NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4444 8.3344 116.7969 58.6532 64.4554 172.9916 -1 N 4.3614 8.6597 123.8478 55.2202 39.6402 176.0621 0 A 4.0828 8.5258 121.8709 52.2891 18.8981 178.8856 0 S 4.2328 8.5958 113.7709 58.0891 63.5981 175.6856 3 E 3.9313 8.2802 118.5316 59.4441 29.3897 178.1205 4 F 4.3337 8.4356 119.0999 61.5127 39.6529 176.3811 5 I 3.6113 7.4915 118.9309 61.8642 36.2676 177.1749 *7 N 4.6421 8.1130 118.2782 52.8602 40.7384 174.2540 8 N 4.9540 7.6002 114.1962 51.6503 38.9917 174.6279 9 L 4.2565 7.3211 119.2051 56.1479 43.4364 177.5990 10 E 3.7247 8.1558 118.4098 60.2075 29.2849 178.9156 11 Q 3.9728 7.8847 116.8000 59.4505 28.6488 178.7352 12 T 3.7285 7.6859 117.2094 66.2971 68.6100 176.1729 13 A 3.6894 7.8831 122.8415 55.1499 18.3733 179.9083 14 R 3.8805 8.0153 116.4773 59.4435 30.1655 179.4804 15 R 4.0108 8.2560 117.9946 59.2729 30.1331 179.1030 16 W 4.3886 8.6413 118.8603 59.8982 28.9828 178.5912 17 L 4.1212 8.0383 118.7121 57.8366 40.9959 179.4194 18 E 4.2091 8.2333 119.8269 59.0892 29.2318 179.2827 19 E 4.0254 8.7460 117.6046 58.9527 29.4668 178.5725 20 R 4.5635 7.7274 116.2458 55.7335 30.3234 177.1545 21 G 3.9340 8.2380 106.5324 45.4681 0.0000 173.6395 22 V 4.4069 8.4266 119.8482 60.9118 33.8136 174.8681 23 T 4.5992 8.0960 122.8370 61.6820 72.2625 175.7976 24 V 3.6549 8.2189 122.2474 66.0781 31.5298 178.1656 25 E 3.9274 8.1670 117.9522 59.5062 29.1971 179.0047 26 K 3.9053 8.0956 116.5162 59.8559 32.3681 178.9612 27 I 3.8777 7.8391 119.4486 64.3434 36.9933 178.1197 28 A 4.0382 8.5600 121.9377 55.5411 18.1357 179.5393 29 E 4.0132 8.6467 117.1922 59.4014 29.3791 179.6769 30 L 4.0595 8.1251 119.4220 57.6112 41.6805 179.3053 31 V 3.6547 7.9081 117.7785 66.4890 31.3175 176.6542 32 Y 4.1344 8.4335 119.0691 61.1606 38.3106 177.3391 33 Y 4.0329 8.3025 120.0826 61.2799 39.0077 178.5515 34 L 4.5286 8.5492 118.7369 56.8299 42.2145 178.2430 35 Q 4.7649 8.2635 115.9925 55.4968 29.7100 177.6555 36 S 4.0569 8.5849 117.1034 61.0622 62.6592 176.1331 37 K 3.8651 7.9349 121.7592 58.1144 32.0655 176.3151 38 Y 4.5179 7.7600 113.5556 58.4612 39.9528 176.0382 39 H 4.8978 7.6908 115.7293 53.1903 29.9479 171.9567 40 P 4.3458 0.0000 0.0000 64.9960 31.6943 177.0778 41 D 4.7455 7.9963 115.7135 52.9218 39.5545 175.9124 42 L 4.2142 7.9452 123.2472 55.7746 43.3421 176.5103 43 T 4.4575 8.1865 119.8634 61.6737 68.3775 176.1779 *45 E 4.1996 8.7965 116.6540 56.0600 31.2135 177.5980 46 E 4.2461 7.7115 119.9619 58.4767 29.4173 178.7136 47 C 4.1407 7.9988 116.6511 62.8402 28.4052 175.4509 48 I 3.6909 7.7803 120.7971 64.7574 36.4257 177.8671 49 E 4.0054 8.4613 119.4174 59.9061 29.1519 179.4772 50 N 4.4185 7.9413 116.1568 56.1078 38.6344 177.7642 51 V 3.6344 8.0476 119.8889 65.9665 31.6897 177.8000 52 N 4.3586 8.6316 116.7311 56.5469 38.1842 177.6242 53 R 4.0223 7.6834 117.7881 58.9581 30.3003 179.2103 54 V 3.9104 7.6009 118.1415 66.2299 31.5274 178.2001 55 I 3.8624 7.6909 117.8808 63.5137 36.9940 177.6051 56 S 4.5077 7.5678 113.1240 58.0753 63.5340 174.0260 57 K 4.2118 7.8893 124.7417 55.5831 32.9019 177.3310 58 R 4.5724 8.7325 125.4302 59.2338 29.8249 177.7052 59 E 3.8522 8.2041 117.2886 59.7386 29.3858 179.1940 60 V 3.5448 7.6777 116.9376 66.4248 31.5982 177.8240 61 Q 3.8929 8.1339 117.5693 59.2616 28.5732 179.0984 62 N 4.2161 8.4115 117.2021 56.2363 38.5662 177.3691 63 A 3.9943 8.0772 122.0933 55.0952 18.4599 179.6427 64 I 3.6811 8.3669 118.6061 64.6017 37.2298 178.4698 65 L 4.0223 8.0107 119.8552 58.2293 41.4552 179.8284 66 T 3.9426 7.9904 115.4629 66.6109 68.3702 176.9076 67 G 3.3344 8.1458 107.4604 47.8034 0.0000 175.6513 68 I 3.7670 8.0185 122.5438 64.1231 37.1789 177.9694 69 Q 3.8655 8.3431 120.4235 59.4922 28.7107 179.0764 70 L 3.9004 7.7175 119.4737 57.8180 41.6464 179.0481 71 D 4.4736 8.3161 119.0285 57.3630 40.7940 178.9100 72 K 3.8572 8.5637 119.0775 59.6262 32.0247 179.2832 73 L 3.9322 8.0055 118.6979 57.8681 41.4417 179.5571 74 A 4.1622 8.4691 121.0260 55.0153 17.9994 179.3640 75 E 3.9328 8.0821 117.4223 59.0288 29.7457 177.7306 76 D 4.8518 7.9438 116.8093 53.2521 41.7815 176.4816 77 G 4.0395 7.4070 106.2272 46.8760 0.0000 174.7457 78 R 4.3810 8.1500 115.9386 55.5672 30.4916 176.9192 79 L 4.4823 8.1688 119.2066 53.7184 43.2309 175.5992 80 D 4.8531 8.0983 119.1653 52.8788 42.3742 176.5265 81 E 4.3367 8.4464 122.0193 55.9266 30.3068 175.8025 82 P 4.5888 0.0000 0.0000 63.1773 31.7506 177.7265 83 L 3.8120 7.7352 121.5550 58.3472 42.0131 177.9752 84 Q 3.9249 8.0803 119.7700 59.7475 28.8568 179.3037 85 S 4.0949 8.2418 115.6463 61.5500 62.8129 176.5535 86 I 3.5543 7.6546 122.5264 64.2859 36.7607 178.4447 87 I 3.6801 7.8510 120.5335 63.8518 37.0771 178.2810 88 R 3.8403 7.8227 118.5851 59.4025 29.9680 177.2645 89 R 4.2480 8.4507 114.3659 55.1737 30.2645 175.9193 90 D 4.2304 7.8244 116.6494 54.3382 40.2130 173.4528 91 E 3.8793 8.2447 119.0661 56.5465 30.4601 178.0678 92 G 3.7206 8.7173 113.5475 47.9083 0.0000 174.1714 93 L 4.4677 9.4264 118.5984 54.4382 42.0974 175.4730 94 Y 4.4383 7.7481 120.3946 56.9306 39.1139 175.1243 95 G 3.9310 8.0459 114.3605 45.0265 0.0000 174.5785 96 V 3.4811 6.2686 121.0870 65.5486 31.4223 177.6426 97 D 4.3145 7.3924 118.7090 56.2987 39.2344 178.2369 98 E 4.2116 7.8538 119.4537 58.9043 29.3759 179.0559 99 I 3.6840 7.8859 119.7976 64.4053 37.0522 178.1302 100 L 4.1491 8.0706 119.6376 57.6134 41.3234 179.5081 101 A 3.9048 7.8702 120.6642 55.0313 18.2547 179.3939 102 L 3.9084 8.0769 119.1769 58.2020 41.8237 179.2760 103 S 4.1609 7.4872 112.8330 60.7890 63.3019 176.4209 104 I 3.8284 7.8307 124.2192 64.1862 37.0261 178.1156 105 V 3.4721 7.5793 118.4956 66.2872 31.2556 177.5955 106 N 4.1174 8.3244 116.0201 55.9724 38.0415 177.1640 107 V 3.4778 7.3099 119.1144 65.1693 31.3439 175.9630 108 Y 4.5006 7.8482 114.4862 57.2941 38.5451 176.0534 109 G 3.9159 8.2064 107.4765 44.6653 0.0000 174.4088 110 S 3.7501 8.2851 111.4666 60.0359 63.6252 176.3061 111 I 3.6251 7.8915 121.2916 64.1441 37.9693 176.7810 112 G 3.8091 7.8578 106.5443 46.6586 0.0000 175.1702 113 F 4.5493 8.1011 120.1642 61.0642 39.0216 177.2522 114 T 3.9852 8.1997 112.1202 65.5548 67.0466 175.6519 115 N 4.6053 8.2747 117.8845 56.2632 38.5916 176.7032 116 Y 4.2290 8.1735 121.1278 60.7408 38.7693 178.2340 117 G 3.4048 8.0076 105.4047 47.6734 0.0000 174.7744 118 Y 4.3943 8.1168 121.8249 60.8131 38.9225 178.1374 119 I 3.1993 8.0388 119.7534 63.5360 37.7487 176.7100 120 D 4.2890 7.7163 116.2329 54.3127 40.6676 175.7101 121 K 4.3505 7.4372 115.6384 58.0189 34.3341 177.8490 122 Q 3.9059 7.9449 115.5948 57.1373 29.2106 176.8923 123 K 3.6512 7.5143 115.8350 56.7845 29.7783 172.4192 124 P 4.4617 0.0000 0.0000 63.6579 34.8193 177.8861 125 G 4.1038 8.3564 106.7667 45.6810 0.0000 176.5001 126 I 3.7749 8.4861 117.4342 64.1131 37.1367 177.6695 127 L 3.9482 7.6286 120.1346 57.9852 41.2237 179.3486 128 Q 3.9537 7.8534 118.1940 59.2771 29.2593 177.6170 129 Y 4.2534 7.8715 119.8833 60.9030 38.8697 177.6186 130 L 3.5677 8.1313 118.8947 57.3545 41.7337 178.3833 131 N 4.4621 8.5441 115.3836 55.6879 39.2970 177.9771 132 D 4.0602 7.7582 117.9038 55.4453 42.6896 177.1624 133 K 4.1068 7.9991 115.8773 56.6664 30.9339 176.5102 134 S 4.6462 9.1679 113.8548 58.3682 64.3633 175.6343 135 T 4.0000 8.1346 109.9909 62.4141 68.4327 174.8163 136 G 3.9071 7.9177 110.0219 45.9883 0.0000 173.3053 137 K 4.6460 7.4608 117.2878 54.1957 34.3060 175.3577 138 C 4.4408 8.3409 123.6755 58.8900 32.0319 172.9191 139 N 5.2842 8.4040 124.8485 52.6323 39.8797 176.6889 140 T 3.9389 8.5605 116.9087 66.9062 68.7990 175.5078 141 F 4.1710 9.2827 119.5854 60.1648 39.2185 177.5369 142 L 4.0282 9.0331 120.3559 58.5377 41.8302 178.0815 143 D 4.3898 8.3185 117.6861 58.1033 41.0204 178.4401 144 D 4.5927 8.1130 118.5662 57.3989 40.8838 178.7682 145 I 3.9333 8.0105 113.6921 63.6933 37.6327 178.6077 146 V 3.6982 8.3745 120.7147 65.7418 31.4302 178.0889 147 G 3.7647 8.1376 105.1599 47.9307 0.0000 175.3221 148 A 4.0168 8.5609 123.9490 54.8215 18.3039 179.7301 149 I 3.6377 8.0860 118.1182 64.6640 37.1929 178.2776 150 A 3.9688 8.2365 121.3240 55.5481 18.1043 179.5229 151 A 4.0378 8.1447 118.5776 54.7658 18.4055 179.7751 152 A 4.0115 8.1317 119.4800 54.9836 18.6563 179.4312 153 A 3.8168 8.6558 119.7440 55.4400 18.4673 179.4279 154 S 3.9814 8.2773 111.8070 61.9137 62.3128 176.4820 155 S 3.9958 7.9212 115.4040 61.2219 62.1979 176.0864 156 R 3.4279 7.8523 121.6836 59.0921 29.6882 177.8979 157 L 3.8133 8.1954 120.2597 58.5340 41.7447 178.4615 158 A 3.8964 7.8712 118.8305 55.5976 18.3767 178.9125 159 H 4.0250 8.2942 114.2513 58.9790 28.9126 177.7446 160 R 4.0939 7.6680 118.3378 58.9176 30.3208 176.9761 161 A 4.2787 7.9008 123.4987 52.4831 18.5262 176.9507 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 S 8.33 4.44 0.00 3.90 3.90 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 -1 N 8.66 4.36 0.00 2.80 2.80 0.00 0.00 7.09 7.31 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 A 8.53 4.08 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 0 S 8.60 4.23 0.00 3.72 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 3 E 8.28 3.93 0.00 2.03 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 2.35 2.40 0.00 4 F 8.44 4.33 0.00 2.96 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 5 I 7.49 3.61 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 0.82 0.00 0.00 *7 N 8.11 4.64 0.00 2.78 2.86 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.60 4.95 0.00 2.18 2.46 0.00 0.00 6.87 7.21 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 9 L 7.32 4.26 0.00 1.73 1.49 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.16 3.72 0.00 1.96 1.86 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 2.35 2.37 0.00 11 Q 7.88 3.97 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 12 T 7.69 3.73 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 0.65 0.00 0.00 13 A 7.88 3.69 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 14 R 8.02 3.88 0.00 2.07 2.01 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 15 R 8.26 4.01 0.00 2.18 2.13 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 16 W 8.64 4.39 0.00 3.42 3.28 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 17 L 8.04 4.12 0.00 2.01 1.92 0.96 0.95 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 18 E 8.23 4.21 0.00 2.24 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 2.37 2.56 0.00 19 E 8.75 4.03 0.00 2.07 1.99 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 2.35 2.52 0.00 20 R 7.73 4.56 0.00 2.00 2.02 0.00 3.37 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 21 G 8.24 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.41 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 1.04 0.00 0.00 23 T 8.10 4.60 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 1.24 0.00 0.00 24 V 8.22 3.65 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 1.11 0.00 0.00 0.95 0.00 0.00 25 E 8.17 3.93 0.00 2.05 1.99 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 2.40 2.41 0.00 26 K 8.10 3.91 0.00 1.88 1.92 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.51 7.81 27 I 7.84 3.88 2.04 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 1.50 0.83 0.95 0.00 0.00 28 A 8.56 4.04 1.44 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 0.00 0.00 29 E 8.65 4.01 0.00 2.27 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 0.00 2.33 2.46 0.00 30 L 8.13 4.06 0.00 1.83 1.65 0.90 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 31 V 7.91 3.65 2.33 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 1.16 0.00 0.00 1.01 0.00 0.00 32 Y 8.43 4.13 0.00 3.16 3.31 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 33 Y 8.30 4.03 0.00 3.14 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 34 L 8.55 4.53 0.00 1.93 1.85 1.00 1.03 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 35 Q 8.26 4.76 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 36 S 8.58 4.06 0.00 3.37 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 37 K 7.93 3.87 0.00 1.48 1.53 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.51 1.08 7.81 38 Y 7.76 4.52 0.00 2.89 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 39 H 7.69 4.90 0.00 3.19 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.85 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 4.35 0.00 2.04 2.10 0.00 3.66 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 1.98 2.01 0.00 41 D 8.00 4.75 0.00 2.82 2.79 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 0.00 0.00 0.00 42 L 7.95 4.21 0.00 1.86 1.84 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.19 4.46 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 1.24 0.00 0.00 *45 E 8.80 4.20 0.00 2.05 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 2.28 2.31 0.00 46 E 7.71 4.25 0.00 2.04 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 2.30 2.21 0.00 47 C 8.00 4.14 0.00 3.06 3.13 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 48 I 7.78 3.69 2.04 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 1.65 0.59 0.92 0.00 0.00 49 E 8.46 4.01 0.00 2.12 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 2.34 2.64 0.00 50 N 7.94 4.42 0.00 2.81 2.80 0.00 0.00 6.65 8.54 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 51 V 8.05 3.63 2.21 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 1.06 0.00 0.00 0.96 0.00 0.00 52 N 8.63 4.36 0.00 2.90 2.86 0.00 0.00 7.04 7.40 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 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0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 62 N 8.41 4.22 0.00 2.85 2.82 0.00 0.00 6.95 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 63 A 8.08 3.99 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 64 I 8.37 3.68 1.94 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 1.55 0.82 0.98 0.00 0.00 65 L 8.01 4.02 0.00 1.54 1.59 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.99 3.94 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 1.11 0.00 0.00 67 G 8.15 3.33 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 0.00 68 I 8.02 3.77 2.30 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.95 0.00 0.00 69 Q 8.34 3.87 0.00 2.45 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 70 L 7.72 3.90 0.00 1.27 1.50 0.34 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.32 4.47 0.00 2.88 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 72 K 8.56 3.86 0.00 1.91 1.76 0.00 1.40 0.00 0.00 1.51 0.00 0.00 2.60 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.32 1.40 7.81 73 L 8.01 3.93 0.00 1.81 1.70 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.47 4.16 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 75 E 8.08 3.93 0.00 2.20 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 2.31 2.34 0.00 76 D 7.94 4.85 0.00 2.67 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 77 G 7.41 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 0.00 0.00 0.00 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0.00 103 S 7.49 4.16 0.00 4.05 3.97 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 I 7.83 3.83 1.95 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 1.38 0.86 0.89 0.00 0.00 105 V 7.58 3.47 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 0.53 0.00 0.00 0.77 0.00 0.00 106 N 8.32 4.12 0.00 2.85 2.82 0.00 0.00 6.69 7.79 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 0.00 107 V 7.31 3.48 2.24 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 0.25 0.00 0.00 0.84 0.00 0.00 108 Y 7.85 4.50 0.00 2.95 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 0.00 109 G 8.21 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 0.00 110 S 8.29 3.75 0.00 4.32 4.41 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 0.00 111 I 7.89 3.63 1.83 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 1.24 0.64 0.88 0.00 0.00 112 G 7.86 3.81 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 0.00 0.00 0.00 113 F 8.10 4.55 0.00 3.38 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 0.00 114 T 8.20 3.99 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 1.33 0.00 0.00 115 N 8.27 4.61 0.00 2.90 2.98 0.00 0.00 6.78 7.48 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 0.00 116 Y 8.17 4.23 0.00 3.17 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 0.00 117 G 8.01 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 0.00 0.00 0.00 118 Y 8.12 4.39 0.00 3.08 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 0.00 119 I 8.04 3.20 1.74 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 1.10 0.63 0.91 0.00 0.00 120 D 7.72 4.29 0.00 2.00 2.22 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 0.00 121 K 7.44 4.35 0.00 1.88 1.74 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 122 Q 7.94 3.91 0.00 1.64 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.78 0.00 0.00 0.00 0.00 0.00 2.23 1.55 0.00 123 K 7.51 3.65 0.00 1.80 1.78 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.33 7.81 124 P 0.00 4.46 0.00 2.03 2.03 0.00 3.45 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.80 0.00 125 G 8.36 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 0.00 0.00 0.00 0.00 126 I 8.49 3.77 1.98 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 1.69 0.98 1.00 0.00 0.00 127 L 7.63 3.95 0.00 1.83 1.74 0.81 0.74 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 0.00 128 Q 7.85 3.95 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 129 Y 7.87 4.25 0.00 3.10 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 0.00 130 L 8.13 3.57 0.00 1.71 1.68 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.54 4.46 0.00 2.90 2.78 0.00 0.00 7.18 7.97 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 0.00 132 D 7.76 4.06 0.00 2.78 2.52 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 0.00 133 K 8.00 4.11 0.00 2.03 2.26 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.32 7.81 134 S 9.17 4.65 0.00 3.92 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 0.00 135 T 8.13 4.00 4.36 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 1.38 0.00 0.00 136 G 7.92 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 0.00 0.00 0.00 137 K 7.46 4.65 0.00 1.72 1.70 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.58 7.81 138 C 8.34 4.44 0.00 2.96 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 0.00 139 N 8.40 5.28 0.00 2.83 2.69 0.00 0.00 7.11 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 0.00 140 T 8.56 3.94 4.39 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 1.09 0.00 0.00 141 F 9.28 4.17 0.00 3.49 3.20 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 0.00 0.00 0.00 0.00 142 L 9.03 4.03 0.00 1.91 1.75 1.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.32 4.39 0.00 2.88 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 0.00 144 D 8.11 4.59 0.00 3.00 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 0.00 145 I 8.01 3.93 1.93 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 1.51 0.73 1.12 0.00 0.00 146 V 8.37 3.70 2.34 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 1.04 0.00 0.00 1.02 0.00 0.00 147 G 8.14 3.76 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 0.00 0.00 0.00 148 A 8.56 4.02 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 0.00 149 I 8.09 3.64 2.05 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 1.48 1.09 0.95 0.00 0.00 150 A 8.24 3.97 1.44 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 0.00 0.00 151 A 8.14 4.04 1.61 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 0.00 0.00 152 A 8.13 4.01 1.51 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 0.00 0.00 153 A 8.66 3.82 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 0.00 154 S 8.28 3.98 0.00 4.03 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 0.00 155 S 7.92 4.00 0.00 4.00 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 0.00 156 R 7.85 3.43 0.00 0.67 1.73 0.00 2.60 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.00 157 L 8.20 3.81 0.00 1.67 1.87 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.87 3.90 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 0.00 159 H 8.29 4.02 0.00 3.21 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.67 4.09 0.00 1.96 1.95 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 161 A 7.90 4.28 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 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.