E 8.87 3.92 0.00 1.87 1.12 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 2.04 2.12 0.00 70 F 8.50 4.80 0.00 3.13 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.49 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.99 4.37 0.00 1.80 1.92 0.00 2.00 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.40 7.81 73 T 8.03 4.12 4.41 0.00 0.00 0.00 0.00 0.00 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 74 I 7.92 4.82 2.07 0.00 0.00 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 1.27 1.29 0.50 0.00 0.00 75 R 8.89 5.01 0.00 1.70 1.79 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 76 I 8.51 4.67 1.69 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.42 0.77 0.00 0.00 77 G 8.86 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 0.00 0.00 0.00 0.00 78 D 10.00 5.13 0.00 2.57 2.40 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 79 H 8.21 4.36 0.00 3.10 3.26 0.00 5.55 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 80 T 7.87 5.13 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 1.30 0.00 0.00 81 F 9.46 5.30 0.00 3.11 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 82 I 7.85 4.81 1.60 0.00 0.00 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0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.18 4.38 4.44 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 1.37 0.00 0.00 111 A 8.02 4.89 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 0.00 112 S 8.55 4.44 0.00 3.91 3.66 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 0.00 0.00 0.00 0.00 113 H 8.45 5.38 0.00 3.05 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.55 4.61 0.00 3.99 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 0.00 115 L 8.39 4.06 0.00 1.68 1.81 0.95 1.05 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 0.00 116 D 7.64 4.60 0.00 2.82 2.51 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 0.00 117 Y 8.82 4.25 0.00 3.31 3.18 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 0.00 118 R 7.05 3.60 0.00 1.58 1.77 0.00 2.87 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 0.00 119 R 7.23 4.47 0.00 1.93 1.92 0.00 3.09 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 120 R 7.95 4.70 0.00 2.05 1.92 0.00 3.12 0.00 0.00 3.47 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 121 Q 8.22 4.25 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.53 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 122 A 8.65 4.46 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.31 3.70 0.00 3.43 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 0.00 124 E 7.36 4.01 0.00 2.16 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 2.29 2.31 0.00 125 T 7.97 4.93 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 1.40 0.00 0.00 126 I 8.65 4.67 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 1.18 0.74 0.94 0.00 0.00 127 C 8.67 6.01 0.00 2.89 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 0.00 128 K 8.57 4.93 0.00 1.68 1.70 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 129 P 0.00 4.69 0.00 2.10 2.06 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 130 I 8.47 4.86 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 1.01 0.00 0.00 131 V 8.76 4.92 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 1.08 0.00 0.00 0.96 0.00 0.00 132 I 9.36 4.73 2.01 0.00 0.00 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 1.28 0.44 1.01 0.00 0.00 133 E 8.88 4.55 0.00 2.00 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 2.34 2.37 0.00 134 D 8.72 4.60 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 135 D 9.13 4.86 0.00 2.89 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 0.00 136 V 7.63 4.39 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 1.15 0.00 0.00 137 W 9.47 5.55 0.00 3.30 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 0.00 138 I 9.31 4.24 1.96 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 1.07 0.65 0.83 0.00 0.00 139 G 7.64 3.45 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 0.00 140 G 8.58 3.83 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 0.00 0.00 0.00 141 N 8.80 4.59 0.00 2.97 2.82 0.00 0.00 6.83 7.32 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 0.00 142 V 7.49 4.41 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 0.75 0.00 0.00 0.92 0.00 0.00 143 V 8.65 4.42 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 0.46 0.00 0.00 0.86 0.00 0.00 144 I 8.22 4.49 0.99 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.20 0.64 0.00 0.00 145 N 8.60 5.36 0.00 2.81 2.75 0.00 0.00 6.36 7.36 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 0.00 146 Q 8.58 4.16 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 147 G 8.76 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 0.00 148 V 7.23 4.24 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 0.87 0.00 0.00 1.02 0.00 0.00 149 T 9.22 5.09 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 1.22 0.00 0.00 150 I 8.54 4.60 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.90 0.00 0.00 151 G 9.09 4.11 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 0.00 0.00 0.00 152 A 8.57 4.29 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 0.00 153 R 8.52 4.47 0.00 2.16 2.14 0.00 3.13 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 154 S 7.52 4.98 0.00 3.92 3.90 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 0.00 155 V 8.84 4.80 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 0.84 0.00 0.00 1.16 0.00 0.00 156 V 8.38 4.61 1.87 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 0.74 0.00 0.00 0.83 0.00 0.00 157 A 8.98 4.29 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 0.00 158 A 8.40 3.89 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 0.00 159 N 8.79 4.95 0.00 2.80 2.85 0.00 0.00 7.19 8.43 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 0.00 160 S 7.42 4.49 0.00 3.75 3.67 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 0.00 161 V 7.86 4.42 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 0.93 0.00 0.00 0.90 0.00 0.00 162 V 8.89 4.36 1.93 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 0.85 0.00 0.00 0.82 0.00 0.00 163 N 8.88 4.73 0.00 2.72 2.83 0.00 0.00 6.93 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 7.52 4.66 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 165 D 8.73 4.67 0.00 2.57 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.69 4.38 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 0.94 0.00 0.00 167 P 0.00 4.75 0.00 1.97 1.97 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 168 P 0.00 4.35 0.00 1.94 2.00 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 169 D 9.03 4.56 0.00 2.78 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 0.00 170 T 7.83 5.15 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 171 L 8.71 5.18 0.00 1.75 1.62 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.53 4.94 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 0.61 0.00 0.00 0.90 0.00 0.00 173 G 8.99 4.55 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 0.00 0.00 0.00 174 G 9.03 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.82 4.60 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 0.00 176 P 0.00 4.68 0.00 1.92 1.95 0.00 3.67 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 2.01 2.08 0.00 177 A 8.45 4.61 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 0.00 178 R 9.07 4.67 0.00 1.81 1.73 0.00 3.09 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 179 I 8.29 4.04 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 1.34 0.51 0.90 0.00 0.00 180 L 9.24 4.55 0.00 1.57 1.70 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.39 4.59 0.00 1.83 1.97 0.00 2.97 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 182 S 8.77 4.57 0.00 3.91 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 0.00 183 L 8.69 4.70 0.00 1.59 1.68 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.57 3.98 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 185 D 8.70 4.91 0.00 2.77 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.