NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3614 8.0333 110.9399 61.1433 70.4004 174.6337 3 I 3.5106 8.1309 122.8168 63.8749 36.9579 177.1445 4 A 3.9095 8.7041 122.5345 55.0500 18.6326 179.0410 5 E 3.8317 7.9167 116.6833 59.5850 29.5110 179.6096 6 I 3.4516 7.6014 119.4717 64.3069 37.1750 178.3713 7 A 2.5800 7.8651 121.8502 54.3533 17.9732 179.6244 8 K 3.7119 8.1798 118.4798 59.5750 32.2788 178.5965 9 D 4.2779 8.0924 118.3554 57.2896 41.2023 177.7561 10 F 4.1228 8.0789 121.2676 61.6932 39.2073 177.2265 11 T 3.8541 7.9161 115.1169 66.7122 68.4070 176.3562 12 E 3.9354 8.2721 120.5339 59.5129 29.4784 179.5177 13 L 3.9859 8.0593 118.8177 57.8155 41.6225 179.5664 14 L 3.9642 7.7040 118.8381 57.8498 41.3443 179.8353 15 K 4.0673 8.1568 117.4736 59.2402 32.0664 178.6890 16 Q 4.3221 7.8807 115.7749 56.1987 28.8967 176.8649 17 G 3.8933 8.1376 108.5583 46.1598 0.0000 175.0621 18 D 4.6603 8.2030 121.2341 52.9888 37.6444 176.5448 19 N 4.2508 7.7633 121.4924 56.1281 39.1798 176.9120 20 A 4.1257 8.0135 121.8987 55.1885 18.4931 179.8180 21 G 3.5015 8.3877 104.0454 47.5941 0.0000 175.9672 22 A 4.0898 8.0057 122.7352 54.8965 18.3300 179.3191 23 A 4.1253 8.0536 119.3474 55.6976 18.2801 179.5918 24 E 3.8917 8.2861 116.4215 59.0904 29.7440 178.6665 25 K 3.9086 8.1697 119.1587 59.2241 32.5775 177.1092 26 Y 4.7096 8.2375 115.5892 58.4923 39.5197 175.8302 27 N 4.7561 8.3775 117.6985 53.0038 39.4539 174.8269 28 A 4.3068 8.7998 124.6310 51.8429 19.4705 178.2324 29 D 4.4549 8.9903 119.4733 56.1554 42.1624 177.4336 30 D 5.1898 7.8091 116.8565 52.6195 40.3225 176.6427 31 I 3.9888 7.7354 119.3812 62.7548 39.2216 174.0165 32 A 4.8037 8.7588 130.7724 50.2756 21.2726 175.4481 33 S 4.8837 8.6537 117.6908 56.5354 65.6412 172.2968 34 Y 5.0042 8.9523 125.2914 56.3438 39.7134 175.0552 35 E 4.7747 8.8975 124.0482 55.5235 30.5972 177.3390 36 A 4.0047 8.7573 125.9866 54.2471 18.9855 178.0738 *38 E 4.2225 7.8326 111.2206 55.1564 31.1019 181.0131 39 G 5.3023 8.4763 119.5052 46.6234 0.0000 171.0821 40 P 3.8972 0.0000 0.0000 62.9212 32.5103 177.7026 *42 A 4.3975 8.2191 119.7956 51.5292 20.7614 177.1730 43 V 4.5737 7.6438 113.2742 61.1248 33.4782 174.5015 44 S 4.6602 8.5742 121.9520 56.6989 65.7692 172.0216 45 H 5.1344 8.7937 123.2312 54.5201 31.4455 173.2759 46 G 4.1387 9.3792 112.1713 44.2949 0.0000 174.8130 47 K 3.9322 9.2135 124.5364 59.4258 32.3039 179.1863 48 E 3.9429 8.1754 118.9501 59.1072 29.5560 178.2110 49 A 4.2839 7.9827 121.7813 54.6375 18.3418 179.2481 50 L 3.9312 7.8493 118.5189 58.0378 42.1228 179.1194 51 R 3.9112 7.9982 118.9786 59.3719 29.6446 178.5636 52 Q 4.0241 8.1627 117.8817 58.8114 28.7274 178.5838 53 K 4.0698 8.4023 120.9441 59.8244 32.2183 178.8867 54 S 4.2516 8.3953 115.5814 61.6420 62.6973 176.6181 55 Q 3.9792 8.2727 122.2276 58.8656 28.6492 177.8246 56 W 4.0692 8.2251 128.1870 60.2622 31.0058 177.3241 57 W 3.9529 9.0000 128.4762 60.6489 29.9909 177.8076 58 Q 4.0649 8.5368 118.0417 59.1862 27.9948 178.7521 59 E 4.0368 8.0631 117.6793 58.0923 29.6347 177.2207 60 N 4.4655 7.0256 115.2535 52.8545 39.8880 173.9441 61 H 4.7383 7.2780 113.9833 54.0188 33.3025 172.6353 62 E 4.4675 8.8468 124.0707 54.3408 31.2480 174.9558 63 V 4.3978 8.2533 127.7299 61.6770 31.9975 175.9220 64 H 4.5944 9.9938 123.1386 55.8440 29.8055 175.7789 65 G 4.1909 8.4891 105.6128 44.1607 0.0000 171.0530 66 G 3.4503 6.8689 105.3900 45.6004 0.0000 171.2562 67 S 4.5761 6.9276 113.0465 56.8338 67.0479 173.2003 68 V 4.9571 8.2944 119.6295 61.2463 34.1019 174.3119 69 E 4.6177 10.1047 127.1977 54.6782 32.9456 176.3847 70 G 3.0784 8.2747 109.7246 43.6242 0.0000 170.9487 71 P 4.8144 0.0000 0.0000 62.7189 32.9810 175.3272 72 Y 4.5911 8.8919 119.2529 56.4789 39.9952 174.9082 73 V 4.9551 8.4448 124.1997 61.3681 34.4889 174.9800 74 N 4.7206 9.3895 125.3961 53.4028 42.1872 174.2090 75 G 3.7963 8.3430 116.9394 47.3428 0.0000 173.1209 76 D 4.8074 8.6795 124.9596 53.0154 39.5604 175.2404 77 Q 5.3111 8.0925 118.4609 54.5525 33.3583 174.1501 78 F 5.5626 8.8628 114.8238 55.3569 41.8945 173.3128 79 A 5.4451 9.5557 122.0183 50.4137 22.4043 175.1819 80 L 5.4054 9.2243 118.7892 53.0108 46.6593 175.4808 81 R 4.9919 9.0042 122.4012 54.6726 32.5561 174.4552 82 F 5.6704 9.4841 125.3738 55.7668 42.2359 174.7009 83 K 4.9512 9.1707 123.8165 55.0985 35.2378 174.8439 84 F 5.3348 9.0602 125.2175 55.8711 43.8893 173.4149 85 D 5.6563 9.1378 121.2198 52.9486 43.0865 176.0527 86 V 4.9540 9.1233 121.7257 60.6937 35.6123 173.8533 87 T 4.7755 8.6819 119.7735 61.1554 70.8941 171.8136 88 P 4.3045 0.0000 0.0000 62.0737 31.9878 177.9927 89 K 3.8875 8.4720 123.9639 59.6053 32.0354 178.4059 90 A 4.0816 8.1040 122.1969 54.8774 18.4378 178.0796 91 T 4.1935 7.8539 103.4738 61.2385 70.1934 175.9731 92 G 3.7952 8.6693 110.9678 45.9095 0.0000 173.0519 93 E 4.6602 7.7917 118.0912 54.3544 31.4188 180.7257 94 R 4.4102 8.6316 126.2563 55.6190 30.8843 175.9347 95 V 4.6591 9.0717 118.6206 60.3875 36.7208 175.1242 96 T 5.3471 8.2485 118.9470 61.5064 71.2688 173.2695 *98 D 4.7248 8.3981 120.6223 54.8313 41.8074 174.3026 99 E 5.2419 9.3179 124.7730 55.1659 35.1845 174.1203 100 V 5.0029 9.0887 120.6095 61.2757 34.5104 174.3079 101 G 4.5256 9.4723 115.0832 44.3821 0.0000 171.8026 102 L 5.0132 8.1150 125.9938 53.1206 44.8883 174.4625 103 Y 4.8617 8.7021 124.0463 56.3482 40.8398 174.6317 104 T 4.8333 8.6643 121.1840 61.9037 70.8751 173.7504 105 V 4.9249 8.7547 126.4052 60.9799 34.1896 174.9246 106 K 4.4755 8.9678 128.2398 55.9699 35.0016 175.7354 107 N 3.9278 9.9448 124.0571 54.5488 36.0445 175.2660 108 G 4.0652 8.5972 103.4137 45.5434 0.0000 173.9906 109 K 4.8767 7.8778 118.6302 54.1576 35.6001 175.5292 110 I 4.5323 8.8705 124.0661 61.7200 37.3512 176.6876 111 T 4.2213 9.1677 119.2106 63.1740 70.5426 174.4426 112 E 5.4125 7.9621 121.9950 54.5002 33.5948 173.5110 113 E 4.6249 9.1963 123.5356 54.3404 33.1230 174.5212 114 R 4.7188 7.9925 122.7444 54.5449 33.3817 173.4171 115 F 5.5141 8.9832 125.6357 56.0862 41.2183 174.7551 116 Y 4.8479 9.6029 120.9896 56.3710 40.8402 175.5597 117 Y 4.4531 8.5629 123.4140 57.9360 39.3060 174.5280 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 T 8.03 4.36 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 3 I 8.13 3.51 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.40 0.98 0.00 0.00 4 A 8.70 3.91 1.26 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 0.00 0.00 5 E 7.92 3.83 0.00 2.17 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 2.31 2.33 0.00 6 I 7.60 3.45 1.83 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 1.52 0.72 0.39 0.00 0.00 7 A 7.87 2.58 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 8 K 8.18 3.71 0.00 1.76 1.93 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.38 7.81 9 D 8.09 4.28 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.08 4.12 0.00 2.65 2.80 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 11 T 7.92 3.85 4.33 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 1.24 0.00 0.00 12 E 8.27 3.94 0.00 2.19 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 2.31 2.52 0.00 13 L 8.06 3.99 0.00 1.77 1.66 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.70 3.96 0.00 1.88 1.83 1.15 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.16 4.07 0.00 1.89 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.68 7.81 16 Q 7.88 4.32 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.99 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 17 G 8.14 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 18 D 8.20 4.66 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 19 N 7.76 4.25 0.00 2.73 2.77 0.00 0.00 6.87 7.35 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 20 A 8.01 4.13 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 21 G 8.39 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.09 1.14 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 0.00 0.00 0.00 23 A 8.05 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.89 0.00 2.07 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 2.33 2.46 0.00 25 K 8.17 3.91 0.00 1.69 1.68 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.06 7.81 26 Y 8.24 4.71 0.00 3.39 2.99 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 27 N 8.38 4.76 0.00 2.93 2.84 0.00 0.00 6.96 7.83 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 28 A 8.80 4.31 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 29 D 8.99 4.45 0.00 2.63 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 30 D 7.81 5.19 0.00 2.66 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 31 I 7.74 3.99 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.39 0.99 0.00 0.00 32 A 8.76 4.80 1.16 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 0.00 0.00 33 S 8.65 4.88 0.00 3.85 3.59 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 34 Y 8.95 5.00 0.00 2.76 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 35 E 8.90 4.77 0.00 1.88 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 0.00 2.47 2.38 0.00 36 A 8.76 4.00 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 *38 E 7.83 4.22 0.00 2.03 1.79 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 2.13 1.89 0.00 39 G 8.48 5.30 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 0.00 40 P 0.00 3.90 0.00 1.88 2.01 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 *42 A 8.22 4.40 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 43 V 7.64 4.57 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 0.61 0.00 0.00 1.04 0.00 0.00 44 S 8.57 4.66 0.00 3.80 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.79 5.13 0.00 2.99 3.14 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 9.38 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 0.00 0.00 0.00 0.00 47 K 9.21 3.93 0.00 2.06 1.84 0.00 1.82 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.49 7.81 48 E 8.18 3.94 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 2.39 2.45 0.00 49 A 7.98 4.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.85 3.93 0.00 1.97 1.85 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.00 3.91 0.00 2.08 2.18 0.00 3.17 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 52 Q 8.16 4.02 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 53 K 8.40 4.07 0.00 1.81 1.98 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 54 S 8.40 4.25 0.00 4.08 3.92 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 55 Q 8.27 3.98 0.00 2.37 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 56 W 8.23 4.07 0.00 3.38 3.51 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 57 W 9.00 3.95 0.00 3.77 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 58 Q 8.54 4.06 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 59 E 8.06 4.04 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 60 N 7.03 4.47 0.00 1.44 1.82 0.00 0.00 6.59 8.22 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 61 H 7.28 4.74 0.00 1.66 2.36 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.85 4.47 0.00 1.89 1.67 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 2.06 2.14 0.00 63 V 8.25 4.40 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 0.86 0.00 0.00 1.28 0.00 0.00 64 H 9.99 4.59 0.00 3.10 3.43 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.49 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 0.00 0.00 0.00 0.00 66 G 6.87 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 67 S 6.93 4.58 0.00 3.76 3.78 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 68 V 8.29 4.96 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 0.83 0.00 0.00 1.38 0.00 0.00 69 E 10.10 4.62 0.00 1.98 1.91 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 2.23 2.24 0.00 70 G 8.27 3.08 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 0.00 0.00 0.00 0.00 71 P 0.00 4.81 0.00 2.00 1.90 0.00 3.57 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 1.82 1.68 0.00 72 Y 8.89 4.59 0.00 2.94 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 73 V 8.44 4.96 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 0.94 0.00 0.00 74 N 9.39 4.72 0.00 2.72 2.63 0.00 0.00 7.12 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 75 G 8.34 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 0.00 0.00 0.00 76 D 8.68 4.81 0.00 3.05 2.90 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 77 Q 8.09 5.31 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 78 F 8.86 5.56 0.00 3.11 3.06 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 79 A 9.56 5.45 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 80 L 9.22 5.41 0.00 1.57 1.06 1.30 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 R 9.00 4.99 0.00 1.83 1.80 0.00 3.03 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 82 F 9.48 5.67 0.00 3.19 3.25 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 83 K 9.17 4.95 0.00 1.87 1.61 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.49 7.81 84 F 9.06 5.33 0.00 3.08 2.99 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 85 D 9.14 5.66 0.00 2.77 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 86 V 9.12 4.95 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 1.04 0.00 0.00 0.93 0.00 0.00 87 T 8.68 4.78 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 1.20 0.00 0.00 88 P 0.00 4.30 0.00 1.98 1.81 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 89 K 8.47 3.89 0.00 1.38 1.73 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.24 7.81 90 A 8.10 4.08 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 91 T 7.85 4.19 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 92 G 8.67 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 0.00 0.00 0.00 93 E 7.79 4.66 0.00 1.77 1.74 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 2.17 2.10 0.00 94 R 8.63 4.41 0.00 1.84 1.88 0.00 2.92 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 1.64 1.74 0.00 95 V 9.07 4.66 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 0.81 0.00 0.00 1.05 0.00 0.00 96 T 8.25 5.35 4.33 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 1.37 0.00 0.00 *98 D 8.40 4.72 0.00 2.76 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 99 E 9.32 5.24 0.00 2.30 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 0.00 2.50 2.46 0.00 100 V 9.09 5.00 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 0.81 0.00 0.00 0.92 0.00 0.00 101 G 9.47 4.53 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 0.00 102 L 8.12 5.01 0.00 1.69 1.56 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.70 4.86 0.00 1.43 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 0.00 0.00 0.00 104 T 8.66 4.83 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 0.00 105 V 8.75 4.92 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 0.83 0.00 0.00 1.03 0.00 0.00 106 K 8.97 4.48 0.00 1.75 1.60 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.41 7.81 107 N 9.94 3.93 0.00 2.91 2.89 0.00 0.00 7.18 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 0.00 108 G 8.60 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 0.00 109 K 7.88 4.88 0.00 1.82 1.74 0.00 1.96 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.56 7.81 110 I 8.87 4.53 1.96 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 1.08 0.00 0.00 111 T 9.17 4.22 4.27 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 1.28 0.00 0.00 112 E 7.96 5.41 0.00 2.06 1.75 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 2.33 2.56 0.00 113 E 9.20 4.62 0.00 1.32 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 2.19 2.20 0.00 114 R 7.99 4.72 0.00 1.87 1.59 0.00 2.89 0.00 0.00 2.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.33 0.00 115 F 8.98 5.51 0.00 2.92 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 0.00 116 Y 9.60 4.85 0.00 2.86 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 0.00 117 Y 8.56 4.45 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.