NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5075 8.1633 120.6166 55.0328 33.9020 174.4407 2 K 4.3015 8.7199 126.2537 56.3567 32.7442 171.5554 3 V 4.6478 8.8473 117.6891 60.2543 36.7697 173.4671 4 I 4.2204 8.3335 125.0746 60.7060 38.3098 175.9665 5 L 4.8143 8.2909 127.1076 52.7283 44.0333 177.9043 6 L 4.8149 8.1456 121.4001 53.8326 41.5724 179.5965 7 E 3.7922 9.3216 130.9262 56.7401 28.6235 174.7734 8 P 4.4015 0.0000 0.0000 62.5903 32.0921 175.2408 9 L 4.7862 8.0035 116.9683 52.6229 45.5409 176.2430 10 E 4.2608 8.5626 123.2743 57.5756 30.2522 174.8120 11 N 4.7884 9.0903 121.7699 52.1738 38.2439 174.5934 12 L 4.8272 7.6056 120.3036 55.3482 43.8063 172.5884 13 G 3.7784 9.4762 108.3940 47.3663 0.0000 173.3615 14 D 4.6214 9.0796 125.7489 56.0188 38.7358 174.3698 15 V 3.4656 7.4116 115.7129 61.4032 31.2088 175.0391 16 G 4.3372 8.9060 119.6338 45.6666 0.0000 173.4011 17 Q 4.0349 7.5732 121.9682 55.6454 30.6610 176.0708 18 V 4.7380 8.2830 122.4332 61.3123 33.8718 174.6483 19 V 4.7128 8.4712 126.8703 59.7768 35.0878 173.8029 20 D 5.2891 8.5418 119.5334 52.0481 41.8817 175.4153 21 V 4.6110 8.7408 115.1290 59.8600 36.4101 175.9188 22 K 3.8944 8.9320 122.9815 55.2852 32.1862 176.8444 23 P 4.3777 0.0000 0.0000 65.3593 31.4434 178.0610 24 G 3.6944 8.9049 100.2006 48.4472 0.0000 175.0380 25 Y 3.9776 7.9391 118.9246 60.0831 40.2276 177.6173 26 A 3.8184 8.4684 118.6515 56.6946 18.0643 179.0835 27 R 3.9336 7.9681 121.1897 57.7979 30.9587 177.7765 28 N 4.8694 8.5214 113.6797 53.0136 39.7997 173.7817 29 Y 4.5582 7.9878 119.3204 59.2156 41.0735 177.5308 30 L 3.7373 7.6780 118.7505 57.8250 42.1860 179.5536 31 L 4.1057 7.8267 117.2364 57.3858 41.8424 177.2383 32 P 4.3663 0.0000 0.0000 65.3570 31.5486 177.6925 33 R 4.2992 7.6836 115.5613 55.6909 29.5300 176.4522 34 G 3.9903 7.8003 103.7786 46.2723 0.0000 175.3453 35 L 3.7895 7.3401 118.4547 56.0119 41.9305 177.6965 36 A 4.8835 7.4241 120.0263 50.1944 23.1936 173.8387 37 V 4.5065 8.6312 118.0178 60.5406 35.4061 174.7879 38 L 4.3843 8.6260 122.8025 54.6318 42.3380 177.2814 39 A 4.6685 8.1201 122.2856 51.3404 19.4341 177.0210 40 T 4.0039 7.9741 113.1339 63.3564 69.1313 174.7946 41 E 4.0689 8.8318 116.5526 58.9286 30.2109 176.6746 42 S 3.7822 7.9655 108.9466 63.0805 62.2463 175.2570 43 N 4.6100 6.7169 112.6564 54.5392 39.0276 175.9133 44 L 4.3241 8.5347 126.0816 58.0970 42.2439 179.0220 45 K 4.2153 8.0098 122.0704 58.4629 31.7047 180.8618 46 A 4.1717 7.8850 120.0312 55.6411 18.8417 179.1397 47 L 3.9819 7.9311 118.2576 57.6428 42.0598 178.9876 48 E 3.9639 7.7058 118.4894 59.9384 29.2647 177.8658 49 A 3.8015 8.3054 118.0405 56.5930 17.9457 179.1727 50 R 3.3645 8.0646 120.6361 58.3430 30.7668 178.8338 51 I 3.9232 7.7800 119.9342 63.1291 37.0701 177.4299 52 R 4.2964 7.9985 114.0927 56.0242 30.9825 176.7319 53 A 4.3432 8.8753 122.0942 52.2554 18.7450 177.3008 54 Q 4.3258 7.7931 117.2222 58.0545 32.7834 176.9908 55 A 4.0152 7.9014 123.2387 55.1353 18.4838 179.2516 56 K 4.3735 8.0736 117.1617 55.3512 32.4807 181.3531 57 R 4.4862 7.5334 121.3700 61.1077 30.6923 182.7716 58 L 4.1629 8.5427 121.1293 57.7682 41.8612 178.7271 59 A 4.1267 7.4044 119.0000 54.0432 18.5443 179.0281 60 E 4.0708 8.1755 121.0525 60.1474 29.3615 179.6298 61 R 4.0517 8.0409 122.6226 61.9697 29.3314 181.1653 62 K 4.4434 8.2494 123.3185 58.6945 31.4977 180.6826 63 A 4.8789 7.6027 117.4571 52.2707 19.2442 177.0235 64 E 4.4971 7.8231 114.9019 56.3264 30.7970 176.6160 65 A 4.3640 7.7872 124.1936 54.7761 20.0613 179.6940 66 E 4.1676 8.1152 112.8226 58.2021 30.2507 180.3591 67 R 4.7480 7.1101 115.2713 55.5233 29.7736 181.1821 68 L 5.1082 7.0590 124.2419 56.0177 44.3649 174.4174 69 K 4.5875 8.4483 119.2415 54.2567 33.8939 180.4610 70 E 4.7452 8.2702 110.8574 56.3572 31.2078 181.6489 71 I 4.6772 7.4282 108.5600 61.2204 38.7827 175.9846 72 L 4.3642 7.4591 121.2070 54.7830 41.8750 174.2350 73 E 4.6204 8.3961 116.3224 55.1730 30.9824 175.7628 74 N 4.9456 8.0608 113.0358 53.0657 38.5150 174.1589 75 L 4.5429 7.7235 119.5921 53.9287 43.1659 176.2890 76 T 4.2047 8.2993 111.2469 60.2740 69.6610 174.6199 77 L 3.9249 7.8762 126.4979 54.6807 42.3060 172.9656 78 T 4.7101 8.0345 116.1561 62.3083 71.9454 173.6633 79 I 4.2375 8.8186 129.0679 59.6135 38.7727 174.9858 80 P 4.7021 0.0000 0.0000 61.7346 30.3384 175.5951 81 V 4.0624 7.2043 121.0615 62.6642 33.2631 174.1828 82 R 4.9451 8.0627 121.8473 54.3056 34.1724 172.2469 83 A 4.5545 7.3234 130.6497 52.0167 21.9665 179.6723 84 G 4.9389 9.6949 125.6042 48.5343 0.0000 173.4504 85 E 3.8447 8.9660 132.0177 56.9741 26.8900 178.2297 86 T 4.2696 9.1080 124.0536 62.9406 69.7116 175.2223 87 K 4.1687 7.4932 123.5790 53.9571 33.8702 174.2898 88 I 3.8670 7.2501 120.5628 61.3645 35.6999 177.1666 89 Y 4.7209 8.0452 122.1348 58.5266 39.8988 175.2565 90 G 4.0595 8.5350 105.3693 50.5527 0.0000 177.6039 91 S 2.8450 6.5868 107.7282 54.9820 67.3086 171.7144 92 V 3.3841 8.4364 121.2298 60.8939 31.8908 171.1719 93 T 3.6411 8.3480 110.1976 63.1180 68.8202 174.3963 94 A 3.3319 7.7923 124.9458 53.7522 20.6297 180.5530 95 K 4.2236 7.9876 118.4186 59.4008 32.2072 179.9617 96 D 4.7352 7.8697 119.1573 57.6786 41.1083 178.8848 97 I 3.7903 8.0749 119.6597 64.6890 36.8582 178.3323 98 A 3.9998 7.8053 120.6926 55.1290 18.1561 179.0950 99 E 3.9343 9.1554 116.5834 57.7800 29.3115 177.8043 100 A 4.9668 7.3380 121.0372 51.0995 20.2228 176.3333 101 L 4.5711 7.5781 124.2352 57.9750 49.8100 176.7945 102 S 5.1773 9.3247 117.8281 60.8616 62.9314 177.0634 103 R 4.5410 7.8460 115.1684 56.0986 31.6388 179.0510 104 Q 4.3858 7.3976 116.9402 58.0289 29.4525 175.3316 105 H 4.7432 8.2315 110.0114 56.6587 35.3939 173.9144 106 G 4.6591 10.2061 108.4293 44.7872 0.0000 172.9946 107 V 4.1709 7.2905 119.0704 62.0788 33.5099 173.5204 108 T 4.5862 8.4843 124.3789 63.4346 68.7893 174.0295 109 I 4.6729 8.2236 126.3844 59.8405 39.9179 175.4749 110 D 4.8817 8.7815 123.8406 51.2158 40.0697 173.7989 111 P 4.2722 0.0000 0.0000 62.7508 31.6921 178.0707 112 K 4.6028 7.4813 121.3479 57.7695 38.6979 179.9284 113 R 4.4855 7.7780 117.2003 56.0691 29.0889 179.6579 114 L 4.6944 7.9736 118.7736 54.7829 43.0652 178.5695 115 A 3.9164 8.2316 120.8418 51.5310 16.3803 177.7345 116 L 4.3437 7.5053 118.0243 54.3183 44.5335 173.5818 117 E 4.3096 8.8278 123.4712 56.9006 28.9153 179.5862 118 K 4.2018 9.4449 116.0015 53.3786 32.6738 175.8541 119 P 4.1438 0.0000 0.0000 60.4641 33.7799 174.1799 120 I 3.5597 8.5277 121.4155 61.6869 36.2351 176.9606 121 K 3.6869 9.0727 122.9485 55.0137 29.3655 173.7194 122 E 5.4833 7.1340 125.9783 55.7081 32.2143 176.3793 123 L 4.2929 8.1213 125.5615 54.3213 42.9846 178.2804 124 G 3.5888 6.6914 107.8954 45.1331 0.0000 171.4876 125 E 5.1009 7.6816 118.7724 54.9330 33.9492 174.6677 126 Y 5.2567 9.1803 118.9638 56.7147 43.1965 173.9408 127 V 4.7151 8.3864 118.3488 61.9359 34.9050 174.9586 128 L 4.6807 8.1156 123.6568 54.4322 45.6653 173.3391 129 T 4.5575 7.8097 113.1910 63.2374 72.5919 171.5857 130 Y 5.3649 9.1070 120.0034 58.5487 42.0460 172.2974 131 K 3.3395 7.9725 120.4371 56.8903 32.1245 172.4287 132 P 4.6375 0.0000 0.0000 63.6257 32.7022 175.6907 133 H 4.9619 7.5703 114.1910 53.6313 29.9578 171.5951 134 P 4.1715 0.0000 0.0000 63.6459 31.6977 177.0081 135 E 4.6015 8.4397 129.2026 54.8260 28.8547 176.8002 136 V 4.8949 7.6221 108.0274 62.7851 31.6482 169.5159 137 P 5.3043 0.0000 0.0000 63.1063 30.0078 173.5527 138 I 4.2944 7.9532 119.5009 59.6059 39.7217 177.6638 139 Q 5.0372 8.5885 125.4437 56.2070 28.7573 170.9539 140 L 5.9374 7.9368 122.7827 57.3412 45.2723 174.2400 141 K 5.5564 7.6303 130.6002 53.4458 33.7342 172.4705 142 V 4.3757 9.5029 127.0632 61.3703 32.5552 174.5705 143 S 5.1297 8.2641 127.6690 57.5699 65.5216 172.5411 144 V 4.8484 7.6296 114.8632 60.9575 34.6573 175.6152 145 V 2.9260 8.2514 121.1732 64.5895 30.2546 172.9327 *146 A 4.1219 8.5814 119.7648 52.3275 18.7144 176.2569 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 8.16 4.51 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 2 K 8.72 4.30 0.00 1.77 1.74 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81 3 V 8.85 4.65 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 0.62 0.00 0.00 1.02 0.00 0.00 4 I 8.33 4.22 1.88 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 1.23 0.68 0.91 0.00 0.00 5 L 8.29 4.81 0.00 1.61 1.61 1.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.15 4.81 0.00 1.65 0.69 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.32 3.79 0.00 2.04 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 2.39 0.00 8 P 0.00 4.40 0.00 2.20 2.32 0.00 3.71 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 2.01 2.04 0.00 9 L 8.00 4.79 0.00 1.85 1.61 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.56 4.26 0.00 1.95 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 2.30 2.31 0.00 11 N 9.09 4.79 0.00 2.83 3.18 0.00 0.00 6.93 7.78 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 12 L 7.61 4.83 0.00 1.91 1.75 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.48 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 0.00 0.00 0.00 14 D 9.08 4.62 0.00 2.80 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 15 V 7.41 3.47 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 0.67 0.00 0.00 0.93 0.00 0.00 16 G 8.91 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 17 Q 7.57 4.03 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 18 V 8.28 4.74 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 0.95 0.00 0.00 0.97 0.00 0.00 19 V 8.47 4.71 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 0.83 0.00 0.00 0.92 0.00 0.00 20 D 8.54 5.29 0.00 2.82 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 21 V 8.74 4.61 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 0.60 0.00 0.00 1.10 0.00 0.00 22 K 8.93 3.89 0.00 1.68 1.72 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.06 7.81 23 P 0.00 4.38 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 24 G 8.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.94 3.98 0.00 3.04 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 26 A 8.47 3.82 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 27 R 7.97 3.93 0.00 1.77 2.04 0.00 3.14 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 28 N 8.52 4.87 0.00 2.63 2.84 0.00 0.00 6.71 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 29 Y 7.99 4.56 0.00 2.54 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.68 3.74 0.00 1.74 1.66 1.23 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.83 4.11 0.00 1.61 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.37 0.00 2.14 2.06 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 33 R 7.68 4.30 0.00 1.57 1.70 0.00 2.49 0.00 0.00 2.79 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 34 G 7.80 3.99 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 0.00 0.00 0.00 35 L 7.34 3.79 0.00 1.50 1.53 0.54 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.42 4.88 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 37 V 8.63 4.51 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 0.92 0.00 0.00 38 L 8.63 4.38 0.00 1.55 1.62 0.92 0.74 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 39 A 8.12 4.67 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 40 T 7.97 4.00 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 41 E 8.83 4.07 0.00 1.92 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 2.31 1.86 0.00 42 S 7.97 3.78 0.00 3.84 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 43 N 6.72 4.61 0.00 2.71 2.83 0.00 0.00 7.06 7.72 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 44 L 8.53 4.32 0.00 1.91 1.72 0.95 0.49 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 45 K 8.01 4.22 0.00 1.82 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 46 A 7.88 4.17 1.38 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 47 L 7.93 3.98 0.00 1.80 1.80 0.96 0.95 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 48 E 7.71 3.96 0.00 2.31 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 2.47 2.52 0.00 49 A 8.31 3.80 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 50 R 8.06 3.36 0.00 1.79 2.02 0.00 3.21 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 51 I 7.78 3.92 2.02 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 1.63 1.16 0.91 0.00 0.00 52 R 8.00 4.30 0.00 1.97 2.13 0.00 2.76 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.52 0.00 53 A 8.88 4.34 1.28 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 0.00 0.00 54 Q 7.79 4.33 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 55 A 7.90 4.02 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 56 K 8.07 4.37 0.00 1.80 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.23 7.81 57 R 7.53 4.49 0.00 1.79 1.93 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 58 L 8.54 4.16 0.00 1.86 1.67 0.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.40 4.13 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 60 E 8.18 4.07 0.00 2.26 1.92 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 2.30 2.36 0.00 61 R 8.04 4.05 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 62 K 8.25 4.44 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 A 7.60 4.88 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 64 E 7.82 4.50 0.00 2.02 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 2.32 2.35 0.00 65 A 7.79 4.36 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 66 E 8.12 4.17 0.00 1.97 1.88 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 2.26 2.13 0.00 67 R 7.11 4.75 0.00 1.83 1.77 0.00 3.32 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 68 L 7.06 5.11 0.00 1.67 1.77 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.45 4.59 0.00 1.76 1.63 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.95 7.81 70 E 8.27 4.75 0.00 1.94 1.83 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 2.12 1.82 0.00 71 I 7.43 4.68 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 1.35 1.16 0.92 0.00 0.00 72 L 7.46 4.36 0.00 1.60 1.76 0.90 0.84 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 73 E 8.40 4.62 0.00 1.97 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 2.26 2.26 0.00 74 N 8.06 4.95 0.00 2.81 2.87 0.00 0.00 6.07 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 75 L 7.72 4.54 0.00 1.60 1.56 0.91 0.79 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 76 T 8.30 4.20 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 77 L 7.88 3.92 0.00 1.82 1.65 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.03 4.71 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 79 I 8.82 4.24 1.95 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 1.57 1.44 0.92 0.00 0.00 80 P 0.00 4.70 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 81 V 7.20 4.06 2.37 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 0.95 0.00 0.00 1.04 0.00 0.00 82 R 8.06 4.95 0.00 1.94 1.80 0.00 3.43 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 83 A 7.32 4.55 0.74 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 0.00 0.00 84 G 9.69 4.94 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 0.00 0.00 0.00 85 E 8.97 3.84 0.00 2.15 1.80 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 2.18 2.22 0.00 86 T 9.11 4.27 4.22 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 1.20 0.00 0.00 87 K 7.49 4.17 0.00 1.76 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.34 7.81 88 I 7.25 3.87 1.78 0.00 0.00 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 1.27 1.21 0.81 0.00 0.00 89 Y 8.05 4.72 0.00 3.01 2.88 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 90 G 8.53 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 0.00 0.00 0.00 91 S 6.59 2.84 0.00 3.99 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 92 V 8.44 3.38 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 0.57 0.00 0.00 0.88 0.00 0.00 93 T 8.35 3.64 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 1.20 0.00 0.00 94 A 7.79 3.33 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 95 K 7.99 4.22 0.00 1.78 1.83 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.16 7.81 96 D 7.87 4.74 0.00 2.69 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 97 I 8.07 3.79 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.86 0.00 0.00 98 A 7.81 4.00 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 99 E 9.16 3.93 0.00 2.10 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 2.33 2.33 0.00 100 A 7.34 4.97 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 L 7.58 4.57 0.00 1.68 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.32 5.18 0.00 3.87 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 0.00 103 R 7.85 4.54 0.00 1.79 1.79 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 104 Q 7.40 4.39 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 105 H 8.23 4.74 0.00 3.25 3.26 0.00 5.72 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 0.00 106 G 10.21 4.66 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 0.00 107 V 7.29 4.17 2.11 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 1.00 0.00 0.00 0.96 0.00 0.00 108 T 8.48 4.59 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 0.00 109 I 8.22 4.67 1.92 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 1.30 0.55 1.02 0.00 0.00 110 D 8.78 4.88 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.27 0.00 2.23 2.19 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 112 K 7.48 4.60 0.00 1.74 1.58 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.00 7.81 113 R 7.78 4.49 0.00 1.73 1.90 0.00 3.19 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 114 L 7.97 4.69 0.00 1.62 1.28 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.23 3.92 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 0.00 116 L 7.51 4.34 0.00 1.52 1.53 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.83 4.31 0.00 2.08 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 2.16 2.24 0.00 118 K 9.44 4.20 0.00 1.80 1.65 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.99 7.81 119 P 0.00 4.14 0.00 2.15 2.04 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 120 I 8.53 3.56 1.93 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.29 0.68 0.00 0.00 121 K 9.07 3.69 0.00 1.81 1.97 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.39 7.81 122 E 7.13 5.48 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 2.04 2.03 0.00 123 L 8.12 4.29 0.00 1.67 1.57 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.69 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 0.00 125 E 7.68 5.10 0.00 1.68 1.72 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 2.16 2.16 0.00 126 Y 9.18 5.26 0.00 2.82 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 0.00 127 V 8.39 4.72 2.11 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 0.82 0.00 0.00 0.94 0.00 0.00 128 L 8.12 4.68 0.00 1.59 1.54 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.81 4.56 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 0.00 130 Y 9.11 5.36 0.00 2.84 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 0.00 131 K 7.97 3.34 0.00 1.72 1.60 0.00 1.52 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.10 1.22 7.81 132 P 0.00 4.64 0.00 2.13 2.09 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 133 H 7.57 4.96 0.00 3.22 3.25 0.00 5.77 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.17 0.00 2.06 2.12 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 135 E 8.44 4.60 0.00 1.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 136 V 7.62 4.89 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 1.10 0.00 0.00 1.03 0.00 0.00 137 P 0.00 5.30 0.00 1.96 2.14 0.00 3.85 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 138 I 7.95 4.29 1.80 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 1.29 0.76 1.05 0.00 0.00 139 Q 8.59 5.04 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.04 0.00 0.00 0.00 0.00 0.00 2.28 1.88 0.00 140 L 7.94 5.94 0.00 1.81 1.62 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.63 5.56 0.00 1.68 1.67 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.08 7.81 142 V 9.50 4.38 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.12 0.00 0.00 143 S 8.26 5.13 0.00 3.96 3.79 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 0.00 144 V 7.63 4.85 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 1.08 0.00 0.00 0.94 0.00 0.00 145 V 8.25 2.93 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 0.74 0.00 0.00 0.94 0.00 0.00 *146 A 8.58 4.12 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 * Residues marked with a * may have inaccurate shift predictions.