NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5892 8.1733 120.0879 56.3029 34.4061 174.1373 3 K 4.7641 9.0039 120.8731 53.6750 36.4951 173.5180 4 L 5.0392 9.2045 127.1722 53.4123 45.5029 174.2183 5 Y 4.9748 9.3167 124.2866 56.6558 40.4592 175.1194 6 I 4.5038 9.0473 127.8838 60.0689 38.1107 174.3820 7 I 4.5112 8.5997 128.5918 60.4421 38.6290 174.5987 8 T 5.0839 8.5392 124.1917 58.8328 70.9263 171.8774 9 G 3.9892 9.2530 105.1430 42.4045 0.0000 171.8163 10 P 4.4524 0.0000 0.0000 62.0808 31.9211 176.1637 11 A 3.9800 8.2427 122.8124 53.6407 18.7328 178.5156 12 G 3.9480 8.8299 109.0303 45.5570 0.0000 174.8283 13 V 3.6429 7.2167 117.9459 62.6177 32.0322 176.9718 14 G 3.9085 8.1019 109.3300 46.0549 0.0000 176.0157 15 K 3.9046 8.2892 120.5573 59.0915 32.1115 178.5407 16 S 4.2260 8.0630 112.7867 61.9560 62.2277 176.0941 17 T 3.7996 7.8501 117.6642 67.0001 68.1116 176.6387 18 T 3.8154 7.9193 117.4408 66.7514 68.4409 176.7427 19 C 3.9671 8.3348 119.0476 62.6923 28.2670 176.3041 20 K 3.3690 7.6886 120.0314 59.1523 31.3160 179.4676 21 R 3.7693 7.2937 118.1982 59.0542 30.3096 177.9019 22 L 3.8827 7.9200 120.1376 58.0484 42.1772 178.5417 23 A 3.8820 8.0320 120.7033 55.3409 18.1449 179.4444 24 A 4.0177 7.4753 116.4160 54.6908 18.4024 179.0923 25 Q 4.1219 7.7711 115.7772 56.9684 29.4002 176.6248 26 L 4.3547 6.9515 118.4217 54.1182 42.5847 176.9127 27 D 4.4318 8.7042 121.4257 56.9770 41.1879 176.5474 28 N 5.0796 7.9684 116.8174 51.6641 42.0219 173.8440 29 S 5.2752 8.5496 116.8567 57.0667 66.7452 173.0917 30 A 4.3965 9.2474 121.6738 50.0430 22.0970 174.3480 31 Y 5.2174 8.4287 122.4185 55.9515 40.9786 174.6362 32 I 4.1082 8.7585 128.2646 59.4671 40.0908 174.5727 33 E 4.2465 8.1176 127.0391 54.6336 30.3002 176.7111 34 G 2.5907 8.9941 113.7802 47.7832 0.0000 173.9030 35 D 4.2107 7.8367 120.3757 57.0560 40.6479 178.5843 36 I 3.5877 7.1891 117.7116 63.8841 38.0030 177.7879 37 I 3.6909 7.2366 119.3558 64.2918 37.0893 177.3303 38 N 4.6733 7.5537 117.7788 55.8065 40.1049 176.2358 39 H 4.4546 7.7752 118.6248 53.6408 25.8118 173.6587 *41 V 3.7963 7.1940 119.7925 61.3808 32.3090 175.2145 42 V 3.8196 7.6315 125.5626 63.4507 32.5511 175.1455 43 G 3.8555 7.9882 108.8867 47.3616 0.0000 173.2522 44 G 3.8733 9.0054 112.6874 45.7067 0.0000 172.6910 45 Y 4.1538 7.6755 120.0062 57.6331 39.3197 175.4941 46 R 4.1325 6.3337 123.6716 53.6793 33.2690 172.9935 47 P 3.8710 0.0000 0.0000 61.7704 31.9981 175.1886 48 P 4.0940 0.0000 0.0000 65.6780 31.2781 178.0268 49 W 4.7169 7.4958 111.2661 57.0363 28.2113 176.0670 50 E 4.5294 7.7137 116.9838 55.9516 30.2999 176.8094 51 S 4.2708 7.5713 113.0792 56.6084 64.5593 174.2876 52 D 4.4780 8.6574 130.6590 56.8449 40.6381 178.6244 53 E 3.9477 8.0409 119.1078 59.5374 29.7161 179.0359 54 L 4.0103 8.1058 119.1964 57.6233 41.6195 179.4557 55 L 4.0622 8.1665 120.2381 58.1199 42.0986 178.9054 56 A 4.2081 8.2398 120.8633 54.8355 18.2111 179.3711 57 L 3.9108 8.1118 118.9711 58.7427 42.0982 179.1171 58 T 3.7673 7.9856 115.6135 66.7847 68.3394 176.5584 59 W 4.0675 8.2824 120.2884 59.0155 28.9545 178.7668 60 K 4.0086 8.1852 120.0764 59.6389 31.7376 178.6330 61 N 4.2911 8.4975 117.1801 56.2933 38.3772 177.4772 62 I 3.5649 7.8787 121.3522 64.6270 37.1858 178.5587 63 T 3.9435 8.1954 116.6428 66.9866 68.3976 176.5096 64 D 4.3765 8.3219 120.7316 57.2262 40.7747 178.9226 65 L 3.8082 7.8893 119.6829 57.8135 41.6128 179.5740 66 T 4.0470 8.1549 115.8854 66.5709 68.3316 176.7654 67 V 3.6023 7.8855 120.0604 66.1590 31.5927 177.6317 68 N 4.2299 7.8137 115.5434 56.5271 38.3049 177.4069 69 F 4.5037 8.0120 118.9034 60.5346 38.9072 177.8284 70 L 4.5222 8.1519 119.9303 57.5292 41.2972 179.5907 71 L 4.0287 8.0963 117.5134 57.4369 41.5322 178.5323 72 A 4.3697 7.7127 118.2120 51.9215 18.3384 177.2663 73 Q 3.7337 8.1190 116.0860 57.3865 26.7192 172.8082 74 N 5.2574 8.2249 115.1066 51.5852 41.4726 174.3351 75 D 4.8625 9.0742 122.9462 54.1956 42.8372 175.3729 76 V 4.7566 8.8290 121.6676 61.1387 34.5815 174.3863 77 V 4.9091 9.2072 128.3703 61.3801 33.5894 173.6440 78 L 5.0733 9.1034 131.5948 53.4164 44.3447 174.3983 79 D 5.3675 8.6729 126.6664 53.5712 43.2717 174.0969 80 Y 5.0036 8.0569 125.0485 57.6867 43.5838 172.1901 81 I 4.2483 7.1551 121.4284 60.0319 37.7910 175.6552 82 A 4.5208 8.9221 128.5423 49.8245 22.0973 175.9853 83 F 5.1350 8.4274 121.6691 54.9147 42.7062 175.2341 84 P 4.0258 0.0000 0.0000 66.2110 30.9947 178.4132 85 D 4.2996 8.1402 116.6890 57.6123 40.7368 178.7765 86 E 3.4182 7.9056 118.0408 59.0016 29.3644 179.0806 87 A 3.6810 7.7900 120.9402 54.9105 18.3229 179.2280 88 E 3.9461 8.5016 117.9386 59.3597 29.8649 178.8358 89 A 3.9245 7.8800 120.6428 55.1068 18.4645 179.1999 90 L 3.9186 7.9639 118.6957 58.3371 42.0546 178.9684 91 A 4.0305 8.1262 120.5792 55.3831 18.1121 179.5338 92 Q 3.9601 7.9851 115.2646 59.4179 29.2052 179.1925 93 T 4.0319 7.8222 116.1139 66.7356 68.5514 177.1547 94 V 3.6460 7.8840 114.2505 64.7053 31.4310 178.5302 95 Q 4.0945 8.2534 117.7132 58.8506 28.9172 177.5368 96 A 4.3071 7.7105 119.5838 52.9795 18.9940 177.7426 97 K 4.4758 7.8359 114.0974 56.0539 34.2795 176.3535 98 V 4.4775 8.4010 117.8818 61.1153 34.6071 174.0192 99 D 4.8316 8.5493 125.1875 53.6351 43.0506 175.4770 100 D 4.2823 8.4928 117.7933 56.0462 38.1121 175.0632 101 V 4.4451 7.6186 117.7068 61.1705 33.8777 174.9496 102 E 4.3976 8.8031 130.9158 55.4087 30.4912 174.9193 103 I 4.7931 8.3748 128.1093 60.1027 39.1440 175.4499 104 R 5.0014 9.1224 125.0454 54.3641 33.4132 174.2125 105 F 5.3061 8.9761 125.7097 56.5522 41.3296 174.6537 106 I 4.4632 8.3866 126.5292 59.6176 41.0598 174.3626 107 I 4.3197 8.4396 129.1445 59.1874 38.4706 174.9662 108 L 4.6847 8.3008 128.4107 54.3904 42.1699 177.0470 109 W 4.6986 9.1679 122.9246 55.7455 33.2865 174.1474 110 T 4.5795 8.3219 108.5321 60.2656 70.9013 173.4840 111 N 4.4465 7.4446 114.1731 50.6270 43.2798 175.3670 112 R 3.8231 8.7472 126.2450 59.7388 30.6160 179.0056 113 E 4.1111 8.1882 117.5337 58.9868 29.4149 179.0957 114 E 3.9069 8.1266 118.6735 59.5090 29.1529 179.4065 115 L 3.9505 7.8536 118.4450 57.1747 41.3030 179.3471 116 L 3.7523 7.4136 119.7417 57.7290 42.2300 178.3189 117 R 4.2782 7.6716 116.8174 57.9836 30.5819 178.5407 118 R 3.8627 8.0920 117.7116 58.6421 30.3876 176.9411 119 D 4.6701 7.5837 114.7652 53.1834 40.2461 177.6464 120 A 4.2127 8.0154 121.4934 53.5801 18.0044 177.3588 121 L 4.8950 7.6805 116.6365 54.7508 43.1460 178.7096 122 R 4.1097 8.3006 115.8937 57.6171 30.5731 176.5874 123 K 4.5065 7.1804 113.0591 53.5150 34.6493 171.9126 124 K 4.0586 8.2157 129.0870 56.8450 39.8471 176.1942 *129 G 4.0397 8.6739 106.2133 44.9610 0.0000 174.9801 130 E 3.8702 9.4206 125.7651 59.4723 29.4490 177.7720 131 R 4.1719 7.9650 119.1896 58.7568 29.7762 177.5989 132 C 4.3172 8.0769 115.1606 61.4447 28.3142 174.6551 133 L 4.3940 7.9857 120.6937 55.7485 42.0179 178.4040 134 E 4.0944 7.9530 119.1771 59.6379 29.3094 179.3657 135 L 4.2450 7.8887 118.1748 57.3108 41.5737 179.4829 136 V 3.7485 7.7246 118.3784 66.1185 31.6569 177.8010 137 E 4.2277 8.3732 116.8984 58.9221 29.4490 178.9624 138 E 3.8778 7.8485 119.0961 59.5299 29.3564 179.0260 139 F 4.5831 8.1031 116.3454 60.6862 39.3360 177.4176 140 E 4.2600 8.5548 118.4824 59.6418 29.2196 179.6419 141 S 4.2703 8.0469 112.5810 61.1281 63.0141 175.8725 142 K 4.1806 7.9599 119.6146 56.0765 32.7619 176.6223 143 G 4.0701 7.9425 108.0806 46.4938 0.0000 173.8390 144 I 4.4081 7.5848 116.8644 60.1360 39.1919 176.3486 145 D 4.4914 8.9593 123.0505 54.7028 41.7898 176.7951 146 E 4.1329 8.6050 124.4204 57.5884 30.0170 178.3912 147 R 3.9954 7.7685 113.9723 58.7771 30.0751 177.1245 148 Y 4.9442 7.5256 115.3102 59.6256 38.5317 175.3346 149 F 4.7140 7.9474 118.0572 57.5030 40.1409 175.3954 150 Y 5.1117 9.2991 123.6832 55.8084 40.4679 172.4100 151 N 5.0875 9.0999 124.0655 52.9103 39.5413 174.4657 152 T 4.5113 8.9949 118.5066 61.2917 69.2548 176.5536 153 S 4.1440 8.6860 119.6856 61.7180 63.2467 174.4016 154 H 4.7499 8.0224 115.6029 55.5948 29.2175 174.6997 155 L 4.4907 7.1648 119.3413 53.8186 43.0011 175.6663 156 Q 4.7230 8.0779 118.3483 53.3229 31.1503 175.6052 157 P 4.2075 0.0000 0.0000 65.7666 31.4796 177.6179 158 T 4.1570 7.8520 111.1629 63.0056 67.4688 173.8331 159 N 4.9775 8.1793 117.0378 53.4285 39.6901 175.7271 160 L 3.9016 7.9384 123.1279 58.8514 41.7964 179.1128 161 N 4.3977 8.1061 115.3252 56.1285 38.3774 177.1060 162 D 4.3645 8.1521 120.6500 57.1897 40.9544 178.5344 163 I 3.8804 7.7826 119.8185 64.8522 37.2657 178.8501 164 V 3.6861 7.8194 112.6272 63.8502 30.9909 178.5961 165 K 4.0025 7.7847 119.8412 59.1941 31.9083 178.3043 166 N 4.2243 8.4330 118.0238 56.4672 38.8908 176.6968 167 L 3.9689 7.8023 119.7987 57.7105 40.4684 178.3004 168 K 4.3626 7.5822 120.0903 58.4307 32.3286 176.9770 169 T 4.5499 7.3694 106.8284 61.3435 70.4668 174.0079 170 N 4.2928 9.1522 123.1745 53.3805 39.2478 173.6362 171 P 4.1496 0.0000 0.0000 64.7884 32.0400 178.4551 172 R 3.6809 7.8283 115.7287 58.7901 29.2454 177.4531 173 F 4.9732 7.3803 115.2001 57.7509 39.3696 177.0250 174 I 3.7885 7.9346 120.0132 61.4950 38.2647 175.1270 175 F 4.4586 9.1847 120.0703 59.1938 37.4966 174.7601 176 C 4.1297 8.1542 122.0966 60.5332 27.9888 174.6321 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 K 8.17 4.59 0.00 1.79 1.82 0.00 1.49 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.58 7.81 3 K 9.00 4.76 0.00 1.58 1.11 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.24 1.42 7.81 4 L 9.20 5.04 0.00 1.73 1.41 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.32 4.97 0.00 2.87 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 6 I 9.05 4.50 2.13 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 1.34 0.73 1.18 0.00 0.00 7 I 8.60 4.51 1.90 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 1.16 1.45 0.85 0.00 0.00 8 T 8.54 5.08 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 1.07 0.00 0.00 9 G 9.25 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 0.00 0.00 0.00 10 P 0.00 4.45 0.00 1.99 1.96 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.29 0.00 11 A 8.24 3.98 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 12 G 8.83 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 13 V 7.22 3.64 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 0.63 0.00 0.00 0.82 0.00 0.00 14 G 8.10 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 15 K 8.29 3.90 0.00 1.84 1.98 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 16 S 8.06 4.23 0.00 3.94 3.88 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 17 T 7.85 3.80 4.19 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 1.15 0.00 0.00 18 T 7.92 3.82 4.16 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 1.13 0.00 0.00 19 C 8.33 3.97 0.00 2.79 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 20 K 7.69 3.37 0.00 1.59 1.64 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.04 1.32 7.81 21 R 7.29 3.77 0.00 1.75 1.97 0.00 3.26 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 1.57 1.60 0.00 22 L 7.92 3.88 0.00 1.63 1.63 0.48 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.03 3.88 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 24 A 7.48 4.02 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 25 Q 7.77 4.12 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 26 L 6.95 4.35 0.00 1.67 1.62 0.96 0.93 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 27 D 8.70 4.43 0.00 2.68 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 28 N 7.97 5.08 0.00 2.60 2.86 0.00 0.00 6.63 7.57 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 29 S 8.55 5.28 0.00 3.81 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 30 A 9.25 4.40 0.04 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 31 Y 8.43 5.22 0.00 2.77 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 32 I 8.76 4.11 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.71 0.00 0.00 33 E 8.12 4.25 0.00 1.54 1.68 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 2.25 1.87 0.00 34 G 8.99 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.84 4.21 0.00 2.68 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 36 I 7.19 3.59 1.77 0.00 0.00 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 1.44 0.53 0.83 0.00 0.00 37 I 7.24 3.69 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.71 0.00 0.00 38 N 7.55 4.67 0.00 2.62 2.85 0.00 0.00 7.19 7.59 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 39 H 7.78 4.45 0.00 3.09 3.03 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 V 7.19 3.80 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 0.98 0.00 0.00 1.02 0.00 0.00 42 V 7.63 3.82 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 0.97 0.00 0.00 0.89 0.00 0.00 43 G 7.99 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 0.00 0.00 0.00 44 G 9.01 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 45 Y 7.68 4.15 0.00 3.21 2.89 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 46 R 6.33 4.13 0.00 1.45 1.36 0.00 3.26 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 47 P 0.00 3.87 0.00 0.49 1.25 0.00 3.39 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.60 0.00 48 P 0.00 4.09 0.00 2.33 2.26 0.00 3.03 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 49 W 7.50 4.72 0.00 3.42 3.41 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 0.00 50 E 7.71 4.53 0.00 1.74 1.86 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 2.33 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0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.01 0.00 2.08 2.07 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 61 N 8.50 4.29 0.00 2.84 2.77 0.00 0.00 7.10 6.91 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 62 I 7.88 3.56 1.83 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.34 0.82 0.00 0.00 63 T 8.20 3.94 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 1.27 0.00 0.00 64 D 8.32 4.38 0.00 2.68 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 65 L 7.89 3.81 0.00 2.00 1.73 0.85 0.68 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 66 T 8.15 4.05 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 1.30 0.00 0.00 67 V 7.89 3.60 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 1.12 0.00 0.00 1.02 0.00 0.00 68 N 7.81 4.23 0.00 2.61 2.62 0.00 0.00 7.11 8.46 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 69 F 8.01 4.50 0.00 3.29 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 70 L 8.15 4.52 0.00 1.90 1.76 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.10 4.03 0.00 1.81 1.75 0.92 1.01 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 72 A 7.71 4.37 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 73 Q 8.12 3.73 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 74 N 8.22 5.26 0.00 2.87 2.68 0.00 0.00 7.08 8.78 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 75 D 9.07 4.86 0.00 2.73 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 76 V 8.83 4.76 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 0.93 0.00 0.00 1.17 0.00 0.00 77 V 9.21 4.91 2.24 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 0.92 0.00 0.00 0.97 0.00 0.00 78 L 9.10 5.07 0.00 1.84 1.61 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.67 5.37 0.00 3.01 2.63 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 80 Y 8.06 5.00 0.00 2.85 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 81 I 7.16 4.25 1.44 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 1.05 0.83 0.58 0.00 0.00 82 A 8.92 4.52 1.49 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 0.00 0.00 83 F 8.43 5.13 0.00 3.31 2.98 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 84 P 0.00 4.03 0.00 2.23 2.20 0.00 3.89 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 85 D 8.14 4.30 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.91 3.42 0.00 1.66 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 1.51 1.69 0.00 87 A 7.79 3.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 3.95 0.00 2.14 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 2.29 2.37 0.00 89 A 7.88 3.92 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 90 L 7.96 3.92 0.00 1.84 1.82 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.13 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.99 3.96 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 93 T 7.82 4.03 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 94 V 7.88 3.65 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 0.92 0.00 0.00 1.04 0.00 0.00 95 Q 8.25 4.09 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 96 A 7.71 4.31 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 97 K 7.84 4.48 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.48 7.81 98 V 8.40 4.48 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 0.82 0.00 0.00 0.99 0.00 0.00 99 D 8.55 4.83 0.00 2.71 2.57 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 0.00 100 D 8.49 4.28 0.00 2.82 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 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3.37 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.32 4.58 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 1.14 0.00 0.00 111 N 7.44 4.45 0.00 2.73 2.59 0.00 0.00 6.92 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 0.00 112 R 8.75 3.82 0.00 1.80 1.96 0.00 3.32 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 113 E 8.19 4.11 0.00 2.23 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 2.39 2.39 0.00 114 E 8.13 3.91 0.00 2.13 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 2.51 2.45 0.00 115 L 7.85 3.95 0.00 1.61 1.63 0.66 0.32 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 0.00 116 L 7.41 3.75 0.00 1.59 1.89 0.90 1.13 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 0.00 117 R 7.67 4.28 0.00 1.83 1.92 0.00 3.35 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 9.42 3.87 0.00 1.96 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 2.39 2.32 0.00 131 R 7.97 4.17 0.00 1.77 1.90 0.00 3.32 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.40 0.00 132 C 8.08 4.32 0.00 3.06 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 0.00 133 L 7.99 4.39 0.00 1.80 1.69 0.91 1.12 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 0.00 134 E 7.95 4.09 0.00 2.01 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 2.27 2.33 0.00 135 L 7.89 4.25 0.00 1.76 1.92 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.72 3.75 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 1.03 0.00 0.00 0.75 0.00 0.00 137 E 8.37 4.23 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 138 E 7.85 3.88 0.00 2.35 1.77 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 2.19 2.46 0.00 139 F 8.10 4.58 0.00 3.80 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 0.00 140 E 8.55 4.26 0.00 2.30 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 2.56 3.14 0.00 141 S 8.05 4.27 0.00 4.04 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 0.00 142 K 7.96 4.18 0.00 2.12 1.99 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.39 1.07 7.81 143 G 7.94 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.58 4.41 2.55 0.00 0.00 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 1.67 0.95 1.49 0.00 0.00 145 D 8.96 4.49 0.00 2.78 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 0.00 0.00 0.00 146 E 8.61 4.13 0.00 1.97 1.82 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 2.21 2.16 0.00 147 R 7.77 4.00 0.00 1.75 1.80 0.00 3.00 0.00 0.00 2.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.44 0.00 148 Y 7.53 4.94 0.00 3.33 2.89 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 0.00 149 F 7.95 4.71 0.00 2.93 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.30 5.11 0.00 2.96 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 0.00 151 N 9.10 5.09 0.00 2.96 2.86 0.00 0.00 7.07 7.70 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 0.00 152 T 8.99 4.51 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 0.49 0.00 0.00 153 S 8.69 4.14 0.00 3.91 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 0.00 154 H 8.02 4.75 0.00 3.20 3.35 0.00 5.69 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 0.00 155 L 7.16 4.49 0.00 1.60 1.58 0.97 0.83 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 0.00 156 Q 8.08 4.72 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 157 P 0.00 4.21 0.00 2.19 2.28 0.00 3.67 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 2.05 1.93 0.00 158 T 7.85 4.16 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 1.21 0.00 0.00 159 N 8.18 4.98 0.00 2.94 2.76 0.00 0.00 6.56 6.25 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 0.00 160 L 7.94 3.90 0.00 1.90 1.66 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 161 N 8.11 4.40 0.00 2.79 2.84 0.00 0.00 7.13 8.08 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 0.00 162 D 8.15 4.36 0.00 2.89 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 0.00 163 I 7.78 3.88 2.06 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 1.70 0.71 0.98 0.00 0.00 164 V 7.82 3.69 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 0.84 0.00 0.00 0.98 0.00 0.00 165 K 7.78 4.00 0.00 2.17 1.88 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 166 N 8.43 4.22 0.00 2.93 3.04 0.00 0.00 6.91 7.19 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 0.00 167 L 7.80 3.97 0.00 1.47 1.43 0.73 0.85 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 0.00 168 K 7.58 4.36 0.00 2.05 2.06 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.46 7.81 169 T 7.37 4.55 4.29 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 1.27 0.00 0.00 170 N 9.15 4.29 0.00 3.13 2.98 0.00 0.00 6.79 7.59 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 0.00 171 P 0.00 4.15 0.00 2.25 2.30 0.00 3.72 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 2.01 1.93 0.00 172 R 7.83 3.68 0.00 1.58 1.79 0.00 2.73 0.00 0.00 2.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 173 F 7.38 4.97 0.00 3.25 3.38 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 0.00 174 I 7.93 3.79 2.08 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 1.29 0.83 1.02 0.00 0.00 175 F 9.18 4.46 0.00 3.22 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 0.00 176 C 8.15 4.13 0.00 3.11 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.