NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.1267 8.0544 117.9151 60.2103 33.6365 174.9123 12 S 4.2697 8.1702 111.3078 59.0172 64.2347 173.1714 13 K 4.0435 9.2807 126.2674 59.7008 32.3138 179.3395 14 Q 4.0843 8.0371 117.9420 59.0424 28.6390 177.9429 15 H 4.2967 8.2295 119.0210 59.1297 29.8990 177.3842 16 K 3.9695 8.2253 120.2900 59.2094 31.9916 179.0659 17 A 4.0103 7.9990 121.0130 55.1500 18.4198 179.3831 18 F 4.0494 8.4024 119.0133 61.6508 39.5406 177.4488 19 L 4.0016 8.3213 118.5881 57.4375 41.2230 179.4553 20 R 3.9515 8.1127 119.0984 59.3318 29.9427 178.6207 21 K 3.9093 7.7447 117.6319 59.5993 32.0729 179.3341 22 L 3.8895 7.3261 118.5764 57.7836 41.4682 179.0797 23 Y 4.2300 8.6355 119.8967 60.7257 38.5688 177.9651 24 L 3.8761 8.1495 118.7712 57.6377 41.8172 178.8599 25 A 4.1257 8.0302 119.9819 55.5777 18.2673 178.7374 26 H 4.5739 8.2694 115.2410 59.3741 30.2367 178.4198 27 L 4.0922 7.6545 119.8904 54.9876 41.2377 178.6553 *29 D 4.7062 8.1219 119.9826 54.2256 42.8545 176.5009 30 D 4.4142 8.1279 117.7057 56.4529 41.4845 175.4988 31 A 4.3565 7.3085 118.3848 50.8940 21.6856 175.4614 32 R 4.2114 8.3415 119.1396 56.6440 30.3882 176.1584 33 H 5.2947 9.1128 120.7001 54.0036 33.4404 172.1730 34 N 5.5493 9.2838 117.1899 50.7170 41.0650 175.1663 35 L 4.0436 9.0155 117.5728 58.0376 41.5391 179.4142 36 L 3.9971 8.0499 119.8290 58.3183 42.1307 179.0946 37 S 4.2514 8.7034 114.2533 61.4328 62.9858 176.4124 38 L 4.0869 8.4896 123.0670 57.2413 41.3124 179.6712 39 G 3.6171 8.5603 106.2461 47.8663 0.0000 175.9369 40 K 4.0650 7.8228 120.1479 59.0042 32.1401 178.9411 41 L 4.2039 8.0825 119.8662 57.2546 42.1419 177.9541 42 T 4.6433 8.2083 107.8180 60.0451 71.1828 172.7089 43 G 3.4658 8.1648 112.0171 45.3694 0.0000 171.3309 *45 P 4.2019 0.0000 0.0000 62.5239 34.0642 177.1989 46 R 3.8551 8.4214 118.1441 59.7649 29.8111 178.5234 47 R 3.8486 7.9217 117.6608 59.8211 30.1910 178.4326 48 T 3.8700 7.8460 114.8940 66.6015 68.4346 176.4411 49 L 3.9490 7.8604 120.8427 57.8467 41.6175 179.4254 50 Q 3.8471 8.3009 119.6878 59.2775 28.7796 177.9264 51 D 4.3101 8.0248 118.6455 57.1576 41.0911 178.5273 52 A 4.1699 8.0491 121.1685 55.3274 18.4787 179.7092 53 I 2.4389 7.8495 118.4346 64.1658 36.8582 178.5582 54 A 3.9253 7.8173 120.3015 54.7657 18.4378 178.8686 55 S 4.5146 7.9160 111.8388 58.8663 63.1889 175.9297 56 F 4.1442 8.3681 122.3111 60.9319 38.7007 177.2171 57 A 4.1284 8.2309 119.4548 55.4457 17.8510 179.2156 58 D 4.4981 8.0834 116.7702 56.3025 40.7937 177.3280 59 I 4.3473 7.6194 111.6819 60.4355 37.9915 176.7461 60 G 3.8932 8.1917 108.7719 46.0383 0.0000 173.3575 61 I 4.0776 7.4070 120.7431 60.3940 38.1009 175.3710 62 E 4.5732 9.0059 128.5385 55.1717 30.1894 175.6217 63 V 4.8593 8.3357 124.0971 59.9544 34.1935 174.8585 64 E 4.8438 9.6202 121.1000 54.5946 34.0484 174.6962 65 F 4.9321 8.7362 123.5150 56.7027 41.0711 174.3640 66 V 4.0348 7.7859 127.2681 61.0821 33.3049 174.6366 67 Q 4.9544 8.0716 125.2124 53.3238 32.7664 174.7541 68 D 4.5140 8.5479 119.8072 53.0497 40.1827 177.5902 69 G 3.6753 8.7291 109.1582 49.0413 0.0000 174.5680 70 E 4.0917 8.0204 115.9119 55.7206 29.7767 176.4649 71 R 3.8925 7.4931 116.9993 57.6456 28.1395 177.1117 72 H 4.6457 8.5767 115.8312 57.4252 29.6219 176.2459 73 N 4.7264 8.3691 115.6664 51.4686 39.6513 174.7811 74 A 4.0377 8.4212 123.9107 52.2667 18.8424 178.1104 75 G 3.2527 8.4197 110.6715 45.9265 0.0000 172.0127 76 Y 5.0740 7.3541 117.0063 55.1185 41.7609 174.1909 77 Y 4.8742 9.0622 119.6962 58.0837 39.0741 175.2188 78 R 4.7448 9.3110 123.4621 54.7619 33.9288 173.6780 79 I 4.4135 8.4942 127.1288 60.7516 37.4512 175.7100 80 R 4.2188 8.9949 128.9977 59.3090 30.8407 176.3787 81 T 4.7632 7.5527 110.6197 61.1290 70.4839 174.3373 82 W 4.3901 9.4095 125.7691 56.4713 30.9555 178.0696 83 G 4.0546 8.1511 107.1599 45.2527 0.0000 173.5408 84 P 4.5162 0.0000 0.0000 63.2059 31.4559 175.8529 85 I 4.1946 7.8966 121.2443 60.3428 38.1729 175.3403 86 S 4.4158 8.4519 119.9349 56.8372 62.1770 173.8767 87 S 2.8473 7.9642 123.5733 60.6058 62.6492 175.5420 88 A 4.2710 7.7097 123.0791 54.2282 18.3098 179.3546 89 W 4.1407 7.9764 123.0406 58.2487 29.7733 177.3441 *91 D 4.6174 8.1770 118.8451 54.1329 42.1374 177.9452 92 T 3.8977 7.3547 113.9693 65.5722 68.8112 175.2397 93 H 4.5140 7.5130 117.0215 55.3370 29.1142 176.0769 94 V 3.5851 7.7084 120.0589 66.5520 31.0673 177.3112 95 D 4.3719 8.0681 117.4798 57.5472 40.7988 178.6224 96 E 3.8467 8.0548 118.7531 59.4023 29.6832 178.8630 97 V 3.5747 8.0788 118.5621 65.8957 31.6298 177.7431 98 K 3.3610 8.5745 119.6773 59.3892 31.7876 178.9737 99 S 4.0038 7.8544 115.3096 61.5991 62.7011 176.2229 100 L 3.9263 7.6612 120.2821 58.2746 41.4907 179.5450 101 L 4.1661 7.9209 117.6165 55.1480 42.0756 177.1309 102 G 3.7466 8.2918 107.0207 46.6084 0.0000 176.3862 103 V 3.6529 7.6810 120.7713 65.7528 31.7156 177.0964 104 D 4.4218 8.1807 119.7964 57.2247 41.2760 177.0701 105 D 4.7552 7.3201 118.6046 52.3201 38.9258 181.2705 106 A 4.5350 7.5147 117.6235 52.7383 19.5123 178.2225 107 V 3.7768 7.7913 124.8981 64.8223 31.5930 175.6741 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 11 V 8.05 4.13 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 0.91 0.00 0.00 0.93 0.00 0.00 12 S 8.17 4.27 0.00 3.97 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 13 K 9.28 4.04 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.54 7.81 14 Q 8.04 4.08 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 15 H 8.23 4.30 0.00 3.21 3.49 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 16 K 8.23 3.97 0.00 2.13 1.86 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.33 7.81 17 A 8.00 4.01 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 18 F 8.40 4.05 0.00 3.12 3.25 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 19 L 8.32 4.00 0.00 1.75 1.76 0.86 1.15 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 20 R 8.11 3.95 0.00 2.00 2.22 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 21 K 7.74 3.91 0.00 1.62 1.14 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.61 7.81 22 L 7.33 3.89 0.00 1.83 1.86 -0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.64 4.23 0.00 3.06 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.15 3.88 0.00 1.99 1.77 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.03 4.13 0.65 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 26 H 8.27 4.57 0.00 3.44 3.57 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.65 4.09 0.00 1.74 1.49 0.55 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *29 D 8.12 4.71 0.00 3.02 2.89 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 D 8.13 4.41 0.00 2.84 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 31 A 7.31 4.36 1.13 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 0.00 0.00 32 R 8.34 4.21 0.00 1.42 1.43 0.00 2.57 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.34 0.00 33 H 9.11 5.29 0.00 3.19 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.28 5.55 0.00 2.97 3.22 0.00 0.00 7.31 6.24 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 35 L 9.02 4.04 0.00 1.77 1.81 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.05 4.00 0.00 1.80 1.90 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.70 4.25 0.00 4.23 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 0.00 38 L 8.49 4.09 0.00 1.92 1.74 0.86 0.93 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 39 G 8.56 3.62 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 0.00 0.00 0.00 40 K 7.82 4.07 0.00 1.97 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.66 7.81 41 L 8.08 4.20 0.00 1.77 1.77 0.98 0.84 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 42 T 8.21 4.64 4.37 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 1.37 0.00 0.00 43 G 8.16 3.47 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 0.00 0.00 0.00 *45 P 0.00 4.20 0.00 2.30 2.24 0.00 3.73 0.00 0.00 3.71 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 46 R 8.42 3.86 0.00 1.90 1.98 0.00 3.19 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 1.69 1.71 0.00 47 R 7.92 3.85 0.00 1.95 1.91 0.00 3.28 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 48 T 7.85 3.87 4.37 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 1.23 0.00 0.00 49 L 7.86 3.95 0.00 1.83 1.64 0.91 0.88 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 50 Q 8.30 3.85 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 51 D 8.02 4.31 0.00 2.83 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 52 A 8.05 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.85 2.44 1.45 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.26 0.14 0.00 0.00 54 A 7.82 3.93 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 55 S 7.92 4.51 0.00 4.13 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 56 F 8.37 4.14 0.00 2.96 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 57 A 8.23 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.08 4.50 0.00 2.88 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 59 I 7.62 4.35 1.99 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 1.06 0.00 0.00 60 G 8.19 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 61 I 7.41 4.08 1.56 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 0.52 0.00 0.00 62 E 9.01 4.57 0.00 1.95 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 2.28 2.26 0.00 63 V 8.34 4.86 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 1.00 0.00 0.00 64 E 9.62 4.84 0.00 1.95 1.79 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 2.21 2.22 0.00 65 F 8.74 4.93 0.00 2.73 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.79 4.03 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 0.00 0.00 0.73 0.00 0.00 0.57 0.00 0.00 67 Q 8.07 4.95 0.00 1.79 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 68 D 8.55 4.51 0.00 2.79 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 69 G 8.73 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.02 4.09 0.00 1.62 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 0.00 2.23 2.24 0.00 71 R 7.49 3.89 0.00 1.95 2.00 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 72 H 8.58 4.65 0.00 3.13 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.37 4.73 0.00 2.77 2.74 0.00 0.00 6.98 8.18 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 74 A 8.42 4.04 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 75 G 8.42 3.25 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 0.00 76 Y 7.35 5.07 0.00 2.98 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 77 Y 9.06 4.87 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.31 4.74 0.00 1.81 1.66 0.00 3.15 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 79 I 8.49 4.41 1.88 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.66 0.00 0.00 80 R 8.99 4.22 0.00 1.83 1.96 0.00 3.58 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 81 T 7.55 4.76 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 82 W 9.41 4.39 0.00 3.42 3.45 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 83 G 8.15 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 84 P 0.00 4.52 0.00 2.22 2.20 0.00 3.91 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 2.15 2.01 0.00 85 I 7.90 4.19 2.31 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 1.10 0.00 0.00 86 S 8.45 4.42 0.00 3.83 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 87 S 7.96 2.85 0.00 2.89 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 88 A 7.71 4.27 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 89 W 7.98 4.14 0.00 3.32 3.30 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 0.00 *91 D 8.18 4.62 0.00 2.94 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 92 T 7.35 3.90 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 0.85 0.00 0.00 93 H 7.51 4.51 0.00 2.33 2.85 0.00 5.84 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.71 3.59 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 1.18 0.00 0.00 0.86 0.00 0.00 95 D 8.07 4.37 0.00 2.68 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 E 8.05 3.85 0.00 1.98 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 2.39 2.37 0.00 97 V 8.08 3.57 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 0.91 0.00 0.00 1.13 0.00 0.00 98 K 8.57 3.36 0.00 1.84 1.87 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.25 7.81 99 S 7.85 4.00 0.00 4.07 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 0.00 100 L 7.66 3.93 0.00 1.75 1.76 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.92 4.17 0.00 1.48 1.62 0.77 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.29 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 0.00 103 V 7.68 3.65 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 0.88 0.00 0.00 0.82 0.00 0.00 104 D 8.18 4.42 0.00 2.70 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 0.00 105 D 7.32 4.76 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 4.53 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 0.00 107 V 7.79 3.78 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 0.79 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.