NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4269 8.3049 120.3258 55.4154 32.6004 174.2392 2 Q 4.5503 8.4594 121.8657 53.4361 32.3606 173.3501 3 R 4.6156 8.5311 117.7918 54.3838 33.3589 175.5596 4 V 4.3033 8.3097 121.5131 61.1925 33.9076 174.4758 5 T 4.5007 8.5332 123.7014 61.9293 69.6118 173.7157 6 I 4.5002 8.1556 127.0950 59.5589 39.8625 175.2366 7 T 4.4053 8.3861 121.4835 62.4887 69.3421 174.3211 8 L 4.8651 8.1266 125.5346 51.8349 45.7252 176.7330 9 D 4.5495 8.4285 121.8711 53.3088 41.5048 177.1399 10 D 4.4341 8.8578 124.0179 58.5121 40.7411 179.7232 11 D 4.3633 8.0042 120.9027 58.2220 39.9433 180.0320 12 L 4.1475 8.1015 122.1044 58.1343 42.0685 179.1954 13 L 4.0553 8.1101 118.7589 57.5323 41.4257 179.1973 14 E 3.9266 8.0658 119.5935 59.6431 29.5829 179.0432 15 T 3.9505 7.7687 115.8110 66.3068 68.3675 176.6449 16 L 4.0004 7.9594 122.4422 58.2920 42.2965 178.7469 17 D 4.4080 8.4383 119.1441 57.3765 40.7376 179.0286 18 S 4.1278 8.1329 115.7722 61.4865 62.8603 176.4112 19 L 3.9689 8.0982 123.0260 58.3421 41.7650 179.0015 20 S 4.3408 8.5486 115.4677 61.7245 62.5316 176.6250 21 Q 3.9165 7.7619 120.7036 59.4482 29.0057 178.2865 22 R 3.9860 7.6080 116.9242 58.7446 30.1015 178.3662 23 R 4.1737 7.6690 116.0247 55.6807 30.9236 177.4566 24 G 3.8759 8.3376 106.5934 44.6158 0.0000 173.0085 25 Y 4.5842 7.4506 116.9319 58.6512 38.1171 176.2968 26 N 4.5114 10.1280 124.6135 56.0427 39.1522 175.0888 27 N 5.0007 7.7246 113.7524 50.3443 41.6043 175.3439 28 R 3.8664 8.5445 118.9673 59.7562 30.0888 178.8809 29 S 4.0990 8.1755 114.0347 62.1282 62.7046 176.3026 30 E 3.9408 9.0081 121.5563 59.2674 29.2453 179.0313 31 A 2.5800 7.4463 120.3196 54.5944 18.4085 179.6267 32 I 3.5163 8.1841 118.5085 64.5944 36.8142 178.5116 33 R 3.7648 8.2928 119.7694 59.4677 29.6390 177.7448 34 D 4.3921 7.4698 117.4404 56.7896 41.4493 178.2989 35 I 3.7263 7.7010 120.3658 64.1975 37.1149 178.0529 36 L 3.8970 8.0977 121.3408 58.3649 41.5895 179.1513 37 R 3.9351 7.6453 117.2030 59.4005 29.8410 178.5616 38 S 4.0220 8.0371 114.5255 61.0873 62.9965 176.4203 39 A 4.0423 8.0813 123.7383 55.0772 17.9672 179.6845 40 L 4.0292 7.9364 116.1010 57.3281 41.9581 179.4259 41 A 4.1471 7.4694 120.9866 55.3063 18.2468 179.6597 42 Q 4.0948 7.8510 117.2877 59.5593 28.7667 179.2162 43 E 4.2154 7.8901 117.9670 60.1842 29.9622 182.4400 44 A 4.5619 7.9053 121.0044 54.4563 20.1398 178.9487 45 T 4.2755 7.7045 113.4449 60.0976 66.5741 177.9894 46 Q 4.1603 7.1234 123.0566 56.1180 29.8520 176.0794 *48 H 4.5915 7.8766 117.2285 57.3623 31.3034 173.4284 49 G 3.9723 9.5565 114.8659 45.5652 0.0000 173.7033 50 T 4.2875 7.6608 116.8643 62.6326 69.0943 173.9933 51 Q 4.9014 8.4867 125.2255 54.1872 31.0255 176.1004 52 G 4.3426 7.0260 105.6557 46.3093 0.0000 171.4166 53 F 5.2251 7.9464 117.4421 56.0261 42.7487 174.4783 54 A 5.0821 9.0203 120.1698 51.0121 23.2276 175.4547 55 V 4.7227 9.0609 120.2312 61.0301 34.4282 174.1276 56 L 5.3749 9.1833 131.2267 53.4106 44.2155 175.1022 57 S 5.6574 8.7817 120.7515 55.8899 66.4857 172.5608 58 Y 5.1261 7.4320 116.6336 57.3044 40.7660 172.6471 59 V 4.8317 8.5475 121.4264 61.8620 33.8661 174.2673 *60 Y 5.0364 9.1548 127.4256 56.0867 40.7264 176.3459 61 E 4.6614 9.1124 119.3041 57.4169 30.3774 175.4181 *78 H 4.7365 7.9698 113.4025 54.8732 30.2269 178.2376 79 H 4.5081 8.2391 113.7939 55.6865 28.7704 174.7433 80 D 4.3178 8.3151 124.5411 52.3548 42.3813 175.1493 81 L 4.5347 7.5381 124.6464 54.9230 42.7191 176.4601 82 S 4.5606 7.4947 114.2112 58.4034 62.4558 173.7372 83 V 4.2051 8.4172 126.5182 64.1702 32.8850 175.7128 84 A 4.4960 7.1713 118.1843 51.7082 22.0248 175.2808 85 T 5.0813 8.6926 115.9435 61.5920 72.2592 173.1527 86 L 4.7737 9.1297 127.3106 53.5185 45.0067 174.5469 87 H 5.3129 8.8460 122.5385 53.9626 30.7957 173.4766 88 V 4.3467 8.9522 122.9209 61.1725 34.7908 174.2855 89 H 4.6720 8.8850 125.5501 55.7312 28.4421 175.1311 90 I 4.1333 8.1290 118.2965 60.1922 38.0109 174.9304 91 N 4.1287 7.5604 117.9051 52.9974 38.6582 173.6219 92 H 4.2002 9.0484 117.7484 59.2280 29.6293 175.4234 93 D 4.6008 8.3648 117.6025 55.2358 42.0885 175.6496 94 D 5.0222 9.5223 119.5968 52.7193 43.5718 175.3909 95 C 5.2011 8.7354 121.6438 57.5414 35.1310 172.1954 96 L 4.8599 9.8939 128.3267 53.6831 43.7313 174.4566 97 E 4.6758 8.7063 127.1735 54.2292 32.5387 174.4428 98 I 4.7368 9.0686 127.8603 59.6029 40.2790 174.0085 99 A 4.9725 9.1788 130.3030 50.1883 21.3006 175.6578 100 V 4.4963 8.9881 124.0157 62.0018 32.6097 174.9342 101 L 5.1107 9.0098 128.9752 53.4539 44.0710 175.7838 102 K 4.3415 9.3568 122.2548 55.3393 35.4957 175.5695 103 G 3.6597 7.9736 111.8427 44.0228 0.0000 172.6873 104 D 4.7396 8.6522 122.5578 54.3447 42.4076 177.4849 105 M 4.3925 9.2258 128.0011 58.1577 31.9221 179.2877 106 G 3.6476 8.2571 105.6967 48.0260 0.0000 175.5781 107 D 4.4953 10.3281 122.2776 56.6878 40.8696 179.1360 108 V 3.6658 8.4715 119.3154 66.0952 31.5247 177.9486 109 Q 4.0357 8.2732 119.3990 59.2316 28.8359 177.5403 110 H 4.1323 8.3932 119.4317 59.2629 30.0220 176.6684 111 F 4.1720 8.7149 122.5588 61.5938 39.0506 177.1852 112 A 3.7907 8.0560 119.6341 55.2677 18.3743 179.3136 113 D 4.2099 8.1440 117.4288 57.4691 40.6781 178.5903 114 D 4.2285 8.2153 119.7504 57.4655 40.6442 179.1539 115 V 3.3271 7.1238 116.8276 66.0998 31.5288 177.9051 116 I 3.6256 7.4794 117.9154 64.0077 36.8835 178.0382 117 A 4.0807 7.8622 123.3350 54.8102 17.3233 178.4977 118 Q 3.7769 7.1496 115.9941 55.0805 29.0320 180.0632 119 R 4.1794 8.1756 118.9258 57.2464 30.2814 175.8787 120 G 4.3762 9.0436 114.9475 45.6094 0.0000 174.4155 121 V 3.7263 6.5636 118.2857 63.0921 31.8991 175.4076 122 R 4.6326 8.6225 124.7878 55.1210 34.3198 174.2573 123 H 4.3789 8.5646 112.9481 56.8174 26.4619 175.2289 124 G 4.0499 8.0238 104.7400 46.7887 0.0000 173.5806 125 H 5.0655 9.1653 122.6123 54.3268 33.9681 171.6307 126 L 5.0656 8.2409 126.5841 53.2745 44.5721 174.9312 127 Q 4.5660 9.1955 128.5555 54.6071 30.7408 174.2983 128 C 4.7192 8.6721 124.4375 59.1522 29.6015 174.2305 129 L 4.9649 8.9108 120.9172 52.2021 41.5215 174.0516 130 P 4.7774 0.0000 0.0000 63.0393 32.7346 178.0632 131 K 3.9004 8.6888 124.6870 56.0812 32.1421 177.6505 132 E 4.2333 8.7202 125.4619 55.2942 29.8055 175.4509 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 M 8.30 4.43 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 Q 8.46 4.55 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 3 R 8.53 4.62 0.00 1.75 1.81 0.00 3.14 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 4 V 8.31 4.30 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 0.84 0.00 0.00 0.92 0.00 0.00 5 T 8.53 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 I 8.16 4.50 1.86 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 1.41 0.60 0.91 0.00 0.00 7 T 8.39 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 L 8.13 4.87 0.00 1.57 1.51 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.43 4.55 0.00 2.87 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 10 D 8.86 4.43 0.00 2.71 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 11 D 8.00 4.36 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.10 4.15 0.00 1.83 1.92 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.11 4.06 0.00 1.88 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.07 3.93 0.00 2.07 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 0.00 2.31 2.36 0.00 15 T 7.77 3.95 4.34 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 0.00 0.00 0.00 1.23 0.00 0.00 16 L 7.96 4.00 0.00 1.80 1.83 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.44 4.41 0.00 2.86 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 18 S 8.13 4.13 0.00 4.14 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 19 L 8.10 3.97 0.00 1.89 1.91 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.55 4.34 0.00 4.18 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 21 Q 7.76 3.92 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 22 R 7.61 3.99 0.00 1.94 1.94 0.00 3.19 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 23 R 7.67 4.17 0.00 0.82 1.16 0.00 2.80 0.00 0.00 2.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 24 G 8.34 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 25 Y 7.45 4.58 0.00 2.99 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 26 N 10.13 4.51 0.00 2.75 2.91 0.00 0.00 6.86 5.36 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 27 N 7.72 5.00 0.00 2.93 2.89 0.00 0.00 6.26 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 28 R 8.54 3.87 0.00 1.86 2.01 0.00 3.15 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 29 S 8.18 4.10 0.00 4.14 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.01 3.94 0.00 1.97 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 2.25 2.33 0.00 31 A 7.45 2.58 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.18 3.52 1.79 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 1.36 0.59 0.87 0.00 0.00 33 R 8.29 3.76 0.00 1.77 2.12 0.00 3.06 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 34 D 7.47 4.39 0.00 2.79 2.54 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 35 I 7.70 3.73 1.84 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 1.46 0.43 0.92 0.00 0.00 36 L 8.10 3.90 0.00 1.99 1.64 0.91 1.14 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 37 R 7.65 3.94 0.00 2.16 1.91 0.00 3.14 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 38 S 8.04 4.02 0.00 4.08 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 39 A 8.08 4.04 1.40 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 40 L 7.94 4.03 0.00 1.65 1.76 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.47 4.15 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 42 Q 7.85 4.09 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 43 E 7.89 4.22 0.00 2.11 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 2.25 2.19 0.00 44 A 7.91 4.56 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 45 T 7.70 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 46 Q 7.12 4.16 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.47 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 *48 H 7.88 4.59 0.00 3.09 3.30 0.00 5.85 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 49 G 9.56 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 0.00 0.00 0.00 50 T 7.66 4.29 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 51 Q 8.49 4.90 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 52 G 7.03 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.95 5.23 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.02 5.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 9.06 4.72 2.14 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 0.99 0.00 0.00 0.98 0.00 0.00 56 L 9.18 5.37 0.00 1.88 1.79 1.02 0.64 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 57 S 8.78 5.66 0.00 3.87 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 58 Y 7.43 5.13 0.00 3.20 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 59 V 8.55 4.83 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 1.13 0.00 0.00 0.97 0.00 0.00 *60 Y 9.15 5.04 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.11 4.66 0.00 2.01 1.89 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 2.20 1.83 0.00 *78 H 7.97 4.74 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.24 4.51 0.00 3.24 3.34 0.00 5.43 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.32 4.32 0.00 2.58 2.47 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 0.00 81 L 7.54 4.53 0.00 1.29 1.80 0.82 0.51 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 82 S 7.49 4.56 0.00 3.86 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 83 V 8.42 4.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.02 0.00 0.00 84 A 7.17 4.50 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 85 T 8.69 5.08 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 1.18 0.00 0.00 86 L 9.13 4.77 0.00 1.67 1.42 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.85 5.31 0.00 2.96 3.10 0.00 5.89 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 88 V 8.95 4.35 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 0.97 0.00 0.00 0.90 0.00 0.00 89 H 8.89 4.67 0.00 3.21 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.13 4.13 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 1.46 0.58 0.91 0.00 0.00 91 N 7.56 4.13 0.00 2.87 2.89 0.00 0.00 6.03 7.90 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 92 H 9.05 4.20 0.00 3.08 3.42 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.36 4.60 0.00 2.84 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 94 D 9.52 5.02 0.00 2.48 2.59 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 95 C 8.74 5.20 0.00 3.03 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 96 L 9.89 4.86 0.00 1.78 1.62 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.71 4.68 0.00 1.70 1.12 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 1.80 1.75 0.00 98 I 9.07 4.74 1.79 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 1.07 0.64 0.88 0.00 0.00 99 A 9.18 4.97 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.99 4.50 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 1.21 0.00 0.00 0.98 0.00 0.00 101 L 9.01 5.11 0.00 1.64 1.52 1.21 0.70 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 0.00 102 K 9.36 4.34 0.00 0.94 1.28 0.00 1.15 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.94 0.32 7.81 103 G 7.97 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 0.00 104 D 8.65 4.74 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 0.00 105 M 9.23 4.39 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.86 0.00 106 G 8.26 3.65 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 0.00 0.00 0.00 107 D 10.33 4.50 0.00 2.83 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 0.00 108 V 8.47 3.67 2.31 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 1.06 0.00 0.00 0.94 0.00 0.00 109 Q 8.27 4.04 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 110 H 8.39 4.13 0.00 3.35 3.54 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.71 4.17 0.00 3.18 3.35 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 0.00 112 A 8.06 3.79 1.45 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 0.00 113 D 8.14 4.21 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.22 4.23 0.00 2.69 2.57 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 0.00 115 V 7.12 3.33 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.24 0.00 0.00 116 I 7.48 3.63 1.76 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 1.35 0.67 0.85 0.00 0.00 117 A 7.86 4.08 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 0.00 118 Q 7.15 3.78 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 119 R 8.18 4.18 0.00 1.82 1.75 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 120 G 9.04 4.38 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 0.00 0.00 0.00 121 V 6.56 3.73 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 0.52 0.00 0.00 0.71 0.00 0.00 122 R 8.62 4.63 0.00 1.79 1.56 0.00 3.43 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.79 0.00 123 H 8.56 4.38 0.00 3.37 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.02 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 0.00 125 H 9.17 5.07 0.00 3.29 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.24 5.07 0.00 1.63 1.46 0.99 0.73 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 0.00 127 Q 9.20 4.57 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 128 C 8.67 4.72 0.00 2.93 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 0.00 129 L 8.91 4.96 0.00 1.73 1.59 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.78 0.00 2.10 2.10 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 131 K 8.69 3.90 0.00 1.54 1.71 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.29 7.81 132 E 8.72 4.23 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.