NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 T 4.3564 8.1744 115.2505 62.2822 68.5405 172.7195 16 T 4.5780 8.1776 120.7954 59.9014 70.6074 171.2622 17 T 4.5734 8.1398 120.6164 60.4420 71.3465 172.6021 18 S 4.3307 7.7959 121.0960 57.0105 65.8508 173.2555 19 S 4.1551 8.0875 113.7287 58.4994 62.5480 175.9386 20 S 4.4777 8.4213 119.5119 58.9823 61.1836 175.0331 21 T 4.5096 7.0856 108.7934 62.5522 71.8699 176.7715 22 P 5.2106 0.0000 0.0000 60.4314 30.9344 177.6354 23 Y 4.0616 8.5730 126.1206 58.4802 34.8753 169.4307 24 G 4.0214 8.1641 107.5982 45.2097 0.0000 173.9646 25 L 4.4296 7.7086 119.8693 53.6926 43.5042 175.7591 26 T 4.4546 8.5620 113.3662 61.4733 71.2379 176.6988 27 K 4.1054 8.4551 125.9584 59.9526 31.8749 178.9273 28 D 4.6477 8.2371 119.8336 57.4940 40.8147 178.7924 29 E 4.2038 8.2961 118.5823 59.6343 29.6702 179.2568 30 F 4.2765 8.4033 120.6306 61.2501 39.1874 176.9050 31 S 4.0244 8.0228 111.9528 61.8888 62.3090 175.9737 32 T 3.9955 7.6813 113.6759 64.7973 67.2815 175.6816 33 L 4.1729 8.0632 119.8990 56.0607 41.3285 178.1244 34 D 3.9196 7.4939 118.6526 57.4764 40.9149 178.7005 35 S 4.1222 7.9347 117.2011 62.3853 63.0155 177.0286 36 I 3.7890 7.7227 122.1846 65.2765 35.0603 180.0712 37 I 4.0781 7.6425 123.3603 65.0689 36.7903 179.3987 38 R 3.9750 7.3904 119.2135 61.4940 29.2704 180.6666 39 T 4.1467 7.7284 115.3573 66.4073 68.7048 175.4617 40 H 4.6234 8.1584 114.9791 56.0997 30.7953 175.0086 41 H 4.6007 7.9825 116.0737 56.3267 29.8450 175.8572 42 T 4.0818 7.6472 112.6171 60.5785 68.4720 178.8163 43 F 4.9261 8.4437 125.2828 53.0190 41.6772 177.6050 44 P 4.8734 0.0000 0.0000 62.4668 32.4950 179.7811 *46 S 4.0169 8.8170 123.0715 58.5245 63.2186 169.8363 47 P 3.9370 0.0000 0.0000 65.9061 31.8531 176.4443 48 N 4.9440 7.7697 116.0300 51.7344 37.1746 173.6382 49 T 5.2560 7.6348 114.8736 61.7809 72.8625 174.9352 50 C 4.9786 9.0072 118.2924 56.8775 33.2892 172.7344 51 T 4.9459 8.1342 113.7589 59.7352 70.7754 172.4463 52 S 4.5054 7.2490 117.3122 57.0257 65.9578 172.6221 53 L 5.1340 8.5181 126.7898 53.2763 44.3690 175.2697 54 I 4.6867 9.0764 127.0476 59.4620 39.8912 174.4047 55 A 5.2384 8.6798 128.0122 50.6354 21.8360 175.6987 56 H 4.5528 9.1320 121.1479 54.7262 33.0598 172.6079 57 R 4.3851 8.4778 127.5596 56.3347 30.8295 175.6390 58 V 4.3294 9.1538 126.3433 60.2976 34.4201 175.7088 59 D 5.0335 8.4302 129.9515 52.9014 40.1413 174.1919 60 A 4.7294 7.3250 122.8638 50.0099 23.2269 174.2544 61 P 4.3860 0.0000 0.0000 62.4112 32.2645 177.5062 62 A 4.1768 8.6974 121.9975 55.5122 18.1453 179.8144 63 H 4.2472 8.2044 113.0156 59.0864 28.3803 177.5047 64 A 3.9998 7.0158 121.2813 54.6374 18.4446 179.5266 65 I 4.0954 7.6641 119.0834 63.8534 37.5301 178.1931 66 W 4.5493 8.8411 129.3912 60.3567 30.1035 177.7364 67 R 3.5609 7.9192 118.3692 59.3402 29.5332 177.9674 68 F 4.4035 7.9135 117.0544 60.0096 38.9516 178.2208 69 V 3.6955 7.5918 116.8464 65.9618 31.5078 177.8965 70 R 3.5756 6.9894 114.3771 57.7657 30.6246 177.3171 71 D 4.6210 7.3483 120.9345 53.3789 38.7998 175.9099 72 F 4.0971 8.2409 124.1664 60.7192 39.9634 176.0213 73 A 4.0597 7.9466 121.5301 53.8643 19.1124 176.9283 74 N 5.1461 8.1705 113.4064 50.9978 39.1262 173.4921 75 P 4.1634 0.0000 0.0000 65.3434 32.1890 179.1702 76 N 4.3013 7.9671 115.0943 54.7287 37.3411 175.9155 77 K 4.1103 7.7879 118.8351 59.0810 32.2230 177.2594 78 Y 4.6338 7.5469 112.4896 56.4324 39.7164 175.9213 79 K 3.9048 7.4437 120.2642 56.1150 32.8318 176.8700 80 H 4.1097 8.7084 120.6576 59.0262 28.8834 177.5347 81 F 4.7660 7.9934 116.5945 57.5477 40.1371 175.0901 82 I 4.4667 7.6495 120.6621 60.1629 37.1573 175.9187 83 K 4.2379 9.3590 130.6177 59.2053 32.5752 176.8258 84 S 4.6236 7.6333 111.7979 57.8032 66.3257 173.2984 85 C 5.0883 8.4369 120.6979 58.2835 33.9259 172.8651 86 T 4.6829 8.4418 116.1673 59.8227 71.5756 173.2933 87 I 4.2411 8.1848 124.6033 61.3598 37.5248 175.8614 88 R 4.3247 9.4413 127.9868 58.4053 30.6433 177.3788 89 V 4.4580 7.5635 117.4030 60.2126 34.6875 175.1254 90 N 5.1247 8.6493 124.3506 53.1968 41.9339 174.9435 *96 E 4.4674 8.1046 116.4918 56.4986 31.1580 175.1602 97 I 4.0441 8.7760 122.5996 62.9355 37.4131 175.6472 98 K 4.6320 8.9133 125.8872 52.1884 35.8819 172.2086 99 V 3.6070 8.3156 117.4608 65.7930 31.3519 175.9908 100 G 4.1192 8.7464 115.2585 45.6185 0.0000 174.1160 101 T 4.3423 8.2395 117.8263 64.1214 69.7343 173.1917 102 I 5.1691 8.8828 126.9450 59.5961 39.6764 174.9919 103 R 5.0313 9.2092 123.7106 54.2755 33.0811 174.6945 104 E 4.9047 8.9396 121.4131 54.7998 32.1105 174.7160 105 V 4.6812 8.9363 121.5428 59.7242 34.3494 175.0113 106 S 5.0386 8.9141 120.4787 56.8391 64.1085 173.0543 107 V 4.9669 8.8956 120.9596 59.7454 34.4966 175.2713 108 V 4.5809 8.5660 117.8150 60.6410 33.0157 176.2245 109 S 4.3778 7.9234 117.8593 57.4670 65.3229 173.1962 110 G 3.7688 9.1029 110.4550 49.9034 0.0000 174.6789 111 L 4.3285 7.5710 119.4630 52.1376 41.9374 175.9870 112 P 4.4519 0.0000 0.0000 63.5676 31.7041 176.4534 113 A 4.3318 8.5382 122.2222 53.1522 18.6060 177.1090 114 S 4.8356 9.1007 116.9079 56.8278 66.7260 173.0914 115 T 5.0025 8.2663 117.2577 62.0367 71.1366 173.3156 116 S 5.0119 9.4152 120.9070 56.3958 65.4048 172.7244 117 V 4.8659 8.7371 127.4554 60.3812 33.3924 174.8683 118 E 5.4338 9.3579 123.4519 54.6874 34.4277 174.0892 119 I 5.1790 8.8516 122.7714 59.0855 41.5769 174.0635 120 L 4.1666 8.6454 130.8791 54.9799 42.3575 176.7159 121 E 4.5116 9.0888 125.3735 57.1066 32.1863 176.9047 122 V 4.3853 7.5865 118.5684 61.1194 35.1926 173.9125 123 L 5.0707 8.7471 129.0908 53.4875 44.0871 174.7045 124 D 4.8204 9.4058 127.5877 52.3530 42.1369 176.5451 125 E 4.1779 8.9461 126.7127 59.0823 30.0005 178.8866 126 E 4.0129 8.2246 118.2385 59.1845 29.8136 178.6079 127 K 3.7101 8.3030 115.2199 56.6575 32.8313 177.2611 128 R 2.0000 6.6945 117.2882 56.4246 27.6662 174.7577 129 I 5.0970 7.6773 118.1051 59.2674 41.6580 175.4877 130 L 5.5699 9.4685 128.6505 53.5667 45.5702 175.2599 131 S 5.4899 9.3520 120.6904 57.1007 67.5662 172.9025 132 F 5.4225 9.0738 117.0986 55.8124 42.2039 172.9231 133 R 5.0086 9.1101 118.4520 54.6093 33.5794 174.0300 134 V 4.5468 9.1862 127.1255 62.4594 31.2272 175.8228 135 L 4.2593 8.9149 129.7451 57.1342 42.1362 177.5149 136 G 4.0009 7.3210 104.5720 45.2847 0.0000 172.1271 137 G 4.0396 7.3518 107.4684 45.2735 0.0000 173.9405 138 E 4.1886 8.7388 118.7875 56.7855 29.5389 176.9530 139 H 4.6340 7.0143 117.9820 55.4525 30.3121 175.8496 140 R 4.4263 8.4055 115.4075 56.0495 29.4383 172.9966 141 L 4.5739 7.6310 119.0250 54.3604 41.2854 175.7818 142 N 4.7471 8.3453 120.9559 53.1871 39.7747 175.0225 143 N 4.4213 8.9094 115.0852 54.1815 36.6597 173.8967 144 Y 4.2547 8.0553 119.0461 58.1313 39.9795 174.6574 145 R 4.7982 8.6032 126.7262 54.4327 33.7064 173.7379 146 S 4.9547 8.6545 120.1615 56.3818 66.3108 172.6269 147 V 5.0086 8.8806 125.0581 60.3836 34.6065 174.1902 148 T 5.4859 9.6688 124.1504 61.9543 72.5080 172.9568 149 S 5.0257 9.4502 119.5986 56.6744 66.0679 172.4696 150 V 4.7255 8.7320 127.6606 61.3401 32.9739 174.5115 151 N 5.0760 8.9876 127.2143 52.1320 42.1527 174.0603 152 E 5.1832 8.6638 120.4925 55.2561 32.1071 173.2148 153 F 4.6616 9.4139 120.2323 55.3511 43.2854 174.7702 *155 V 3.9870 8.4123 122.9113 62.1959 32.3042 175.4827 156 L 4.6412 8.1127 124.5647 52.8879 44.9525 173.5186 *161 K 4.1473 8.5010 122.2411 55.1162 33.1159 178.9355 162 K 4.3424 8.6286 128.4505 54.4751 29.0624 172.8783 163 R 4.0617 7.9979 119.5062 56.3080 29.2969 176.8134 164 V 4.5997 7.9886 123.3502 60.5766 34.3180 174.1012 165 Y 5.2750 8.3642 121.3229 57.3087 41.4461 173.0060 166 S 5.4755 9.3724 112.3339 57.3749 67.2853 173.0866 167 V 4.7107 9.3065 121.4340 61.2506 33.7458 174.5064 168 V 4.5059 8.9839 129.4874 62.2257 32.7664 174.4053 169 L 5.1242 9.0715 128.8097 53.0527 44.3197 175.3059 170 E 5.2825 9.5415 124.6279 54.7133 32.5237 174.2646 171 S 5.4684 9.2023 121.7009 56.9613 66.7073 172.4831 172 Y 4.7215 8.1595 117.6807 55.6606 41.7723 173.3852 173 I 4.6997 7.4152 120.2029 59.3263 41.6106 174.4164 174 V 4.9811 8.4129 125.7268 60.6292 35.0402 172.3989 175 D 5.2343 8.3282 121.7731 52.0704 41.0544 176.2524 176 I 3.9528 8.5135 123.6049 60.6563 37.4379 174.6856 177 P 4.3953 0.0000 0.0000 62.7151 32.0055 176.5661 178 Q 4.0997 8.3770 119.1123 56.3420 28.4658 178.3495 179 G 4.0072 8.8121 108.9854 45.2321 0.0000 173.0435 180 N 4.9735 7.6288 116.7045 51.6796 41.0203 175.0080 181 T 4.5322 7.9347 111.0832 60.2850 72.1593 175.4622 182 E 3.9982 8.7749 125.3156 60.1991 29.6882 179.5990 183 E 4.0059 8.1804 117.6349 61.5396 29.9825 180.6073 184 D 4.7390 7.9832 119.7101 57.2954 40.8040 179.2133 185 T 4.0272 8.1957 116.4864 66.7485 68.5405 177.1561 186 R 4.2481 8.5531 121.8232 58.8948 30.0138 178.7636 187 M 4.1109 8.6853 118.5861 58.4886 32.2132 178.0953 188 F 4.2181 8.1811 120.3230 61.3828 39.6135 177.4061 189 V 3.0390 7.8503 117.7289 65.8482 31.3477 177.3339 190 D 4.6101 8.2151 118.7588 58.1886 40.7029 179.4976 191 T 3.9010 7.7059 115.3445 66.4333 68.3987 176.8562 192 V 3.5026 7.4355 120.1350 65.9832 31.5411 178.0358 193 V 3.5989 7.9675 118.1072 65.9677 31.4217 177.6199 194 K 3.9184 8.6011 119.7525 59.8416 32.0336 178.8477 195 S 4.4021 8.3546 114.3171 61.4084 62.8988 176.0556 196 N 4.3223 8.6952 120.6838 56.2617 38.2219 177.3001 197 L 4.1262 8.1188 120.2879 57.4540 41.6781 179.4906 198 Q 3.9050 8.0296 118.3359 59.0495 28.6932 178.4048 199 N 4.3014 8.1955 118.0363 56.3524 38.8399 176.6422 200 L 3.7905 8.3513 122.1459 57.9199 42.0075 178.8200 201 A 3.9657 8.3392 121.0900 55.1829 17.9726 179.6893 202 V 3.5204 7.7819 116.6686 66.4007 31.3743 178.3764 203 I 3.6432 7.5107 118.1688 64.2160 36.7730 178.2804 204 S 4.4729 8.3931 115.8484 60.6902 62.4897 175.5553 205 T 4.3112 7.3286 113.9743 62.3942 67.8508 173.9818 206 A 4.1906 7.5634 127.4152 52.5207 18.5225 176.9147 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 15 T 8.17 4.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 16 T 8.18 4.58 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 17 T 8.14 4.57 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 1.20 0.00 0.00 18 S 7.80 4.33 0.00 3.55 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 19 S 8.09 4.16 0.00 3.77 3.62 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 20 S 8.42 4.48 0.00 3.83 3.82 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 21 T 7.09 4.51 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 1.16 0.00 0.00 22 P 0.00 5.21 0.00 1.95 1.30 0.00 3.56 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 23 Y 8.57 4.06 0.00 3.05 3.39 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 24 G 8.16 4.02 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 0.00 0.00 0.00 25 L 7.71 4.43 0.00 1.87 1.70 1.14 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.56 4.45 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 27 K 8.46 4.11 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.10 7.81 28 D 8.24 4.65 0.00 2.75 2.86 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 29 E 8.30 4.20 0.00 2.22 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 0.00 1.60 2.21 0.00 30 F 8.40 4.28 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.02 4.02 0.00 4.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.68 4.00 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 1.55 0.00 0.00 33 L 8.06 4.17 0.00 2.08 1.64 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.49 3.92 0.00 2.70 2.55 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 35 S 7.93 4.12 0.00 3.84 3.84 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 36 I 7.72 3.79 1.87 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 1.64 0.72 0.91 0.00 0.00 37 I 7.64 4.08 1.82 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 1.29 0.42 0.89 0.00 0.00 38 R 7.39 3.98 0.00 1.95 1.85 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 39 T 7.73 4.15 4.14 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 0.00 0.00 0.00 0.98 0.00 0.00 40 H 8.16 4.62 0.00 3.02 3.15 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.98 4.60 0.00 3.28 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.65 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 43 F 8.44 4.93 0.00 2.87 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 44 P 0.00 4.87 0.00 2.00 1.19 0.00 3.98 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 *46 S 8.82 4.02 0.00 3.79 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 47 P 0.00 3.94 0.00 2.18 2.12 0.00 3.75 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 2.01 2.04 0.00 48 N 7.77 4.94 0.00 2.74 2.81 0.00 0.00 6.65 7.05 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 49 T 7.63 5.26 4.45 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 1.20 0.00 0.00 50 C 9.01 4.98 0.00 2.98 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 51 T 8.13 4.95 4.10 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 0.00 0.00 1.23 0.00 0.00 52 S 7.25 4.51 0.00 3.64 2.82 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 53 L 8.52 5.13 0.00 1.58 1.33 -0.01 0.78 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 54 I 9.08 4.69 1.97 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 1.41 0.95 1.00 0.00 0.00 55 A 8.68 5.24 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 56 H 9.13 4.55 0.00 3.20 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.48 4.39 0.00 1.66 1.58 0.00 2.79 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.15 0.00 58 V 9.15 4.33 2.15 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 0.93 0.00 0.00 1.09 0.00 0.00 59 D 8.43 5.03 0.00 2.67 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 60 A 7.33 4.73 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 61 P 0.00 4.39 0.00 1.98 2.21 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 62 A 8.70 4.18 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 63 H 8.20 4.25 0.00 3.43 3.64 0.00 5.47 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 64 A 7.02 4.00 1.41 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 0.00 0.00 65 I 7.66 4.10 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.98 0.00 0.00 66 W 8.84 4.55 0.00 3.36 3.30 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 67 R 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0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 76 N 7.97 4.30 0.00 2.78 2.92 0.00 0.00 6.03 7.13 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 77 K 7.79 4.11 0.00 2.10 2.16 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.81 1.60 7.81 78 Y 7.55 4.63 0.00 2.87 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 79 K 7.44 3.90 0.00 1.52 1.56 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 0.34 7.81 80 H 8.71 4.11 0.00 2.93 2.22 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.99 4.77 0.00 2.94 3.23 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 0.00 82 I 7.65 4.47 1.78 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 1.13 0.65 0.82 0.00 0.00 83 K 9.36 4.24 0.00 1.71 1.93 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 84 S 7.63 4.62 0.00 3.85 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 85 C 8.44 5.09 0.00 2.80 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 86 T 8.44 4.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 87 I 8.18 4.24 1.88 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 1.32 0.84 0.99 0.00 0.00 88 R 9.44 4.32 0.00 1.82 1.99 0.00 3.41 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 89 V 7.56 4.46 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 0.81 0.00 0.00 0.96 0.00 0.00 90 N 8.65 5.12 0.00 2.73 2.86 0.00 0.00 6.88 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 *96 E 8.10 4.47 0.00 2.01 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 2.13 1.91 0.00 97 I 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0.00 2.28 2.29 0.00 122 V 7.59 4.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.94 0.00 0.00 123 L 8.75 5.07 0.00 1.64 1.58 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.41 4.82 0.00 2.70 2.42 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 0.00 125 E 8.95 4.18 0.00 2.07 2.15 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 2.53 2.41 0.00 126 E 8.22 4.01 0.00 1.93 1.89 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 2.34 2.28 0.00 127 K 8.30 3.71 0.00 1.58 1.63 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.46 7.81 128 R 6.69 2.00 0.00 1.68 0.95 0.00 2.86 0.00 0.00 2.94 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.26 0.00 129 I 7.68 5.10 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.49 0.94 0.00 0.00 130 L 9.47 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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 2.29 2.40 0.00 139 H 7.01 4.63 0.00 3.01 3.34 0.00 5.73 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 0.00 140 R 8.41 4.43 0.00 1.84 1.83 0.00 3.24 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 141 L 7.63 4.57 0.00 1.53 1.70 1.07 1.12 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 0.00 142 N 8.35 4.75 0.00 3.04 2.77 0.00 0.00 7.10 6.92 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 0.00 143 N 8.91 4.42 0.00 2.99 2.89 0.00 0.00 6.89 7.46 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 0.00 144 Y 8.06 4.25 0.00 3.05 2.85 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 0.00 145 R 8.60 4.80 0.00 1.69 1.46 0.00 3.15 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 146 S 8.65 4.95 0.00 3.53 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 0.00 147 V 8.88 5.01 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 1.04 0.00 0.00 0.98 0.00 0.00 148 T 9.67 5.49 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 149 S 9.45 5.03 0.00 3.83 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 0.00 150 V 8.73 4.73 2.15 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 1.02 0.00 0.00 1.21 0.00 0.00 151 N 8.99 5.08 0.00 2.73 2.58 0.00 0.00 6.59 8.96 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 0.00 152 E 8.66 5.18 0.00 1.74 1.72 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 2.15 1.89 0.00 153 F 9.41 4.66 0.00 2.49 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 *155 V 8.41 3.99 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 0.92 0.00 0.00 156 L 8.11 4.64 0.00 1.62 1.40 0.92 0.75 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 *161 K 8.50 4.15 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 162 K 8.63 4.34 0.00 1.77 1.68 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.01 7.81 163 R 8.00 4.06 0.00 1.82 1.81 0.00 3.18 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 164 V 7.99 4.60 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 1.07 0.00 0.00 1.03 0.00 0.00 165 Y 8.36 5.27 0.00 3.17 3.07 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 0.00 166 S 9.37 5.48 0.00 4.04 4.13 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 0.00 0.00 0.00 167 V 9.31 4.71 2.41 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 1.01 0.00 0.00 0.82 0.00 0.00 168 V 8.98 4.51 2.27 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 1.08 0.00 0.00 1.02 0.00 0.00 169 L 9.07 5.12 0.00 1.58 1.29 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 170 E 9.54 5.28 0.00 2.11 1.89 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 2.41 2.44 0.00 171 S 9.20 5.47 0.00 4.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.16 4.72 0.00 2.45 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.42 4.70 0.57 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 1.12 1.06 0.48 0.00 0.00 174 V 8.41 4.98 2.23 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 0.81 0.00 0.00 1.13 0.00 0.00 175 D 8.33 5.23 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.95 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 1.27 0.65 0.93 0.00 0.00 177 P 0.00 4.40 0.00 2.16 1.96 0.00 3.62 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 178 Q 8.38 4.10 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 179 G 8.81 4.01 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 0.00 0.00 0.00 180 N 7.63 4.97 0.00 2.84 2.72 0.00 0.00 6.87 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 0.00 181 T 7.93 4.53 4.25 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 1.22 0.00 0.00 182 E 8.77 4.00 0.00 2.08 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 2.42 0.00 183 E 8.18 4.01 0.00 2.01 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 2.32 1.98 0.00 184 D 7.98 4.74 0.00 2.78 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 0.00 185 T 8.20 4.03 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 1.31 0.00 0.00 186 R 8.55 4.25 0.00 2.12 2.08 0.00 3.16 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 187 M 8.69 4.11 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 188 F 8.18 4.22 0.00 3.14 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 0.00 189 V 7.85 3.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.92 0.00 0.00 190 D 8.22 4.61 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 T 7.71 3.90 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 1.24 0.00 0.00 192 V 7.44 3.50 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.25 0.00 0.00 193 V 7.97 3.60 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 1.14 0.00 0.00 1.12 0.00 0.00 194 K 8.60 3.92 0.00 2.05 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.66 7.81 195 S 8.35 4.40 0.00 4.14 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 N 8.70 4.32 0.00 3.00 3.00 0.00 0.00 6.94 6.42 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 0.00 197 L 8.12 4.13 0.00 1.73 1.62 1.02 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 0.00 198 Q 8.03 3.90 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 199 N 8.20 4.30 0.00 2.80 2.97 0.00 0.00 6.90 6.69 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 0.00 200 L 8.35 3.79 0.00 1.90 1.72 0.29 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 201 A 8.34 3.97 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 0.00 202 V 7.78 3.52 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 0.99 0.00 0.00 0.95 0.00 0.00 203 I 7.51 3.64 1.39 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 1.59 0.70 -0.04 0.00 0.00 204 S 8.39 4.47 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 T 7.33 4.31 4.56 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 1.28 0.00 0.00 206 A 7.56 4.19 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 * Residues marked with a * may have inaccurate shift predictions.