NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8872 8.0544 114.0405 61.0266 32.9614 174.2701 2 E 4.1451 8.1052 122.7954 54.5272 30.5441 174.1652 3 W 5.2762 8.3425 124.8348 54.7452 33.7499 175.1254 4 T 4.6494 8.6481 112.6376 60.4644 71.4593 175.8917 5 D 4.3811 8.5347 121.9661 57.3787 40.8879 178.7789 6 K 3.8652 8.1379 119.6579 59.6484 32.0807 178.4362 7 E 3.9859 8.3582 118.4717 59.7283 29.6088 179.3146 8 R 3.6715 8.0656 117.9946 59.4702 30.0540 179.0938 9 S 4.0605 8.3452 112.8775 61.3500 62.3600 176.3645 10 I 3.6943 7.7239 122.4569 64.5111 36.7940 178.3671 11 I 3.7384 7.8582 120.7476 64.5382 36.6515 178.5252 12 S 4.0653 7.6368 112.3443 61.3730 62.4358 175.3405 13 D 4.4152 8.2473 120.8392 57.2333 41.0851 178.1267 14 I 3.6019 8.4576 120.8212 64.5679 36.9991 178.2995 15 F 4.4361 7.9994 116.0847 59.3428 38.8453 176.9799 16 S 4.5380 7.7217 113.0497 59.5863 63.5580 174.4510 17 H 4.6291 7.6181 116.5225 55.8515 29.1685 174.5358 18 M 4.1528 7.7792 120.2919 54.6650 33.0235 175.2703 19 D 4.6015 8.5165 125.4863 53.2693 42.0205 176.2898 20 Y 4.3939 8.3893 126.1256 61.4279 37.8721 178.1812 21 D 4.4944 8.3484 117.5737 56.3787 40.8991 177.3978 22 D 4.5738 7.9293 118.4263 56.7677 41.8624 178.1447 23 I 3.6913 7.9414 120.3505 64.1355 37.0523 178.4296 24 G 3.6946 8.3371 106.7628 47.6713 0.0000 173.9225 25 P 4.2461 0.0000 0.0000 64.7913 31.5197 178.9540 26 K 3.8875 7.6505 116.7935 59.3921 32.0602 179.2870 27 A 3.9872 8.0608 121.0639 54.9919 18.2231 179.5173 28 L 3.8875 7.7659 118.4703 58.1215 42.3072 178.9854 29 S 4.0179 8.5737 115.6031 61.7292 62.8242 176.7578 30 R 3.8842 7.9200 120.8655 59.5369 29.7757 177.8810 31 C 4.0697 7.8355 117.9025 62.7526 31.2292 175.6043 32 L 3.8998 8.0756 120.4111 57.5405 40.8500 179.6104 33 I 3.7649 7.1296 118.4901 64.0525 37.4566 178.2154 34 V 3.4751 7.9694 117.9944 64.4384 32.8804 175.6976 35 Y 3.8981 7.3044 115.5081 54.4739 38.1695 174.0947 36 P 4.3227 0.0000 0.0000 65.1333 31.8360 177.5844 37 W 4.4966 7.7208 113.5602 58.6167 28.4996 177.3114 38 T 4.3109 7.5478 110.3241 63.1608 68.6872 176.2620 39 Q 4.4484 8.1046 121.7326 58.1634 28.4457 177.5072 40 R 4.1759 7.6652 113.6148 56.4367 29.3171 176.4708 41 H 4.6191 7.5493 112.7936 56.0114 29.5514 174.5554 42 F 4.9525 7.7947 118.1205 57.3555 39.8202 176.4245 43 S 4.3776 8.2868 119.1089 60.8680 63.0522 175.4267 44 G 3.6392 7.8790 108.1292 46.0301 0.0000 174.9511 *53 A 4.3334 7.7617 122.3861 52.0282 20.5973 180.0624 54 I 3.6734 7.5697 114.4809 64.5119 37.2419 178.9070 55 I 3.6696 7.2852 119.7540 62.7542 37.0136 177.4404 56 G 4.0508 7.1124 103.9703 43.5255 0.0000 173.7661 57 N 4.4117 7.8081 120.9301 53.4632 39.8714 175.3606 58 A 4.0742 8.6569 129.9451 55.1597 18.7099 179.0607 59 N 4.3343 8.9377 115.8650 56.3764 38.5788 177.8085 60 V 3.3289 7.8797 119.0966 65.5628 31.8216 177.7030 61 A 3.9343 7.9619 120.3896 55.1783 18.2603 179.4305 62 A 3.9772 8.2908 119.5371 55.7366 18.4256 179.4291 63 H 4.3671 8.3174 116.3275 59.0366 29.7846 177.7190 64 G 3.5747 8.1367 107.9374 47.7410 0.0000 175.8242 65 I 3.7705 7.6665 121.7520 64.1462 37.1768 178.5740 66 K 4.0182 8.1337 119.3449 59.4389 31.9507 179.4588 67 V 3.5520 7.8389 118.5452 66.1690 31.4853 178.2062 68 L 3.9611 7.6485 118.3185 58.0030 41.0897 179.2521 69 H 4.4444 8.1562 115.6002 58.4540 28.7691 177.6261 70 G 3.8869 8.1195 107.6715 47.2872 0.0000 175.9236 71 L 4.6454 7.8948 122.3320 57.0673 41.5931 178.7726 72 D 3.9883 8.1320 118.1422 56.9098 41.0689 178.3577 73 R 3.9432 7.6388 118.1591 59.4363 30.0642 178.7865 74 G 3.8176 7.8793 103.7179 47.0705 0.0000 175.5853 75 V 3.3706 7.1841 120.1110 65.2324 31.5657 177.2870 76 K 4.2396 7.5770 115.9343 56.8658 33.3129 176.4239 77 N 5.0713 7.6987 117.2654 52.2114 39.4409 175.8834 78 M 4.0383 8.0182 118.3044 58.2286 32.5834 177.7093 79 D 5.0538 7.9631 116.2252 53.9414 41.7080 176.8362 80 N 4.9804 8.1158 118.0185 51.3301 39.5397 176.5488 81 I 3.7463 8.1365 121.6572 64.6355 37.5953 177.5538 82 A 4.0359 8.1714 119.4257 55.4006 18.2261 179.0775 83 A 4.1048 7.9186 118.5551 55.5408 18.4721 179.7713 84 T 3.6911 7.5249 112.6653 65.9446 68.6683 175.2337 85 Y 4.6580 7.5540 116.2060 57.3616 38.6980 177.0089 86 A 4.0663 7.8303 123.8808 55.3301 18.1664 179.6797 87 D 4.3076 8.0023 116.9893 56.7638 39.9837 178.7361 88 L 4.0711 7.9491 120.4306 57.1116 41.3780 179.0951 89 S 4.0395 8.9367 113.9827 62.0236 62.3779 176.6513 90 T 3.9421 7.7425 118.0868 66.0589 68.0311 176.7264 91 L 3.9256 7.6214 122.8502 58.6213 42.1766 178.7991 92 H 4.3196 8.3344 115.7192 58.1430 28.0286 177.1885 93 S 4.3869 7.7901 114.7155 60.2433 62.4635 175.4327 94 E 3.9027 8.1020 121.4712 59.0706 29.7526 177.8451 95 K 4.1212 7.8905 117.1968 58.5310 32.8177 177.7430 96 L 3.9787 8.0682 117.2101 55.7893 41.9482 176.5872 97 H 4.1628 7.2609 113.8596 56.5854 26.6387 175.0690 98 V 3.9022 8.2881 118.4394 61.3359 32.6842 174.9097 99 D 4.4778 8.5521 127.2252 53.3893 41.6775 175.1175 100 P 4.6526 0.0000 0.0000 65.7894 31.1186 178.1056 101 D 4.3415 8.1187 118.4111 57.1904 41.0713 177.6895 102 N 4.3232 8.0286 117.1014 56.0604 38.3892 177.2630 103 F 4.2726 7.5512 119.4451 60.0814 38.8394 177.5858 104 K 3.9687 7.9845 119.1497 59.3784 32.1029 178.9348 105 L 3.7350 7.6751 118.7045 57.7704 41.6775 179.1253 106 L 4.0304 7.8998 120.1986 57.8753 41.9174 178.8801 107 S 4.0909 8.1239 113.3375 61.6611 62.3171 175.9786 108 D 4.4720 7.9443 121.2434 57.5798 40.5318 178.6555 109 C 4.1942 8.1592 117.0142 62.7364 28.0406 176.1714 110 I 3.7420 7.9131 121.3909 64.6942 36.6790 178.3909 111 T 4.0512 7.9985 116.4869 67.0379 68.1458 176.6574 112 I 3.6244 7.7515 120.2127 64.3015 37.4472 178.4517 113 V 3.6396 7.8715 119.1679 65.7917 31.3871 177.8953 114 L 3.7192 8.1278 120.3425 57.9120 41.6119 178.8154 115 A 2.9612 7.6497 120.6004 54.4396 17.9436 179.2413 116 A 4.0333 7.3094 117.9552 54.2419 18.6343 179.2216 117 K 4.0480 7.5185 117.1404 59.4029 33.0050 178.1455 118 M 4.2477 8.1631 117.5776 55.0966 32.5016 177.8389 119 G 3.6646 8.0805 107.6566 47.2266 0.0000 176.2911 120 H 4.4842 8.9101 120.7682 56.9358 28.6918 175.6626 121 A 4.1980 8.0099 121.8993 53.4763 18.8260 178.1799 122 F 4.4487 7.6495 120.1875 56.7851 37.9085 175.3086 123 T 4.1338 7.2725 115.8009 60.7981 71.3519 175.1710 124 A 4.1281 8.3662 122.4500 55.0486 18.2723 179.5296 125 E 3.8718 7.9785 117.6824 59.5403 29.8539 178.8976 126 T 3.7390 7.5763 115.5238 66.4920 68.4139 176.1486 127 Q 3.8179 7.9254 121.8624 59.2761 29.1024 178.6775 128 G 3.7310 8.1846 106.2862 47.9309 0.0000 175.4243 129 A 4.1815 7.9573 122.5824 54.9993 18.5697 179.5535 130 F 4.3857 8.5384 119.2649 61.5911 39.3738 177.4498 131 Q 4.0367 8.6745 118.0825 58.6847 28.6035 178.3302 132 K 3.9351 8.1743 120.6201 59.4246 32.2183 178.4485 133 F 4.6415 8.4907 120.8438 61.7339 39.4147 177.1637 134 L 3.5357 7.8073 117.9882 57.2935 41.2797 179.4315 135 A 3.8867 8.2288 121.2477 55.2858 18.3777 179.8923 136 V 3.4891 7.6274 116.5536 66.0751 31.3250 178.4347 137 V 3.3113 7.5803 118.0957 65.7713 31.2435 178.2616 138 V 3.2944 8.0190 118.4359 65.6538 31.4235 178.3021 139 S 4.0198 7.8484 115.0371 61.4718 62.4819 176.4718 140 A 4.0867 7.5124 121.5347 54.4017 18.0792 179.3784 141 L 3.9775 6.9251 117.0875 57.1529 41.9468 178.1482 142 G 4.0092 7.4383 104.5365 45.5652 0.0000 174.2972 143 K 4.1018 7.5515 121.6605 57.9421 32.6374 176.8056 144 Q 4.2681 7.4782 120.6388 55.9221 28.8616 175.1849 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 1 V 8.05 3.89 1.62 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 0.71 0.00 0.00 0.55 0.00 0.00 2 E 8.11 4.15 0.00 1.88 1.70 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 2.22 2.45 0.00 3 W 8.34 5.28 0.00 3.28 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 4 T 8.65 4.65 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 1.28 0.00 0.00 5 D 8.53 4.38 0.00 2.77 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 6 K 8.14 3.87 0.00 1.88 1.86 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.64 7.81 7 E 8.36 3.99 0.00 2.49 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 0.00 2.47 2.49 0.00 8 R 8.07 3.67 0.00 2.00 1.89 0.00 3.14 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.83 0.00 9 S 8.35 4.06 0.00 3.91 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 10 I 7.72 3.69 1.90 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 1.51 0.91 0.91 0.00 0.00 11 I 7.86 3.74 1.64 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.39 0.00 0.00 12 S 7.64 4.07 0.00 3.84 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 0.00 13 D 8.25 4.42 0.00 2.94 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 14 I 8.46 3.60 2.08 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 1.43 0.81 0.45 0.00 0.00 15 F 8.00 4.44 0.00 3.01 3.24 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 16 S 7.72 4.54 0.00 4.01 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 0.00 17 H 7.62 4.63 0.00 3.17 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.78 4.15 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 19 D 8.52 4.60 0.00 2.73 2.56 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 0.00 20 Y 8.39 4.39 0.00 2.96 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 21 D 8.35 4.49 0.00 2.68 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 22 D 7.93 4.57 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 23 I 7.94 3.69 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.95 0.87 0.00 0.00 24 G 8.34 3.69 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 0.00 0.00 0.00 25 P 0.00 4.25 0.00 2.16 2.09 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 26 K 7.65 3.89 0.00 1.83 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 27 A 8.06 3.99 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 28 L 7.77 3.89 0.00 1.71 1.57 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.57 4.02 0.00 3.97 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 30 R 7.92 3.88 0.00 1.94 2.03 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 31 C 7.84 4.07 0.00 3.18 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 32 L 8.08 3.90 0.00 1.79 1.65 0.71 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.13 3.76 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.82 0.00 0.00 34 V 7.97 3.48 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 -0.10 0.00 0.00 0.72 0.00 0.00 35 Y 7.30 3.90 0.00 2.64 1.55 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 36 P 0.00 4.32 0.00 2.24 2.12 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 37 W 7.72 4.50 0.00 3.42 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 38 T 7.55 4.31 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 1.13 0.00 0.00 39 Q 8.10 4.45 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 40 R 7.67 4.18 0.00 1.86 2.02 0.00 2.54 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.28 0.00 41 H 7.55 4.62 0.00 2.41 2.63 0.00 5.60 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.79 4.95 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.29 4.38 0.00 3.88 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 44 G 7.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.33 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 54 I 7.57 3.67 1.83 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 1.61 0.81 0.84 0.00 0.00 55 I 7.29 3.67 1.84 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 1.48 0.84 0.88 0.00 0.00 56 G 7.11 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.81 4.41 0.00 2.95 2.79 0.00 0.00 6.95 7.92 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 58 A 8.66 4.07 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 59 N 8.94 4.33 0.00 2.91 2.97 0.00 0.00 6.53 7.67 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 60 V 7.88 3.33 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 0.78 0.00 0.00 0.73 0.00 0.00 61 A 7.96 3.93 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 62 A 8.29 3.98 1.43 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 0.00 0.00 0.00 63 H 8.32 4.37 0.00 3.39 3.31 0.00 5.60 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 G 8.14 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.67 3.77 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.04 1.09 0.00 0.00 66 K 8.13 4.02 0.00 1.97 1.91 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.73 7.81 67 V 7.84 3.55 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 1.05 0.00 0.00 0.88 0.00 0.00 68 L 7.65 3.96 0.00 1.46 0.61 0.91 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.16 4.44 0.00 3.32 3.45 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.12 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 71 L 7.89 4.65 0.00 2.07 2.00 1.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.13 3.99 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.64 3.94 0.00 1.98 1.90 0.00 2.78 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 74 G 7.88 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 0.00 0.00 0.00 75 V 7.18 3.37 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 0.55 0.00 0.00 -0.10 0.00 0.00 76 K 7.58 4.24 0.00 1.89 1.78 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.52 7.81 77 N 7.70 5.07 0.00 2.58 2.66 0.00 0.00 6.89 7.55 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 78 M 8.02 4.04 0.00 1.27 1.84 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.20 0.00 79 D 7.96 5.05 0.00 2.71 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 80 N 8.12 4.98 0.00 2.76 2.66 0.00 0.00 7.24 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 81 I 8.14 3.75 2.02 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.03 1.13 0.00 0.00 82 A 8.17 4.04 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 83 A 7.92 4.10 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 84 T 7.52 3.69 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 0.64 0.00 0.00 85 Y 7.55 4.66 0.00 2.94 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 86 A 7.83 4.07 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 87 D 8.00 4.31 0.00 2.90 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 88 L 7.95 4.07 0.00 2.03 1.87 1.15 0.80 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 89 S 8.94 4.04 0.00 3.97 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 90 T 7.74 3.94 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 1.22 0.00 0.00 91 L 7.62 3.93 0.00 1.72 1.86 0.90 0.95 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 92 H 8.33 4.32 0.00 3.53 3.58 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.79 4.39 0.00 3.96 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.10 3.90 0.00 2.14 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 2.33 2.31 0.00 95 K 7.89 4.12 0.00 1.71 1.91 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.41 7.81 96 L 8.07 3.98 0.00 1.67 1.59 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.26 4.16 0.00 3.34 3.35 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.29 3.90 2.12 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 0.23 0.00 0.00 0.58 0.00 0.00 99 D 8.55 4.48 0.00 2.81 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 0.00 100 P 0.00 4.65 0.00 2.41 2.45 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 101 D 8.12 4.34 0.00 2.84 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 0.00 102 N 8.03 4.32 0.00 2.50 2.65 0.00 0.00 6.91 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 0.00 103 F 7.55 4.27 0.00 3.03 2.97 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 0.00 0.00 0.00 104 K 7.98 3.97 0.00 1.80 1.97 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.63 7.81 105 L 7.68 3.74 0.00 1.67 1.16 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.90 4.03 0.00 1.79 1.71 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.12 4.09 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.94 4.47 0.00 2.92 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 0.00 109 C 8.16 4.19 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.91 3.74 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.94 1.17 0.00 0.00 111 T 8.00 4.05 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 112 I 7.75 3.62 1.99 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 1.42 0.59 0.87 0.00 0.00 113 V 7.87 3.64 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 0.93 0.00 0.00 0.93 0.00 0.00 114 L 8.13 3.72 0.00 1.55 1.39 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.65 2.96 1.03 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 0.00 0.00 116 A 7.31 4.03 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 0.00 117 K 7.52 4.05 0.00 1.67 1.72 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.47 7.81 118 M 8.16 4.25 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 119 G 8.08 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.91 4.48 0.00 3.19 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.01 4.20 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 0.00 122 F 7.65 4.45 0.00 2.94 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 0.00 123 T 7.27 4.13 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 1.25 0.00 0.00 124 A 8.37 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 0.00 125 E 7.98 3.87 0.00 2.02 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 0.00 126 T 7.58 3.74 3.73 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 0.00 1.06 0.00 0.00 127 Q 7.93 3.82 0.00 1.74 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 128 G 8.18 3.73 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 0.00 0.00 0.00 0.00 0.00 129 A 7.96 4.18 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 0.00 130 F 8.54 4.39 0.00 3.26 3.40 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 0.00 131 Q 8.67 4.04 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 132 K 8.17 3.94 0.00 2.07 2.25 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.34 1.36 7.81 133 F 8.49 4.64 0.00 3.28 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 0.00 134 L 7.81 3.54 0.00 1.73 1.53 0.62 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.23 3.89 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 0.00 136 V 7.63 3.49 2.29 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 1.06 0.00 0.00 0.98 0.00 0.00 137 V 7.58 3.31 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.04 0.00 0.00 138 V 8.02 3.29 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 0.97 0.00 0.00 0.90 0.00 0.00 139 S 7.85 4.02 0.00 4.03 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 0.00 140 A 7.51 4.09 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 0.00 141 L 6.93 3.98 0.00 0.86 0.30 0.22 0.42 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 0.00 142 G 7.44 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 0.00 143 K 7.55 4.10 0.00 2.03 1.78 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.39 7.81 144 Q 7.48 4.27 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.