NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1760 8.0393 117.9117 60.1825 33.6530 175.7003 8 S 4.2344 8.4031 118.5095 56.6101 64.8483 173.3642 9 W 4.2345 9.5899 135.0000 61.0007 30.7678 179.2139 10 I 3.4448 8.2462 117.5985 64.5452 37.1875 177.6140 11 S 4.7603 7.6435 115.3547 60.7024 62.8263 176.3687 12 W 4.1292 8.6019 131.2346 60.5335 30.4753 177.3836 13 F 2.7383 8.0103 120.6311 61.1484 38.4016 176.7447 14 C 4.0254 7.9608 116.2278 62.1475 28.1941 175.4672 15 G 3.5856 7.0007 106.8517 46.4870 0.0000 174.3353 16 L 3.7339 7.0910 120.7361 54.1351 42.1134 176.3750 17 R 3.9436 7.8981 121.1604 57.5961 30.5021 176.7748 18 G 4.0470 9.7715 114.2375 45.0419 0.0000 173.4741 19 N 5.2269 7.3344 117.9954 52.9431 38.9454 176.5914 20 E 4.2129 8.0390 118.5485 58.7665 30.1789 178.6437 21 F 5.0927 8.1373 116.1576 59.4911 39.4420 175.8058 22 F 4.6922 7.9834 118.5530 56.8724 39.6601 174.4378 23 C 5.1083 8.8830 116.7226 56.2358 32.6142 173.6151 24 E 4.4147 8.7088 120.3791 55.4804 29.0161 176.6424 25 V 2.7492 8.5798 125.4885 61.8925 32.1277 175.2908 26 D 4.3845 7.5407 127.7511 54.3774 41.4074 176.7814 27 E 4.2077 8.8670 125.1417 58.5611 29.4139 178.6189 28 D 4.3702 9.0665 120.7939 57.6919 41.0832 177.3523 29 Y 4.3272 8.0217 119.6853 61.0677 38.5398 178.4815 30 I 3.6871 7.6507 118.9422 64.2761 37.3652 177.9414 31 Q 4.3475 8.2266 118.1024 56.9031 28.9048 176.3884 32 D 4.6371 7.6115 120.1792 52.5919 41.5540 176.3884 33 K 3.8077 8.6631 127.9685 59.4082 32.2871 179.3290 34 F 4.1030 8.7244 116.6633 59.4976 38.9040 175.9355 35 N 4.5250 8.0211 117.5134 54.9714 38.9297 175.8817 36 L 4.4068 7.7297 116.6913 54.7049 41.7268 176.3911 37 T 3.8730 7.7598 116.1804 65.4364 68.2078 174.5918 38 G 3.9176 8.8174 113.6323 45.6768 0.0000 174.9164 39 L 3.8735 7.7751 120.3886 56.9436 42.0939 179.0483 40 N 3.2733 7.6919 115.6876 54.7679 37.2080 174.9938 41 E 4.5506 7.1442 116.0038 55.7551 30.3098 176.5236 42 Q 4.5088 7.9592 118.3219 57.2220 33.4743 174.5613 43 V 4.5637 7.4679 110.2004 58.3694 34.2709 173.7541 44 P 4.3421 0.0000 0.0000 63.9718 32.4378 175.5178 45 H 3.9463 8.5098 114.8464 56.6921 25.5092 175.4075 46 Y 3.9622 7.5287 118.9916 62.2088 38.6394 176.7045 47 R 3.6928 8.0537 118.8057 59.4390 30.3607 179.0196 48 Q 3.9044 7.9710 117.3882 58.7386 28.7720 178.2187 49 A 3.9239 8.2897 122.2968 54.7162 18.1940 179.4654 50 L 3.5983 7.5543 118.7134 57.9857 42.3417 178.7496 51 D 4.3095 7.8238 118.9803 57.5583 40.6948 178.0663 52 M 3.7606 7.4301 118.6795 58.9984 31.7850 178.3886 53 I 2.6926 6.8274 118.2557 63.1868 37.1841 177.3320 54 L 4.3975 7.5927 117.9236 53.7806 41.3518 177.0176 55 D 4.6324 7.3334 116.9559 54.9548 39.0093 173.4576 56 L 4.1461 7.7441 119.5018 55.0288 42.1248 176.2746 57 E 3.3372 7.9762 124.9529 55.2892 30.2989 177.2780 *68 Q 4.2850 8.6982 126.0465 55.4165 30.2562 172.8549 69 S 4.8692 7.7877 116.7993 59.7727 62.9878 178.4764 70 D 4.9671 7.9779 119.5335 55.3536 40.0671 180.5314 71 L 4.8103 7.7285 127.2307 58.1707 43.1775 180.1455 72 I 3.8933 7.6302 117.8153 64.7764 34.9057 182.0362 73 E 4.4112 8.0676 117.9689 59.5762 29.8734 177.8824 74 Q 4.3320 8.2119 117.2653 58.8522 29.2647 179.2156 75 A 4.2174 7.9321 119.7226 53.9389 19.6546 179.3670 76 A 3.7855 9.2681 118.8812 54.9345 18.1351 179.6464 77 E 3.6512 8.1451 116.6383 59.6688 29.7109 178.6296 78 M 4.6355 7.6920 119.5527 58.0112 32.2353 177.9296 79 L 3.8904 8.2527 120.2368 58.3147 42.2621 178.0072 80 Y 3.9531 8.1628 119.7471 60.6755 38.7885 178.0946 81 G 3.0560 8.4001 107.5345 47.9366 0.0000 175.4220 82 L 4.2215 8.2702 122.1612 57.3797 41.5722 179.8248 83 I 3.6506 7.8429 119.8726 64.4133 37.0168 177.5894 84 H 3.8587 8.2644 119.3622 59.5492 29.3980 176.7963 85 A 3.9094 7.6006 120.3025 55.2294 18.3297 179.5843 86 R 4.1340 7.5184 115.9472 59.1981 30.4649 177.9664 87 Y 3.5621 8.2575 120.4726 60.7236 38.6344 178.6346 88 I 3.6715 7.5485 107.2018 61.7009 36.8728 176.2439 89 L 4.5785 7.6046 120.6875 55.3628 43.1197 177.4348 90 T 4.3076 7.8138 110.4642 60.5562 71.3494 175.2227 91 N 4.2113 8.5659 119.8651 56.7010 38.5902 177.7822 92 R 3.8895 7.8148 118.7276 59.1383 30.2207 178.8691 93 G 3.0255 6.7609 105.3110 47.8927 0.0000 175.4975 94 I 3.8106 7.9001 122.8152 63.8316 37.0735 178.4677 95 A 3.9007 8.2967 121.8511 55.3489 18.2992 179.7003 96 Q 4.0090 8.5192 116.9452 59.4565 28.6888 179.1291 97 M 4.3169 8.5485 120.1941 58.3134 32.0668 178.5154 98 L 3.8633 8.4570 120.9569 57.9287 41.9618 178.8006 99 E 3.9676 8.1197 119.4807 59.2362 29.6323 178.9644 100 K 3.9917 7.9830 117.8838 59.0781 31.9580 178.9085 101 Y 4.2840 8.3376 120.5465 60.9299 38.6368 177.7582 102 Q 4.0428 8.2598 117.1196 58.0737 28.8733 177.6163 103 Q 4.4247 7.5744 117.2518 54.8390 29.4031 176.1302 104 G 3.8253 7.7735 108.0310 46.1261 0.0000 175.5807 105 D 4.1333 7.7358 121.6612 56.4549 40.6937 177.6409 106 F 4.3540 7.5692 114.7864 56.7675 39.7114 175.9691 107 G 3.7357 8.0268 108.4401 44.8933 0.0000 171.8236 108 Y 5.0271 7.8020 114.1021 55.4219 41.2990 175.0531 109 C 3.8564 9.2849 124.0555 59.1437 31.8646 172.5183 110 P 4.2016 0.0000 0.0000 65.0673 31.6647 176.9087 111 R 3.7912 7.4963 119.8977 56.3601 30.4199 176.7191 112 V 3.4047 8.6196 125.1904 66.4008 31.5043 176.7533 113 Y 4.2802 7.8960 113.2066 58.9020 38.0692 175.5304 114 C 4.3618 8.1645 117.6050 59.1575 29.1355 172.9321 115 E 3.7513 8.3834 117.9828 58.6905 26.6097 174.1001 116 N 4.1888 7.9620 109.7526 53.4911 37.1666 174.8354 117 Q 4.2120 7.7662 118.3558 56.0445 30.0276 174.0760 118 P 4.6945 0.0000 0.0000 63.4313 32.1253 175.8830 119 M 4.8357 8.7453 123.2076 54.0934 34.5512 174.7880 120 L 4.5718 8.5976 120.8169 52.4135 45.7207 173.9129 121 P 4.3962 0.0000 0.0000 62.8676 32.1571 174.9897 122 I 4.6799 8.5900 121.1861 59.8513 41.8749 173.3281 123 G 4.5468 9.2731 112.4470 44.5087 0.0000 174.2655 124 L 4.4596 8.7108 121.7155 55.6369 42.3927 176.7015 125 S 4.6297 7.5417 111.3117 57.3367 65.0784 173.2160 126 D 4.7389 8.5408 123.2736 54.4310 41.4927 176.7136 127 I 4.2050 7.3341 120.9382 59.3534 38.0390 174.2603 128 P 4.3816 0.0000 0.0000 63.4175 31.9836 175.8199 129 G 4.0379 9.6625 108.1707 47.2565 0.0000 173.8563 130 E 4.5187 7.7176 116.4385 55.2671 32.1073 174.8443 131 A 4.4472 7.2444 116.5793 51.5939 22.0651 175.4919 132 M 4.8606 8.8314 120.8542 54.4979 33.3289 176.7231 133 V 3.8311 8.7785 122.0928 62.9547 32.0168 175.5814 134 K 4.7380 8.9548 122.6609 54.6409 36.0375 174.3940 135 L 5.0409 9.4345 121.5246 53.3831 44.0532 175.4300 136 Y 5.0317 9.1101 125.6265 56.2744 40.9828 173.5399 137 C 4.7463 7.6595 126.3066 56.9807 33.3474 172.7993 138 P 3.9769 0.0000 0.0000 65.4650 31.2119 177.7015 139 K 3.9770 7.9062 117.8112 59.8160 32.4493 177.5227 140 C 4.1987 7.9568 114.8669 63.2347 28.1372 175.6571 141 M 2.9750 8.5105 116.4320 56.7862 29.2312 175.7377 142 D 5.0059 7.5818 115.7798 52.6175 45.7329 173.8733 143 V 5.0076 8.0553 113.8623 59.7789 34.2215 174.8163 144 Y 4.8626 9.6901 121.7767 56.4380 42.4209 174.4121 145 T 4.8056 8.5113 117.3457 61.7091 69.7633 173.5270 146 P 4.4397 0.0000 0.0000 62.9756 31.9530 176.7860 147 K 4.2060 8.7125 121.2201 59.4410 33.1482 177.8291 148 S 4.4497 7.9148 114.6645 57.9766 63.7133 174.0011 149 S 3.8355 8.2190 116.4264 59.3496 63.7425 175.9998 150 R 4.0945 7.6992 115.9797 57.7335 28.9799 176.8212 151 H 4.9990 7.6799 113.7345 56.2616 29.9332 173.1482 152 H 4.9341 8.3954 115.4998 56.1260 28.4501 175.1390 153 H 5.0320 8.0814 113.3427 55.5816 30.5525 172.7207 154 T 4.8451 7.8693 117.2778 61.6448 70.1941 173.4191 155 D 4.7061 8.8233 126.4286 53.6579 41.9527 177.1913 156 G 3.7454 9.1617 113.8878 47.7918 0.0000 175.4441 157 A 4.3771 8.0258 121.9926 54.5967 18.4775 178.3083 158 Y 4.6444 8.0167 114.4983 59.2023 37.8958 176.8514 159 F 4.2830 7.5812 117.0144 56.0912 41.8493 176.4234 160 G 4.0701 8.7866 107.1734 45.5587 0.0000 173.6879 161 T 4.6474 8.1087 106.9971 61.3003 69.6741 176.3667 162 G 4.0090 7.8610 107.6660 44.5438 0.0000 174.7771 163 F 4.1377 8.1922 123.2126 61.1743 39.4015 174.8077 164 P 3.3795 0.0000 0.0000 65.6837 31.0503 178.1507 165 H 4.1110 7.4554 114.0421 59.1785 28.5094 177.2067 166 M 3.8836 7.7063 119.1653 58.5329 32.2334 178.3327 167 L 3.7907 7.3422 119.8354 58.3120 41.9562 179.1942 168 F 4.2864 7.4794 115.4264 59.4867 39.3508 175.8159 169 M 4.5234 8.1535 118.7507 54.8207 32.3449 175.6085 170 V 4.3138 7.2310 117.1851 63.7434 38.5446 172.1729 171 H 5.2767 7.7584 115.5933 52.4424 29.2977 172.3911 172 P 4.3997 0.0000 0.0000 65.6440 32.0433 179.1409 173 E 4.0331 8.4859 115.4984 58.9512 29.3489 177.8413 174 Y 4.3862 8.2631 115.9959 58.5508 38.6157 175.9852 175 R 3.7627 8.2292 121.2435 55.7811 30.6470 174.4075 176 P 4.6348 0.0000 0.0000 61.6851 32.4163 176.1932 177 K 4.2329 8.2536 119.9207 55.9113 32.7768 177.7329 178 R 4.0656 8.2893 121.3105 55.2167 30.6651 174.8142 179 P 4.1856 0.0000 0.0000 63.2812 31.5102 176.7894 180 A 4.1471 8.7235 126.4546 54.1226 18.6895 176.3136 181 N 5.1475 7.9110 110.9936 51.6783 42.4874 172.8012 182 Q 4.0039 7.6118 118.6777 54.0137 32.2800 173.6908 183 F 4.1156 8.0800 123.9440 57.8859 39.7985 174.7792 184 V 3.9342 7.6476 127.7297 59.7494 33.1428 172.8677 185 P 4.2547 0.0000 0.0000 62.8349 32.2719 175.4957 186 R 5.5578 8.1452 117.8129 55.3114 31.8608 174.6214 187 L 4.1300 8.8342 123.8652 57.7409 43.4885 177.4195 188 Y 4.6487 7.7664 114.5876 56.8375 38.9811 176.0587 189 G 3.8779 8.2187 107.5080 45.1692 0.0000 172.4001 190 F 4.7971 7.5633 118.2821 55.6692 39.4796 175.5892 191 K 4.3177 8.8446 125.7715 56.8617 32.4712 176.8690 192 I 4.0754 8.1888 122.5103 61.1118 38.0050 174.8824 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 7 V 8.04 4.18 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 0.96 0.00 0.00 0.93 0.00 0.00 8 S 8.40 4.23 0.00 4.21 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 9 W 9.59 4.23 0.00 3.54 3.44 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 0.00 10 I 8.25 3.44 2.07 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.25 1.01 0.00 0.00 11 S 7.64 4.76 0.00 4.02 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 12 W 8.60 4.13 0.00 3.24 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 13 F 8.01 2.74 0.00 1.51 2.18 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 0.00 14 C 7.96 4.03 0.00 2.93 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 15 G 7.00 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 0.00 0.00 0.00 16 L 7.09 3.73 0.00 1.01 1.11 -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.90 3.94 0.00 1.65 1.70 0.00 3.13 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 18 G 9.77 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 19 N 7.33 5.23 0.00 2.24 2.49 0.00 0.00 6.86 7.53 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 20 E 8.04 4.21 0.00 1.93 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 0.00 2.30 2.35 0.00 21 F 8.14 5.09 0.00 2.96 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 22 F 7.98 4.69 0.00 3.29 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 23 C 8.88 5.11 0.00 3.23 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 24 E 8.71 4.41 0.00 2.17 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 0.00 2.49 2.40 0.00 25 V 8.58 2.75 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 0.07 0.00 0.00 0.62 0.00 0.00 26 D 7.54 4.38 0.00 2.84 2.66 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 27 E 8.87 4.21 0.00 2.25 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 2.40 2.43 0.00 28 D 9.07 4.37 0.00 2.99 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 Y 8.02 4.33 0.00 3.19 3.14 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 30 I 7.65 3.69 2.01 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 1.67 0.69 0.86 0.00 0.00 31 Q 8.23 4.35 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.96 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 32 D 7.61 4.64 0.00 2.66 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 33 K 8.66 3.81 0.00 1.62 1.70 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.36 7.81 34 F 8.72 4.10 0.00 3.25 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 35 N 8.02 4.52 0.00 2.22 2.32 0.00 0.00 6.97 7.43 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 36 L 7.73 4.41 0.00 1.76 1.78 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.76 3.87 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 1.16 0.00 0.00 38 G 8.82 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 0.00 0.00 0.00 39 L 7.78 3.87 0.00 1.93 1.86 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.69 3.27 0.00 1.95 1.70 0.00 0.00 5.99 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 41 E 7.14 4.55 0.00 1.87 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 2.15 2.31 0.00 42 Q 7.96 4.51 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 43 V 7.47 4.56 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 0.96 0.00 0.00 1.10 0.00 0.00 44 P 0.00 4.34 0.00 2.21 2.05 0.00 3.98 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 2.06 2.04 0.00 45 H 8.51 3.95 0.00 3.43 3.38 0.00 5.85 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.53 3.96 0.00 3.05 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 47 R 8.05 3.69 0.00 2.03 1.91 0.00 3.27 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 48 Q 7.97 3.90 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 49 A 8.29 3.92 1.23 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 0.00 0.00 50 L 7.55 3.60 0.00 0.96 1.45 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.82 4.31 0.00 2.61 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 52 M 7.43 3.76 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0.00 2.67 2.91 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 88 I 7.55 3.67 1.23 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.49 0.00 0.00 89 L 7.60 4.58 0.00 1.83 1.74 0.97 0.70 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 90 T 7.81 4.31 4.11 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 1.08 0.00 0.00 91 N 8.57 4.21 0.00 2.74 2.88 0.00 0.00 6.90 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 92 R 7.81 3.89 0.00 1.60 1.95 0.00 3.25 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 93 G 6.76 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 0.00 0.00 0.00 94 I 7.90 3.81 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 0.83 0.00 0.00 95 A 8.30 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.84 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.40 0.00 0.77 0.74 0.00 2.92 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 1.45 0.89 0.00 122 I 8.59 4.68 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.98 0.00 0.00 123 G 9.27 4.55 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 0.00 0.00 0.00 124 L 8.71 4.46 0.00 1.66 1.73 0.92 0.80 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 S 7.54 4.63 0.00 3.78 3.68 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 0.00 126 D 8.54 4.74 0.00 2.72 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 0.00 127 I 7.33 4.21 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 1.31 0.51 0.92 0.00 0.00 128 P 0.00 4.38 0.00 2.07 2.02 0.00 3.85 0.00 0.00 3.83 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 137 C 7.66 4.75 0.00 3.03 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 0.00 138 P 0.00 3.98 0.00 1.89 1.28 0.00 3.76 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 2.33 2.31 0.00 139 K 7.91 3.98 0.00 1.68 1.81 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 140 C 7.96 4.20 0.00 3.00 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 0.00 141 M 8.51 2.97 0.00 2.13 2.23 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 2.63 2.48 0.00 142 D 7.58 5.01 0.00 2.61 2.18 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 0.00 143 V 8.06 5.01 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 0.94 0.00 0.00 0.88 0.00 0.00 144 Y 9.69 4.86 0.00 2.79 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 T 8.51 4.81 4.31 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 1.22 0.00 0.00 146 P 0.00 4.44 0.00 2.25 2.26 0.00 3.77 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 2.33 2.28 0.00 147 K 8.71 4.21 0.00 1.90 1.99 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.51 7.81 148 S 7.91 4.45 0.00 3.79 3.74 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 0.00 149 S 8.22 3.84 0.00 3.91 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 0.00 150 R 7.70 4.09 0.00 1.84 2.05 0.00 2.79 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.92 0.00 151 H 7.68 5.00 0.00 3.10 3.17 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 8.40 4.93 0.00 3.05 3.18 0.00 5.62 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.08 5.03 0.00 3.16 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.87 4.85 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 155 D 8.82 4.71 0.00 2.00 1.54 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 0.00 156 G 9.16 3.75 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 0.00 0.00 0.00 157 A 8.03 4.38 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 0.00 158 Y 8.02 4.64 0.00 3.01 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 0.00 159 F 7.58 4.28 0.00 2.95 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 0.00 160 G 8.79 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 0.00 161 T 8.11 4.65 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 1.36 0.00 0.00 162 G 7.86 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 0.00 163 F 8.19 4.14 0.00 3.20 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 0.00 164 P 0.00 3.38 0.00 1.40 1.83 0.00 3.36 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.20 0.00 165 H 7.46 4.11 0.00 3.23 3.27 0.00 5.65 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 0.00 166 M 7.71 3.88 0.00 1.91 2.19 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 2.64 2.70 0.00 167 L 7.34 3.79 0.00 0.83 0.97 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 168 F 7.48 4.29 0.00 3.19 3.05 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 0.00 169 M 8.15 4.52 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 170 V 7.23 4.31 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 0.54 0.00 0.00 0.94 0.00 0.00 171 H 7.76 5.28 0.00 3.19 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.40 0.00 2.24 2.18 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 173 E 8.49 4.03 0.00 2.08 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 0.00 2.64 2.39 0.00 174 Y 8.26 4.39 0.00 3.35 3.43 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 0.00 175 R 8.23 3.76 0.00 1.93 1.83 0.00 3.20 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 176 P 0.00 4.63 0.00 2.06 2.13 0.00 3.55 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 177 K 8.25 4.23 0.00 1.73 1.73 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 178 R 8.29 4.07 0.00 1.77 1.87 0.00 3.26 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 179 P 0.00 4.19 0.00 2.07 2.28 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 180 A 8.72 4.15 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 0.00 181 N 7.91 5.15 0.00 2.95 2.88 0.00 0.00 6.60 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 0.00 182 Q 7.61 4.00 0.00 1.80 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 183 F 8.08 4.12 0.00 2.99 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 0.00 184 V 7.65 3.93 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 0.75 0.00 0.00 0.82 0.00 0.00 185 P 0.00 4.25 0.00 2.05 1.93 0.00 3.30 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 186 R 8.15 5.56 0.00 1.77 1.95 0.00 2.62 0.00 0.00 3.79 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 187 L 8.83 4.13 0.00 1.76 2.02 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 7.77 4.65 0.00 3.10 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 0.00 189 G 8.22 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 0.00 0.00 0.00 190 F 7.56 4.80 0.00 3.26 2.95 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 0.00 191 K 8.84 4.32 0.00 1.77 1.74 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 192 I 8.19 4.08 1.92 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 1.17 0.91 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.