NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2569 8.1593 117.3738 63.5714 69.6049 174.1772 2 S 4.4190 8.3681 122.2506 55.8954 66.5205 173.2075 3 K 4.0510 9.1265 122.7874 59.7233 32.2286 179.7201 4 K 3.9216 8.0749 118.2628 59.5200 31.7465 178.9973 5 K 4.0531 7.6139 117.2804 58.6535 32.1731 178.0694 6 R 4.3910 7.5518 116.0719 56.3026 30.5751 177.2140 7 Q 3.9525 7.8196 119.8434 58.1017 29.0798 176.2685 8 R 4.0543 7.8182 117.0629 58.5721 30.0005 176.4806 9 G 4.0933 9.0444 111.4281 45.4459 0.0000 173.9672 10 S 4.2079 8.0277 113.1434 58.2081 63.2303 173.5802 11 R 4.0809 7.6948 123.5015 57.6779 29.3746 176.5548 12 T 4.1747 7.5622 105.8065 62.0325 69.6579 174.4094 13 H 4.5342 8.3557 117.8655 55.7960 26.7851 175.7651 14 G 3.9629 8.4312 105.6779 45.5276 0.0000 175.8863 15 G 3.6560 8.1479 108.4535 46.4928 0.0000 174.7471 16 G 4.0182 7.0713 107.7215 44.8233 0.0000 176.6321 17 S 4.3134 8.5653 119.0069 57.8820 62.6298 173.9485 18 H 4.5224 8.7483 120.0093 56.9662 28.5304 175.9097 19 K 4.1362 7.6843 119.0125 56.9052 31.7528 177.5295 20 N 4.3505 7.3570 117.1314 55.8018 39.3536 176.9136 21 R 4.5190 7.5052 119.4448 56.3222 29.1164 177.0509 22 R 4.6170 7.2416 122.3126 56.3708 30.4062 180.6539 23 G 4.0732 8.4960 119.9813 45.3626 0.0000 173.1149 24 A 4.3570 8.5874 122.3171 53.6584 18.7033 179.7574 25 G 3.7572 7.9714 104.7580 47.6971 0.0000 175.4097 26 H 4.4013 7.9070 119.1367 58.4284 29.9580 176.5837 27 R 4.3831 7.8991 117.3673 55.3303 30.5977 176.4423 28 G 3.7476 7.5921 106.4861 46.9994 0.0000 173.0453 29 G 3.8942 8.2078 105.2072 43.9123 0.0000 174.2764 30 R 4.3385 8.5947 117.9408 56.0371 32.0722 176.4928 31 G 3.9538 8.1978 110.9870 47.5052 0.0000 173.6049 32 D 4.7530 8.6008 122.4690 53.9147 40.8558 175.6409 33 A 3.9992 7.4223 122.4450 53.6723 18.8570 178.6733 34 G 3.8365 8.9311 109.6576 46.4109 0.0000 175.5864 35 R 4.0046 7.5644 115.8100 57.4843 29.3713 177.1800 36 D 5.0539 7.9437 116.0216 52.6031 41.3508 175.3818 37 K 4.4393 8.5904 116.3610 57.6328 33.2395 176.7945 38 H 4.6517 9.4095 123.2009 57.9800 29.2511 176.5287 39 E 4.7620 7.6736 120.3659 55.5807 29.8406 177.9974 40 F 4.9674 8.2152 115.3985 59.2641 38.4876 175.1391 41 H 3.6843 6.3141 115.1395 57.3477 28.7308 174.4275 42 N 4.2177 8.7037 118.7468 54.3886 36.2146 173.4119 43 H 4.8559 7.5202 113.5111 53.8319 30.5667 174.9469 44 E 4.1662 8.6125 123.0907 55.2658 29.9797 175.3745 45 P 4.4160 0.0000 0.0000 62.6379 31.8368 176.2296 46 L 4.0388 8.1818 119.9859 55.5694 42.1500 175.8958 47 G 4.1503 8.2048 106.5401 43.6881 0.0000 173.1442 48 K 4.5559 8.2343 119.1474 54.6059 33.7982 176.4983 49 S 4.4430 8.0597 116.4057 57.3718 65.2696 175.1133 50 G 4.0830 9.0005 117.8456 45.2334 0.0000 171.8212 51 F 5.0416 8.5755 112.6113 55.2340 41.1118 173.5081 52 K 4.2794 8.3318 119.6980 54.4785 34.8049 176.3528 53 R 4.4637 7.9546 121.4287 53.9743 31.6171 174.7532 54 P 4.3147 0.0000 0.0000 63.0159 31.9331 177.2219 55 Q 3.9331 8.9448 121.2684 58.8415 28.7274 178.5506 56 K 4.3740 7.9654 113.8521 57.2520 33.1401 177.0666 57 V 4.1595 7.8036 118.3805 62.7616 32.2830 174.9498 58 Q 4.3851 7.5012 117.5610 55.4457 29.1461 175.0117 59 E 4.3712 8.5779 122.9689 55.1088 31.0123 175.3360 60 E 4.5003 8.4836 122.9686 54.3850 32.0199 174.2197 61 A 4.3582 8.2667 128.8405 50.6342 20.5632 176.0990 62 A 4.3980 8.7408 124.7490 51.1652 19.8962 176.6466 63 T 5.0754 8.2185 112.5469 60.2605 71.4167 174.2382 64 I 4.4974 7.7881 121.7848 60.1868 41.7510 173.5315 65 D 5.1501 8.6923 128.6618 53.4861 42.2082 177.9617 66 V 3.7182 8.2930 115.7223 64.4432 31.4041 179.1496 67 R 3.8927 7.6317 117.4274 59.3999 29.7054 178.1983 68 E 3.9672 7.8343 117.6464 59.0357 29.8913 178.7293 69 I 3.8223 7.5949 119.5257 64.4937 37.5468 177.7365 70 D 4.2831 8.1337 118.7344 57.2871 40.7736 177.9495 71 E 4.2401 8.1255 118.1343 57.9085 29.8383 177.2359 72 N 4.9526 7.5668 115.1657 52.9265 39.4152 177.0077 73 V 3.3288 7.7447 114.4291 64.5686 31.6062 177.9917 74 T 4.0232 7.4891 108.2730 64.1184 68.9732 175.5358 75 L 4.1376 7.7251 120.9126 56.6156 42.2553 177.1104 76 L 4.4164 7.3798 120.4246 54.0357 40.8534 177.7954 77 A 4.2220 7.7013 120.1282 54.0003 19.1111 178.6158 78 A 4.2469 7.9409 117.0453 52.8489 18.6313 176.1817 79 D 5.1002 7.2587 114.7685 51.8762 44.3092 175.3151 80 D 4.4774 8.4983 119.4385 54.8117 41.1438 176.1824 81 V 4.1345 8.1376 123.7774 61.0327 31.4514 175.3997 82 A 4.4588 7.7556 130.8590 50.8710 20.4806 177.6079 83 E 3.9083 8.6420 113.1008 58.6494 29.8720 176.7485 *89 F 4.5819 7.7435 118.5221 57.5564 40.8957 173.7298 90 R 5.1354 8.7935 122.7139 54.5409 32.3818 174.9416 91 V 4.5035 8.6910 125.6754 60.0049 35.2271 174.2031 92 D 4.7193 8.7597 124.5943 52.9546 41.4515 176.7992 93 V 3.6591 8.4170 128.0054 66.0087 31.7041 178.3000 94 R 3.9889 8.1674 117.5324 58.4288 29.8995 177.3898 95 D 4.7086 7.7096 116.0284 54.4305 41.4950 178.0036 96 V 3.9030 7.4700 118.8462 64.0619 32.4490 176.4602 97 V 3.6789 7.2154 117.0858 62.7672 32.2581 175.2484 98 E 4.2717 8.5442 125.8740 56.6094 30.5390 176.7533 99 E 3.6307 8.7528 117.3772 57.2873 27.1241 175.5088 100 A 4.3786 7.5134 119.3529 52.8680 18.2281 178.7470 101 D 4.5691 7.7537 118.8891 57.6445 41.3778 177.7068 102 D 4.5660 7.9538 114.3313 53.4481 39.9360 175.8960 103 A 4.4194 7.4790 122.7908 51.3780 20.1504 177.1305 104 D 4.6818 8.7721 122.1430 57.3032 41.7727 175.8602 105 Y 4.9401 7.4403 114.1199 55.9139 42.0675 173.2900 106 V 4.6949 9.1011 120.6304 61.2017 33.5575 174.2080 107 K 4.9500 9.0728 129.7384 54.5709 34.7133 174.5728 108 V 4.5384 8.1532 127.2054 61.4894 33.1503 174.6512 109 L 4.5088 9.2349 128.4203 52.8089 44.0194 176.9861 110 G 4.2394 7.7529 108.5742 45.2871 0.0000 173.6729 111 A 4.6569 7.6394 122.5146 51.4390 21.4727 175.9214 112 G 3.7636 8.7604 108.6614 44.6054 0.0000 172.5059 113 Q 4.5329 8.2357 116.7944 54.4620 30.4680 176.2252 114 V 4.4398 7.7848 118.6118 60.3309 31.7796 174.9075 115 R 4.3782 8.6818 122.0986 56.1193 30.2118 175.7902 116 H 4.9289 7.8952 114.4482 53.7877 32.6276 172.7864 117 E 4.5157 8.8183 119.2127 55.5616 29.6227 175.2274 118 L 5.0308 8.4554 124.8500 53.3507 45.2180 176.1031 119 T 4.9640 8.6026 118.7387 60.9351 70.8043 172.2150 120 L 5.2082 8.3708 126.3932 53.1849 44.3864 175.5687 121 I 5.3546 8.5910 124.3676 59.0757 39.0652 174.5997 122 A 4.8139 8.6027 127.3577 50.5806 22.1786 176.3698 123 D 4.4094 8.7427 118.7422 57.2092 42.1230 176.3024 124 D 4.8792 8.0870 115.9287 52.8140 45.1019 174.3298 125 F 5.3965 8.7337 121.0562 55.8938 43.4005 174.2540 126 S 4.7336 8.3888 115.1183 56.7837 64.9911 174.9273 127 E 3.9987 8.8886 120.5617 58.9017 29.8298 178.6367 128 G 3.7222 8.0730 106.6691 47.1956 0.0000 175.4312 129 A 4.2355 7.8214 122.0498 54.7931 18.3295 179.9296 130 R 3.7182 7.8975 116.3651 59.5252 30.5884 178.4362 131 E 4.0146 7.8200 117.9417 59.8191 29.2706 179.7812 132 K 4.1121 7.5976 115.6950 58.5945 31.9938 178.9566 133 V 3.9416 7.2356 118.0942 65.2069 31.2249 177.9258 134 E 4.3287 8.2725 118.2007 58.5458 29.4999 178.7966 135 G 3.7585 7.9441 105.1409 46.7172 0.0000 173.8192 136 A 4.5815 7.4790 121.6388 51.7362 19.7202 175.8669 137 G 3.6252 8.5211 106.1120 46.2176 0.0000 172.7708 138 G 4.2351 7.0707 107.9261 46.1519 0.0000 170.2653 139 S 4.8436 8.3649 113.2636 56.2687 66.6854 173.4575 140 V 4.1214 8.1448 120.2376 61.1787 33.7051 174.2593 141 E 4.6342 8.9927 128.4442 54.5234 31.6066 175.0018 142 L 5.0306 8.4768 126.9825 54.5066 43.4888 176.4260 143 T 4.3602 8.2533 122.2456 63.0253 69.6987 175.4718 144 D 4.3965 8.6735 121.8954 57.2115 41.0556 178.3926 145 L 4.2650 7.9340 120.8943 57.5069 42.0571 178.0462 146 G 3.8345 7.4303 104.2791 44.7311 0.0000 173.2715 147 E 4.4213 7.5882 120.7389 56.6427 29.2422 176.9342 148 E 4.5037 7.7493 117.1482 56.9026 31.9392 178.3386 149 R 4.2883 7.6993 118.4566 54.5198 27.7845 176.2233 150 Q 4.1851 7.6447 121.6976 56.6035 28.8908 173.4560 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 T 8.16 4.26 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 2 S 8.37 4.42 0.00 4.09 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 3 K 9.13 4.05 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.07 3.92 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.51 7.81 5 K 7.61 4.05 0.00 1.77 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 6 R 7.55 4.39 0.00 1.94 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 7 Q 7.82 3.95 0.00 1.90 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 8 R 7.82 4.05 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.04 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.03 4.21 0.00 3.98 3.96 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 11 R 7.69 4.08 0.00 1.97 2.03 0.00 3.21 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.56 4.17 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 1.32 0.00 0.00 13 H 8.36 4.53 0.00 3.24 3.40 0.00 5.66 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 14 G 8.43 3.96 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 0.00 0.00 0.00 15 G 8.15 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 16 G 7.07 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 0.00 0.00 0.00 0.00 17 S 8.57 4.31 0.00 3.87 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 18 H 8.75 4.52 0.00 3.31 3.38 0.00 5.57 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 19 K 7.68 4.14 0.00 1.75 1.81 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.35 7.81 20 N 7.36 4.35 0.00 2.86 2.59 0.00 0.00 6.95 7.14 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 21 R 7.51 4.52 0.00 1.81 1.93 0.00 3.20 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 22 R 7.24 4.62 0.00 1.76 1.02 0.00 3.25 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 23 G 8.50 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 24 A 8.59 4.36 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 25 G 7.97 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 26 H 7.91 4.40 0.00 3.19 3.45 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.90 4.38 0.00 2.09 1.95 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 28 G 7.59 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 29 G 8.21 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 30 R 8.59 4.34 0.00 1.89 1.86 0.00 3.26 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 31 G 8.20 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 32 D 8.60 4.75 0.00 2.73 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 33 A 7.42 4.00 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 34 G 8.93 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 35 R 7.56 4.00 0.00 1.71 2.04 0.00 2.74 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 36 D 7.94 5.05 0.00 2.74 2.73 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 37 K 8.59 4.44 0.00 1.78 1.69 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.51 7.81 38 H 9.41 4.65 0.00 3.33 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.67 4.76 0.00 2.06 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 2.28 2.15 0.00 40 F 8.22 4.97 0.00 3.23 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 41 H 6.31 3.68 0.00 2.90 3.03 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.70 4.22 0.00 2.79 2.83 0.00 0.00 6.96 8.16 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 43 H 7.52 4.86 0.00 3.43 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.61 4.17 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 2.33 2.31 0.00 45 P 0.00 4.42 0.00 2.19 2.09 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.18 4.04 0.00 1.66 1.65 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.20 4.15 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 0.00 0.00 0.00 48 K 8.23 4.56 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.06 4.44 0.00 3.77 3.70 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 50 G 9.00 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 0.00 0.00 0.00 51 F 8.58 5.04 0.00 3.12 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 52 K 8.33 4.28 0.00 1.67 1.62 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.34 7.81 53 R 7.95 4.46 0.00 1.70 1.84 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.34 0.00 54 P 0.00 4.31 0.00 2.22 2.21 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 8.94 3.93 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.97 4.37 0.00 1.86 1.92 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 7.80 4.16 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.50 4.39 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 59 E 8.58 4.37 0.00 1.99 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 2.32 2.32 0.00 60 E 8.48 4.50 0.00 1.94 1.71 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 2.15 2.20 0.00 61 A 8.27 4.36 0.45 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 62 A 8.74 4.40 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 63 T 8.22 5.08 4.20 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 1.15 0.00 0.00 64 I 7.79 4.50 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 1.32 1.27 0.91 0.00 0.00 65 D 8.69 5.15 0.00 2.74 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 66 V 8.29 3.72 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 0.98 0.00 0.00 1.00 0.00 0.00 67 R 7.63 3.89 0.00 2.02 2.00 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 68 E 7.83 3.97 0.00 1.99 2.04 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 2.30 2.33 0.00 69 I 7.59 3.82 1.99 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 1.51 0.95 0.89 0.00 0.00 70 D 8.13 4.28 0.00 2.94 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 71 E 8.13 4.24 0.00 2.02 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 2.33 2.49 0.00 72 N 7.57 4.95 0.00 2.66 2.71 0.00 0.00 6.85 8.23 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 73 V 7.74 3.33 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 0.00 0.00 0.41 0.00 0.00 0.37 0.00 0.00 74 T 7.49 4.02 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 1.22 0.00 0.00 75 L 7.73 4.14 0.00 1.75 1.74 0.94 0.94 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 76 L 7.38 4.42 0.00 1.87 1.60 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.70 4.22 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 78 A 7.94 4.25 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 79 D 7.26 5.10 0.00 2.86 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 80 D 8.50 4.48 0.00 3.04 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 81 V 8.14 4.13 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 0.49 0.00 0.00 1.02 0.00 0.00 82 A 7.76 4.46 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 83 E 8.64 3.91 0.00 2.05 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 2.26 2.32 0.00 *89 F 7.74 4.58 0.00 3.29 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 90 R 8.79 5.14 0.00 1.85 1.82 0.00 3.23 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.69 4.50 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 0.83 0.00 0.00 0.99 0.00 0.00 92 D 8.76 4.72 0.00 2.80 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 93 V 8.42 3.66 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 0.85 0.00 0.00 0.97 0.00 0.00 94 R 8.17 3.99 0.00 1.83 1.99 0.00 3.26 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 95 D 7.71 4.71 0.00 2.78 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 96 V 7.47 3.90 2.15 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 0.79 0.00 0.00 0.94 0.00 0.00 97 V 7.22 3.68 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 0.82 0.00 0.00 0.98 0.00 0.00 98 E 8.54 4.27 0.00 2.05 1.82 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 2.36 2.30 0.00 99 E 8.75 3.63 0.00 2.16 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 2.26 2.27 0.00 100 A 7.51 4.38 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 0.00 101 D 7.75 4.57 0.00 2.65 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 0.00 102 D 7.95 4.57 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 0.00 103 A 7.48 4.42 1.22 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 0.00 0.00 104 D 8.77 4.68 0.00 2.66 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 0.00 105 Y 7.44 4.94 0.00 3.00 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 0.00 106 V 9.10 4.69 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 0.86 0.00 0.00 0.92 0.00 0.00 107 K 9.07 4.95 0.00 1.97 1.59 0.00 1.97 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.50 7.81 108 V 8.15 4.54 1.69 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 1.00 0.00 0.00 0.58 0.00 0.00 109 L 9.23 4.51 0.00 1.76 1.56 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.75 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 0.00 0.00 0.00 0.00 111 A 7.64 4.66 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 0.00 112 G 8.76 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 0.00 113 Q 8.24 4.53 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 114 V 7.78 4.44 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 1.15 0.00 0.00 0.96 0.00 0.00 115 R 8.68 4.38 0.00 1.82 1.88 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 116 H 7.90 4.93 0.00 3.22 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.82 4.52 0.00 2.14 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 0.00 2.30 2.41 0.00 118 L 8.46 5.03 0.00 1.66 1.65 0.94 0.68 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 0.00 119 T 8.60 4.96 4.29 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 1.23 0.00 0.00 120 L 8.37 5.21 0.00 1.91 1.85 1.12 0.81 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 0.00 121 I 8.59 5.35 2.12 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 1.17 2.27 1.02 0.00 0.00 122 A 8.60 4.81 0.76 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 0.00 123 D 8.74 4.41 0.00 2.85 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 0.00 124 D 8.09 4.88 0.00 2.64 2.51 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 0.00 125 F 8.73 5.40 0.00 2.90 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 0.00 126 S 8.39 4.73 0.00 3.97 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 0.00 127 E 8.89 4.00 0.00 2.05 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 0.00 2.39 2.32 0.00 128 G 8.07 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 0.00 129 A 7.82 4.24 1.60 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 0.00 130 R 7.90 3.72 0.00 1.86 1.93 0.00 3.13 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 131 E 7.82 4.01 0.00 2.01 2.04 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 2.34 2.54 0.00 132 K 7.60 4.11 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 133 V 7.24 3.94 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 1.05 0.00 0.00 1.07 0.00 0.00 134 E 8.27 4.33 0.00 2.18 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 2.29 2.28 0.00 135 G 7.94 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 0.00 136 A 7.48 4.58 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 0.00 137 G 8.52 3.63 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 0.00 0.00 0.00 138 G 7.07 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 0.00 0.00 0.00 0.00 139 S 8.36 4.84 0.00 3.81 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 0.00 140 V 8.14 4.12 1.71 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 -0.33 0.00 0.00 0.35 0.00 0.00 141 E 8.99 4.63 0.00 1.98 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 2.22 2.21 0.00 142 L 8.48 5.03 0.00 1.68 1.59 1.25 1.11 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 0.00 143 T 8.25 4.36 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 1.23 0.00 0.00 144 D 8.67 4.40 0.00 2.65 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 0.00 145 L 7.93 4.27 0.00 1.72 1.79 0.95 1.23 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 0.00 146 G 7.43 3.83 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 0.00 0.00 0.00 147 E 7.59 4.42 0.00 2.22 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 2.49 0.00 148 E 7.75 4.50 0.00 1.83 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 2.17 2.41 0.00 149 R 7.70 4.29 0.00 1.79 1.90 0.00 3.26 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 150 Q 7.64 4.19 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.