NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6804 8.3393 109.6849 45.7826 0.0000 175.6427 *2 T 4.0634 8.6689 115.8002 60.5844 70.5323 171.8878 *4 P 3.7584 0.0000 0.0000 62.7623 31.8760 175.7998 5 I 4.3789 7.1268 119.1330 60.2374 39.2966 175.6525 6 F 4.9240 8.8776 123.2641 55.4835 42.1233 174.1988 7 N 5.0191 8.3688 118.7628 51.6264 41.3552 174.9012 8 I 3.7183 8.5596 125.4368 64.0080 38.2163 176.6082 9 S 4.3829 8.3195 114.4069 59.3739 63.0640 174.1608 10 D 4.5285 7.8711 121.5261 54.3699 41.3110 177.0537 11 D 4.6440 8.2971 124.6998 52.5699 39.5557 175.0584 12 V 4.3323 7.1064 118.8321 61.9991 34.6462 174.7004 13 D 4.4613 8.8029 125.8318 55.2805 38.4514 173.7613 14 L 4.4774 7.8895 117.1665 54.6780 42.9166 177.0769 15 V 4.5221 8.7963 123.0021 60.2659 33.9613 173.1980 16 P 4.2350 0.0000 0.0000 63.5210 31.4280 174.0396 17 A 4.6307 8.7517 121.8528 52.4553 20.7868 175.4229 *19 P 4.2062 0.0000 0.0000 61.2125 33.2331 176.3571 20 A 3.2803 7.8873 120.9892 51.5145 18.7094 178.2410 21 E 3.7895 8.3419 118.1317 59.1811 29.3965 180.2478 22 G 4.1098 7.6009 107.5265 44.1813 0.0000 172.7305 23 R 4.7109 7.7737 117.0652 54.5273 34.2470 175.0001 24 D 4.8699 8.4435 115.8306 53.9486 42.6396 176.0205 25 G 3.9006 7.8405 106.5829 45.7262 0.0000 173.6560 26 G 3.8809 9.7074 108.6419 45.7527 0.0000 172.6689 27 S 4.6238 7.1889 113.3782 56.7328 65.4764 172.2267 28 Y 5.3428 8.2455 122.8719 56.6740 42.7452 173.6366 29 R 5.0390 9.4482 121.6352 54.7041 34.1392 174.2961 30 R 4.8024 8.9995 124.7253 54.4849 33.1769 173.8042 31 Q 4.3614 8.8594 128.4949 56.4519 29.2645 175.1512 32 I 3.9319 8.6170 127.5456 62.6803 38.6736 176.1089 33 W 5.1463 7.7152 129.9073 56.0570 34.1734 173.0521 34 Q 4.5089 7.3606 126.2409 53.6826 31.5537 174.1090 35 D 3.5211 7.9117 125.8911 53.6202 41.8913 176.3884 36 D 4.5151 7.9723 125.5861 53.0428 40.4239 174.0622 37 V 4.5589 6.7492 114.4046 59.6277 36.4236 176.6548 38 E 3.8480 8.7350 119.0734 59.9238 29.5573 177.9040 39 N 4.8896 7.4436 114.0483 52.5112 40.3750 172.7789 40 G 4.2416 7.4791 110.3197 43.2774 0.0000 170.5979 41 T 4.3597 8.3096 115.0473 63.9159 69.7079 173.8552 42 I 5.0341 8.7950 125.3121 59.4911 41.2475 174.4836 43 V 4.9807 9.2146 125.8371 61.1696 33.9693 174.2089 44 A 5.0568 8.9622 128.3532 50.4395 23.1778 174.9727 45 V 4.4336 8.8538 120.7556 62.2093 33.3981 174.9335 46 W 5.7295 9.0373 135.0000 54.3674 34.8005 173.3385 *48 A 4.2053 8.2728 120.7718 51.7236 19.2577 176.2433 49 E 4.7569 8.8023 120.3859 54.0967 31.4997 174.6350 50 P 4.3075 0.0000 0.0000 62.6193 31.8757 176.9526 51 G 4.0726 7.5133 108.9818 44.5766 0.0000 170.7462 52 I 4.7760 7.4257 120.2620 59.9030 39.3151 174.8563 53 Y 4.7256 9.1109 124.3864 56.3291 40.9005 174.1559 54 N 5.2016 8.3693 121.7276 51.6033 41.0498 174.1714 55 Y 4.7573 8.7834 119.9640 55.9863 41.8215 175.4054 56 A 4.6014 8.8630 125.9433 51.0991 19.8428 177.0106 57 G 3.9959 8.5047 106.2682 46.3451 0.0000 173.4030 58 R 4.8141 8.4232 120.7140 53.5022 34.8868 175.0262 59 D 5.0820 8.1453 121.8641 52.2916 39.1639 175.2330 60 L 4.9357 7.3513 118.7176 54.9885 44.4172 175.3022 61 E 5.0620 9.0933 120.3895 54.8610 32.1658 174.7744 62 E 5.1502 8.9893 123.5288 54.8289 33.7986 174.1853 63 T 5.2239 8.8617 121.9743 61.7166 72.3855 172.9863 64 F 5.6446 9.0556 120.7012 54.9427 42.1936 173.9519 65 V 4.9474 8.6802 118.6499 59.7948 34.4518 174.9376 66 V 3.8483 8.8947 125.1730 63.0006 31.8937 176.2902 67 V 4.1581 8.4708 127.6443 63.6256 33.4071 175.6919 68 E 4.5656 7.5387 118.1675 55.5058 33.9767 176.8743 69 G 4.4914 9.0656 107.9885 46.4235 0.0000 171.5192 70 E 5.4637 8.6692 116.2231 54.8152 33.9294 175.2518 71 A 5.1209 9.0141 121.9467 50.8552 23.5031 175.2207 72 L 4.9428 8.9243 120.7719 54.1207 43.5852 175.4619 73 Y 5.4298 9.1566 124.4217 55.9810 42.4523 174.0514 74 S 4.7894 8.2246 119.2792 56.8136 67.1453 172.6972 75 Q 4.9228 8.2732 119.0384 54.0220 32.2663 175.8087 76 A 3.4447 8.7850 128.2955 54.7082 18.3144 178.1994 77 D 4.7756 8.7222 116.1749 55.2010 39.7853 175.4683 78 A 4.3389 7.8571 122.9888 52.4348 19.0692 178.3292 79 D 4.4926 8.4157 120.8740 53.7140 41.5420 175.0421 80 P 4.7997 0.0000 0.0000 62.8888 32.2755 176.0309 81 V 4.6264 8.6571 114.8429 59.2731 35.9373 174.7264 82 K 4.8295 8.7536 124.9270 56.2302 32.7878 176.0338 83 I 4.6250 9.0670 121.3658 59.8865 41.0119 175.4493 84 G 4.7044 8.5148 110.2092 44.4347 0.0000 170.3430 85 P 4.4479 0.0000 0.0000 64.4402 31.4622 176.9344 86 G 3.9690 9.1021 112.6260 44.9816 0.0000 173.6753 87 S 4.2927 8.2980 117.6160 58.5435 63.8717 173.1803 88 I 4.6939 8.2508 125.4526 59.4277 39.1867 175.1426 89 V 4.0981 8.2036 126.8247 60.9330 34.1918 174.2261 90 S 5.2103 8.5601 123.1260 56.8228 65.6062 173.5152 91 I 4.6253 8.7954 123.8560 59.4403 40.3065 175.2436 92 A 5.0456 8.5620 128.5528 50.1081 20.2267 176.3936 93 K 4.4057 8.1830 120.2606 57.6440 32.5358 177.5535 94 G 3.8939 9.1658 113.6233 45.4581 0.0000 172.4448 95 V 4.2507 7.5337 121.1017 61.0329 32.8013 173.8670 96 P 4.7680 0.0000 0.0000 62.8105 33.2464 174.9575 97 S 5.0426 9.0859 114.4910 57.1707 67.2841 172.7361 98 R 5.0041 8.8782 120.8310 54.6161 33.4897 173.3913 99 L 5.2068 9.4066 128.3808 53.5137 45.1539 174.7569 100 E 4.9753 9.4211 129.5339 54.5561 30.7798 174.5363 101 I 4.1059 8.9405 129.3360 61.3869 37.6728 176.9738 102 L 4.6332 9.1239 127.1749 55.8743 42.9574 176.8789 103 S 4.7402 8.0667 110.7768 56.4023 65.8537 174.1626 104 S 4.2347 8.6504 116.1353 59.1323 63.4614 173.2072 105 F 5.2696 8.9828 127.0105 56.4383 41.9464 174.5745 106 R 4.8838 8.5059 123.9450 54.2685 34.1757 174.3140 107 K 4.8964 8.9930 122.3953 54.8376 36.5952 174.5814 108 L 5.1415 8.6595 123.3152 53.4457 44.1383 174.7857 109 A 5.3073 9.0916 128.5217 50.4846 22.2471 174.8350 110 T 4.9538 9.0358 118.6194 61.7630 71.3129 173.5966 111 V 4.8244 8.9606 126.7326 61.0740 34.5691 174.1256 112 I 4.7385 8.7754 129.2150 58.7255 39.2672 173.3648 113 P 4.5205 0.0000 0.0000 62.5366 31.7784 177.5063 114 K 4.7308 8.4952 122.3813 53.9387 32.1600 174.7937 115 P 4.3910 0.0000 0.0000 62.8968 31.2440 177.2995 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 0 G 8.34 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 *2 T 8.67 4.06 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 1.19 0.00 0.00 *4 P 0.00 3.76 0.00 2.32 2.22 0.00 3.43 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 5 I 7.13 4.38 1.80 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 1.41 0.62 0.92 0.00 0.00 6 F 8.88 4.92 0.00 2.87 2.96 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 7 N 8.37 5.02 0.00 2.69 2.78 0.00 0.00 6.50 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 8 I 8.56 3.72 1.86 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 1.37 0.90 0.88 0.00 0.00 9 S 8.32 4.38 0.00 4.02 3.87 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 10 D 7.87 4.53 0.00 2.86 2.61 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 11 D 8.30 4.64 0.00 2.57 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 12 V 7.11 4.33 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 0.88 0.00 0.00 0.94 0.00 0.00 13 D 8.80 4.46 0.00 2.88 2.75 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 14 L 7.89 4.48 0.00 1.41 1.54 0.41 0.87 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 15 V 8.80 4.52 2.17 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 1.10 0.00 0.00 0.99 0.00 0.00 16 P 0.00 4.24 0.00 1.97 1.85 0.00 3.75 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 2.29 0.00 17 A 8.75 4.63 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 *19 P 0.00 4.21 0.00 2.28 2.11 0.00 3.80 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 1.85 1.95 0.00 20 A 7.89 3.28 0.63 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 21 E 8.34 3.79 0.00 1.99 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 2.33 2.15 0.00 22 G 7.60 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.77 4.71 0.00 1.79 1.75 0.00 3.20 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 24 D 8.44 4.87 0.00 2.59 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 25 G 7.84 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 0.00 0.00 0.00 26 G 9.71 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 27 S 7.19 4.62 0.00 4.00 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 28 Y 8.25 5.34 0.00 2.81 2.75 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 29 R 9.45 5.04 0.00 2.05 1.87 0.00 3.07 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 30 R 9.00 4.80 0.00 1.89 1.73 0.00 3.23 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.81 0.00 31 Q 8.86 4.36 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 32 I 8.62 3.93 1.84 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 0.94 0.74 0.30 0.00 0.00 33 W 7.72 5.15 0.00 3.31 2.97 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 34 Q 7.36 4.51 0.00 1.83 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 1.93 2.26 0.00 35 D 7.91 3.52 0.00 2.70 2.44 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 36 D 7.97 4.52 0.00 2.57 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 0.00 0.00 0.00 0.00 37 V 6.75 4.56 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 0.82 0.00 0.00 0.97 0.00 0.00 38 E 8.74 3.85 0.00 1.94 2.00 0.00 0.00 0.00 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 2.28 0.00 39 N 7.44 4.89 0.00 2.65 2.66 0.00 0.00 7.05 7.86 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 40 G 7.48 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 41 T 8.31 4.36 4.47 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 1.36 0.00 0.00 42 I 8.79 5.03 1.88 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 1.04 0.99 0.97 0.00 0.00 43 V 9.21 4.98 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 1.09 0.00 0.00 1.06 0.00 0.00 44 A 8.96 5.06 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 45 V 8.85 4.43 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 1.03 0.00 0.00 0.89 0.00 0.00 46 W 9.04 5.73 0.00 3.28 2.99 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 *48 A 8.27 4.21 -0.12 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 0.00 0.00 0.00 0.00 0.00 49 E 8.80 4.76 0.00 1.89 1.93 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 2.32 2.46 0.00 50 P 0.00 4.31 0.00 2.06 2.13 0.00 3.79 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 2.07 2.16 0.00 51 G 7.51 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 52 I 7.43 4.78 1.86 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 1.29 0.86 0.88 0.00 0.00 53 Y 9.11 4.73 0.00 3.02 2.81 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 54 N 8.37 5.20 0.00 2.37 2.57 0.00 0.00 6.94 7.46 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 55 Y 8.78 4.76 0.00 2.87 2.81 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 56 A 8.86 4.60 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 57 G 8.50 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 0.00 0.00 0.00 58 R 8.42 4.81 0.00 1.72 1.78 0.00 3.12 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 59 D 8.15 5.08 0.00 2.60 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 60 L 7.35 4.94 0.00 1.85 1.71 0.90 0.56 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 61 E 9.09 5.06 0.00 1.88 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 2.24 2.38 0.00 62 E 8.99 5.15 0.00 2.01 1.75 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 2.32 2.48 0.00 63 T 8.86 5.22 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 1.19 0.00 0.00 64 F 9.06 5.64 0.00 3.03 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 65 V 8.68 4.95 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 0.76 0.00 0.00 0.98 0.00 0.00 66 V 8.89 3.85 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 0.72 0.00 0.00 1.23 0.00 0.00 67 V 8.47 4.16 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 0.78 0.00 0.00 0.88 0.00 0.00 68 E 7.54 4.57 0.00 1.78 1.70 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 2.23 2.21 0.00 69 G 9.07 4.49 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 0.00 0.00 0.00 70 E 8.67 5.46 0.00 2.01 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 2.29 2.30 0.00 71 A 9.01 5.12 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 72 L 8.92 4.94 0.00 1.67 1.65 1.02 1.01 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 73 Y 9.16 5.43 0.00 3.15 2.98 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 0.00 0.00 0.00 74 S 8.22 4.79 0.00 3.91 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 75 Q 8.27 4.92 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.87 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 76 A 8.79 3.44 1.07 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 77 D 8.72 4.78 0.00 2.70 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 78 A 7.86 4.34 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 79 D 8.42 4.49 0.00 2.69 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 80 P 0.00 4.80 0.00 1.96 2.00 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 81 V 8.66 4.63 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 0.74 0.00 0.00 1.06 0.00 0.00 82 K 8.75 4.83 0.00 1.83 1.77 0.00 1.78 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.64 7.81 83 I 9.07 4.63 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.94 0.00 0.00 84 G 8.51 4.70 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 0.00 0.00 0.00 85 P 0.00 4.45 0.00 2.04 2.16 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 86 G 9.10 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 87 S 8.30 4.29 0.00 3.87 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 88 I 8.25 4.69 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.86 0.00 0.00 89 V 8.20 4.10 0.67 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 0.47 0.00 0.00 0.27 0.00 0.00 90 S 8.56 5.21 0.00 3.72 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 91 I 8.80 4.63 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.98 0.00 0.00 92 A 8.56 5.05 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 93 K 8.18 4.41 0.00 1.79 1.77 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.56 7.81 94 G 9.17 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 95 V 7.53 4.25 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 1.03 0.00 0.00 0.99 0.00 0.00 96 P 0.00 4.77 0.00 2.16 2.16 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 97 S 9.09 5.04 0.00 3.85 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 98 R 8.88 5.00 0.00 1.77 1.66 0.00 2.99 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 99 L 9.41 5.21 0.00 2.01 1.72 1.05 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 100 E 9.42 4.98 0.00 2.07 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 2.26 2.30 0.00 101 I 8.94 4.11 2.13 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.65 1.01 0.00 0.00 102 L 9.12 4.63 0.00 1.65 1.76 0.98 0.82 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 0.00 103 S 8.07 4.74 0.00 3.86 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 0.00 104 S 8.65 4.23 0.00 3.82 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 0.00 105 F 8.98 5.27 0.00 3.07 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 0.00 106 R 8.51 4.88 0.00 1.59 1.64 0.00 3.06 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 107 K 8.99 4.90 0.00 1.85 1.59 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.58 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.53 1.33 7.81 108 L 8.66 5.14 0.00 1.77 1.56 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 109 A 9.09 5.31 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 0.00 110 T 9.04 4.95 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 1.25 0.00 0.00 111 V 8.96 4.82 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 0.97 0.00 0.00 0.91 0.00 0.00 112 I 8.78 4.74 1.89 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 1.25 0.60 0.93 0.00 0.00 113 P 0.00 4.52 0.00 1.93 1.98 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 114 K 8.50 4.73 0.00 1.58 1.69 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.52 7.81 115 P 0.00 4.39 0.00 2.17 2.04 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.