NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 R 4.2926 8.0976 120.8525 56.5072 32.0281 177.3457 16 Y 4.1469 8.1995 116.5308 59.4708 37.4911 176.6595 17 K 3.7578 8.0526 121.4825 58.9443 32.6990 180.2512 18 T 3.8750 7.6698 116.4113 66.8198 68.4837 176.7390 19 K 4.1887 8.0242 119.2408 58.9233 31.9383 179.1697 20 L 4.4217 7.6755 118.8699 57.5516 41.5042 178.6494 21 Y 4.1373 7.7563 119.0293 60.4588 38.4806 177.6997 22 L 3.8972 7.7292 118.9359 56.8749 41.6591 179.0182 23 W 4.3300 7.5387 118.5224 59.4857 28.9508 177.7897 24 R 4.0544 7.6226 117.3105 59.0396 29.5213 177.6300 25 N 4.8787 7.5966 111.3537 52.5719 39.1030 174.2777 26 L 3.9945 7.8234 121.1173 54.7657 42.6258 177.1510 27 G 3.8365 8.5255 114.9200 45.8077 0.0000 172.9153 28 G 4.0573 7.7910 106.9815 44.8439 0.0000 173.1318 29 L 4.1075 8.4820 118.9479 54.9265 42.1329 176.6043 30 I 4.3503 7.9844 122.4804 58.7873 38.5191 174.1699 31 P 4.2587 0.0000 0.0000 62.7768 31.9705 175.7004 32 E 4.0884 9.1475 124.3907 59.5000 29.8281 179.7471 33 D 4.4586 8.0888 115.4235 53.7926 39.2125 177.8084 *35 A 4.2877 8.1452 124.4163 53.1421 20.5481 179.9992 36 I 3.8508 8.0942 118.3358 63.8727 36.8824 178.4757 37 S 4.0866 8.1708 114.1805 61.3369 61.9970 176.5315 38 V 3.5899 7.6137 120.5765 66.2975 30.9447 178.0440 39 T 3.9482 7.8350 109.1628 64.8449 68.6047 176.3986 40 E 4.0507 8.6705 122.0778 59.0710 29.4237 179.4398 41 S 4.1412 7.9648 114.4855 61.1606 63.1786 176.6367 42 I 3.7160 7.5400 123.4568 64.5420 37.0548 178.1237 43 T 3.6224 8.0620 116.3610 66.8792 68.3570 176.2965 44 A 3.8050 7.9802 122.1961 55.0687 18.3057 179.4887 45 D 4.3020 7.9812 117.6286 57.3659 40.9175 179.0196 46 W 4.4005 7.9623 116.9605 59.1224 28.1808 178.7343 47 K 3.7718 7.1419 119.3476 59.2959 31.2106 179.0790 48 Q 3.9157 7.7932 118.7683 59.0309 28.9910 177.3173 49 Y 4.1163 7.8285 119.8165 60.9187 39.0108 177.5347 50 N 4.6142 8.5891 116.2550 55.8672 40.3022 176.8496 51 D 4.9061 8.3966 122.8756 53.8025 36.5863 176.6798 *54 S 4.3868 7.7435 117.0192 58.2032 65.8287 177.3714 55 K 3.9846 8.0866 120.4850 59.2026 31.9070 179.3031 56 V 3.5128 7.7004 117.8773 65.9928 31.3775 177.8292 57 R 3.8516 7.8245 117.6540 59.6810 30.2251 178.1231 58 N 4.3674 8.4848 116.6720 56.3854 38.5237 177.3871 59 E 4.0299 8.4605 120.1955 59.3926 29.4523 179.5554 60 T 3.8181 7.7908 115.4862 66.6352 68.5486 176.5060 61 L 3.9112 7.9761 120.8856 58.0882 41.5892 179.5558 62 D 4.3169 7.9749 118.0400 57.4039 40.8070 178.6474 63 I 3.6206 7.6616 120.2694 64.5112 37.0930 178.5110 64 L 3.6459 7.8976 119.6834 57.3267 41.3804 179.2652 65 K 3.8850 8.0822 119.5967 60.0608 31.9285 178.6466 66 T 3.8811 7.7278 114.3626 66.6264 68.4833 175.3181 67 N 4.6333 7.8626 114.7493 51.8321 39.1362 175.0374 68 K 3.8430 7.8324 118.7610 57.1130 30.4195 175.8914 69 V 3.7030 7.5901 117.1742 62.4065 32.3971 175.4336 70 A 4.2813 8.6313 129.8635 52.2415 19.0082 178.6708 71 T 3.6818 8.5514 112.2043 64.7370 68.5436 176.7589 72 E 4.0775 8.2678 120.1102 58.5543 29.9886 177.5973 73 D 4.8034 8.2805 117.5387 54.6460 41.2733 177.8185 74 Y 4.1173 8.0774 119.2070 61.2244 37.8731 178.2377 75 I 3.8168 8.0634 119.1371 63.9141 38.0681 177.9885 76 G 3.4212 7.9708 106.0297 48.1766 0.0000 175.2420 77 Y 4.1567 7.7145 119.4803 60.4111 37.8313 178.6713 78 I 3.7330 8.1900 120.8512 64.3372 37.2269 178.2533 79 A 4.0131 8.1971 121.7470 54.9931 18.0912 179.3646 80 F 3.0643 8.0755 118.8127 61.1234 39.3169 177.0766 81 A 3.7875 8.1143 120.2569 55.1986 18.0683 179.5217 82 E 3.8005 8.1447 116.8457 59.6096 29.6247 179.2453 83 E 3.9180 8.1979 119.4033 58.9575 29.5738 178.6436 84 L 3.7248 7.8377 120.5989 58.0209 42.1642 178.6628 85 A 3.9257 8.0836 121.0766 55.4426 18.2397 179.1288 86 H 4.1933 8.4598 116.7090 59.6943 30.0021 177.6193 87 Q 4.0759 8.1081 119.8345 58.8906 28.3882 179.0035 88 V 3.7601 8.0979 119.6038 65.5601 31.6511 177.7995 89 W 4.1311 8.3781 128.2000 60.5564 30.4651 178.0585 90 K 3.5939 8.3163 118.3167 59.3182 31.4822 179.1367 91 N 4.2285 8.2644 116.7322 56.1751 38.2971 177.0629 92 K 3.7184 7.8427 119.8577 59.8582 32.1886 178.0273 93 N 4.2785 7.2583 114.6443 56.2362 38.7407 177.4577 94 S 4.1844 7.9687 116.1910 60.1188 63.4507 175.2107 95 S 4.3343 7.3201 116.0679 57.1157 62.6865 172.5107 96 P 4.4056 0.0000 0.0000 64.8024 31.3022 176.3242 97 D 4.7156 7.7684 117.5661 50.3432 41.3579 173.3512 98 P 4.2464 0.0000 0.0000 65.1274 31.5105 177.1776 99 N 4.3432 8.2074 115.4021 57.0108 38.7571 176.9574 100 T 3.8962 7.8990 116.5234 66.5017 68.4968 176.7630 101 A 4.0920 7.9497 122.1373 54.8394 18.4226 179.3141 102 N 4.3880 8.1929 115.4903 56.6653 38.6406 177.4718 103 E 3.9471 7.9751 119.3419 59.1634 29.4812 179.2577 104 A 4.0539 7.9147 121.0839 55.0658 18.3868 179.8743 105 S 4.0941 8.4688 114.1069 61.5812 62.8893 176.3435 106 K 3.8843 8.2663 122.3530 60.1648 31.7979 178.4710 107 T 3.8578 7.9106 115.4368 66.7735 68.4736 175.9180 108 D 4.3565 8.2640 119.5893 57.6419 41.2355 178.4114 109 L 4.3996 8.5373 119.7863 57.7807 41.6754 179.3064 110 E 4.0717 8.9948 119.2300 59.3437 29.2724 179.4972 111 S 4.1181 8.2308 115.2775 61.4488 62.9213 176.5052 112 K 3.8663 8.0833 122.1147 60.0658 32.0064 178.4013 113 Y 4.3038 8.6840 117.1747 60.4556 37.9438 178.2511 114 S 4.3894 8.2421 115.6095 61.3710 63.2021 176.1678 115 D 4.2613 8.1215 121.8614 57.1280 40.7231 178.6660 116 V 3.5190 7.8320 117.4825 64.9520 31.6886 176.6773 117 Y 4.6771 7.5405 112.3632 56.4467 38.8514 175.7475 118 G 3.9544 7.8642 107.3332 46.3864 0.0000 174.2863 119 L 4.0862 7.6881 118.6805 53.8274 42.4955 176.8879 120 D 4.6278 8.8967 121.2356 53.7041 42.2625 177.8692 121 V 3.5823 8.4173 126.8448 66.0896 31.7389 178.0064 122 T 3.9259 8.1623 109.8649 64.6224 68.6284 176.8790 123 V 3.5000 7.6867 120.6345 65.6950 31.6330 177.8229 124 L 3.8015 8.0683 118.8208 57.7144 41.4268 179.1473 125 D 4.4346 8.5527 119.0702 57.2819 40.6427 178.5866 126 A 4.0051 7.8282 120.5869 55.4453 18.3406 179.5225 127 I 3.6815 7.7134 118.0969 64.8130 37.2047 177.8855 128 Y 4.0753 8.3478 120.0765 61.0567 38.4666 178.1847 129 N 4.4124 8.1648 115.2090 55.7538 38.9565 177.1171 130 A 4.1181 7.7786 122.5585 55.0707 18.7540 179.8598 131 V 3.5456 7.9485 117.0642 65.8614 31.2873 178.2324 132 I 3.4395 7.1238 118.8539 64.0420 37.0660 176.5056 133 P 4.3448 0.0000 0.0000 65.3117 31.2065 178.5121 134 I 3.8835 7.0608 117.4568 64.1265 37.0255 176.9472 135 I 4.1241 7.3010 118.3564 61.5906 37.0729 176.2249 *137 G 3.7158 8.0956 115.3905 45.9034 0.0000 173.4167 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 R 8.10 4.29 0.00 1.94 2.05 0.00 3.23 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 16 Y 8.20 4.15 0.00 3.29 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 17 K 8.05 3.76 0.00 1.50 1.67 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.04 0.21 7.81 18 T 7.67 3.87 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 1.21 0.00 0.00 19 K 8.02 4.19 0.00 1.84 1.84 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.54 7.81 20 L 7.68 4.42 0.00 1.93 1.92 1.13 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.76 4.14 0.00 3.23 3.03 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 22 L 7.73 3.90 0.00 1.52 1.51 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 W 7.54 4.33 0.00 3.39 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.62 4.05 0.00 1.52 1.89 0.00 3.24 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 25 N 7.60 4.88 0.00 2.56 2.75 0.00 0.00 6.84 7.85 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 26 L 7.82 3.99 0.00 1.72 1.60 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.53 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 0.00 0.00 0.00 28 G 7.79 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 29 L 8.48 4.11 0.00 1.66 1.63 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.98 4.35 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.92 0.00 0.00 31 P 0.00 4.26 0.00 2.04 2.02 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 32 E 9.15 4.09 0.00 2.00 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 2.39 2.32 0.00 33 D 8.09 4.46 0.00 2.94 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 *35 A 8.15 4.29 1.40 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 0.00 0.00 36 I 8.09 3.85 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.96 0.00 0.00 37 S 8.17 4.09 0.00 4.03 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 38 V 7.61 3.59 2.25 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 1.05 0.00 0.00 0.94 0.00 0.00 39 T 7.83 3.95 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 1.24 0.00 0.00 40 E 8.67 4.05 0.00 2.09 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 2.32 2.41 0.00 41 S 7.96 4.14 0.00 4.00 4.12 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 42 I 7.54 3.72 2.10 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 1.57 0.95 1.04 0.00 0.00 43 T 8.06 3.62 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 1.00 0.00 0.00 44 A 7.98 3.81 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.98 4.30 0.00 2.91 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 46 W 7.96 4.40 0.00 3.54 3.26 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 47 K 7.14 3.77 0.00 1.42 1.59 0.00 1.19 0.00 0.00 1.24 0.00 0.00 2.65 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.42 0.21 7.81 48 Q 7.79 3.92 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 49 Y 7.83 4.12 0.00 3.14 3.15 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 50 N 8.59 4.61 0.00 3.06 3.02 0.00 0.00 7.17 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.40 4.91 0.00 2.71 2.61 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 *54 S 7.74 4.39 0.00 4.02 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 0.00 55 K 8.09 3.98 0.00 1.80 1.86 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.54 7.81 56 V 7.70 3.51 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 0.97 0.00 0.00 0.85 0.00 0.00 57 R 7.82 3.85 0.00 1.94 2.02 0.00 3.32 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 58 N 8.48 4.37 0.00 2.76 2.85 0.00 0.00 7.13 7.20 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 59 E 8.46 4.03 0.00 2.06 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 0.00 2.31 2.46 0.00 60 T 7.79 3.82 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 61 L 7.98 3.91 0.00 1.87 1.80 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.97 4.32 0.00 2.88 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 63 I 7.66 3.62 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.78 0.00 0.00 64 L 7.90 3.65 0.00 1.41 1.09 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.08 3.88 0.00 1.94 1.99 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 66 T 7.73 3.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 67 N 7.86 4.63 0.00 2.62 2.74 0.00 0.00 7.19 7.62 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 68 K 7.83 3.84 0.00 1.90 1.88 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.35 7.81 69 V 7.59 3.70 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 0.81 0.00 0.00 0.60 0.00 0.00 70 A 8.63 4.28 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 71 T 8.55 3.68 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 1.00 0.00 0.00 72 E 8.27 4.08 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 2.48 0.00 73 D 8.28 4.80 0.00 3.11 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 74 Y 8.08 4.12 0.00 3.11 3.10 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 0.00 75 I 8.06 3.82 1.92 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 1.57 1.42 0.92 0.00 0.00 76 G 7.97 3.42 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 0.00 77 Y 7.71 4.16 0.00 2.95 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 78 I 8.19 3.73 1.93 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 1.78 1.26 0.94 0.00 0.00 79 A 8.20 4.01 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 80 F 8.08 3.06 0.00 2.01 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 81 A 8.11 3.79 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 82 E 8.14 3.80 0.00 2.20 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 0.00 2.27 2.37 0.00 83 E 8.20 3.92 0.00 2.18 1.90 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 2.37 2.39 0.00 84 L 7.84 3.72 0.00 1.08 1.39 1.03 0.94 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 85 A 8.08 3.93 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 86 H 8.46 4.19 0.00 3.27 3.35 0.00 5.59 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 87 Q 8.11 4.08 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 88 V 8.10 3.76 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 1.09 0.00 0.00 1.01 0.00 0.00 89 W 8.38 4.13 0.00 3.44 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.32 3.59 0.00 2.05 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.87 7.81 91 N 8.26 4.23 0.00 2.92 2.84 0.00 0.00 6.62 6.52 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 92 K 7.84 3.72 0.00 1.76 1.82 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.45 7.81 93 N 7.26 4.28 0.00 2.04 2.44 0.00 0.00 7.13 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 94 S 7.97 4.18 0.00 3.81 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 95 S 7.32 4.33 0.00 3.82 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 96 P 0.00 4.41 0.00 2.06 2.08 0.00 3.65 0.00 0.00 3.70 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 97 D 7.77 4.72 0.00 2.63 2.46 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 0.00 0.00 0.00 0.00 98 P 0.00 4.25 0.00 2.17 2.13 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.37 0.00 99 N 8.21 4.34 0.00 2.76 2.92 0.00 0.00 7.25 7.22 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 0.00 100 T 7.90 3.90 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 1.22 0.00 0.00 101 A 7.95 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.19 4.39 0.00 3.04 3.06 0.00 0.00 6.90 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 0.00 103 E 7.98 3.95 0.00 2.26 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 2.55 2.49 0.00 104 A 7.91 4.05 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 0.00 105 S 8.47 4.09 0.00 4.16 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 0.00 106 K 8.27 3.88 0.00 1.75 1.91 0.00 0.72 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.22 0.83 7.81 107 T 7.91 3.86 4.40 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 1.22 0.00 0.00 108 D 8.26 4.36 0.00 2.93 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 0.00 109 L 8.54 4.40 0.00 1.97 1.98 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.99 4.07 0.00 2.13 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 2.32 2.71 0.00 111 S 8.23 4.12 0.00 4.12 3.94 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 0.00 112 K 8.08 3.87 0.00 1.92 2.18 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.64 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.14 1.40 7.81 113 Y 8.68 4.30 0.00 3.26 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 0.00 114 S 8.24 4.39 0.00 4.07 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 0.00 115 D 8.12 4.26 0.00 2.68 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 0.00 116 V 7.83 3.52 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 -0.04 0.00 0.00 0.74 0.00 0.00 117 Y 7.54 4.68 0.00 3.11 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 0.00 118 G 7.86 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 0.00 119 L 7.69 4.09 0.00 1.77 1.41 0.62 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.90 4.63 0.00 2.81 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 0.00 121 V 8.42 3.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.92 0.00 0.00 122 T 8.16 3.93 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 0.00 123 V 7.69 3.50 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 0.46 0.00 0.00 0.84 0.00 0.00 124 L 8.07 3.80 0.00 1.67 1.05 0.59 0.01 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 0.00 125 D 8.55 4.43 0.00 2.85 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 0.00 126 A 7.83 4.01 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 0.00 127 I 7.71 3.68 2.30 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 1.44 0.76 1.10 0.00 0.00 128 Y 8.35 4.08 0.00 3.35 3.27 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 0.00 129 N 8.16 4.41 0.00 2.97 2.91 0.00 0.00 7.09 7.07 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 0.00 130 A 7.78 4.12 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 0.00 131 V 7.95 3.55 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 0.90 0.00 0.00 0.93 0.00 0.00 132 I 7.12 3.44 1.52 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.79 0.00 0.00 133 P 0.00 4.34 0.00 1.98 2.08 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 134 I 7.06 3.88 1.98 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 1.48 0.51 0.86 0.00 0.00 135 I 7.30 4.12 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 1.02 0.00 0.00 *137 G 8.10 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.