NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9492 8.3393 109.7368 45.3426 0.0000 173.2648 0 S 4.1170 8.4311 113.7872 58.0557 63.5434 171.5230 1 M 4.6547 8.2343 119.7351 54.9827 35.7042 174.8917 2 L 4.3077 8.0013 123.4342 54.3185 45.0390 174.2584 3 N 4.7810 8.5678 123.9185 51.8446 39.9256 172.4975 4 K 4.8251 8.3093 125.1344 54.5078 35.6844 175.0989 5 V 4.4875 8.8007 126.6353 61.2677 34.6978 173.8645 6 M 5.0751 8.5890 126.0940 53.4584 34.9227 174.9318 7 L 4.6944 8.9026 123.0269 52.8326 46.0188 175.4894 8 I 4.7238 7.9285 123.5813 60.0796 39.8503 175.0638 9 G 3.8087 7.9755 113.5695 46.1372 0.0000 170.6327 10 Y 5.3200 7.8306 116.5858 55.7015 41.2231 175.8791 11 L 4.6732 8.8261 124.2371 55.4136 42.5729 178.0524 12 G 4.3315 9.5249 109.9797 46.8372 0.0000 173.1059 13 D 4.6691 7.7202 117.1315 52.2439 41.5515 175.2865 14 D 4.5099 8.6611 120.6454 53.8190 41.4269 174.8936 15 P 4.8019 0.0000 0.0000 63.0426 32.3953 174.9387 16 E 4.7038 9.3050 122.9508 54.5239 32.4330 174.3084 17 S 5.0812 8.8220 123.8645 57.6068 63.8035 173.7332 18 K 4.7467 8.9041 130.0667 53.6720 35.6864 171.8828 19 T 4.7859 8.3612 120.0423 62.0945 69.7800 175.1665 20 M 4.4423 9.2907 127.3471 54.3466 33.2390 177.2634 21 T 3.8623 8.6153 109.8693 65.1929 68.4329 175.6432 22 S 4.1251 8.0208 114.5839 58.9037 63.0836 175.2476 23 G 3.8893 8.2437 108.8049 45.4292 0.0000 173.6969 24 A 4.2292 7.8532 124.9891 52.4895 19.7055 177.1666 25 E 4.7754 8.7307 120.0477 55.5025 31.0720 174.2313 26 V 4.3784 9.1291 125.5673 59.9976 34.6060 174.2361 27 V 4.8109 8.3212 128.1388 61.4141 33.1990 174.1821 28 N 5.6534 9.2697 125.3207 50.4032 40.5855 173.2222 29 F 5.2181 7.9748 116.1397 56.9156 41.6566 173.1160 30 R 5.4260 9.1911 120.3062 55.4619 32.0349 175.7784 31 M 5.6703 9.5882 120.0946 52.8927 35.3886 173.9691 32 A 4.7837 9.0265 122.1738 50.2352 21.8725 175.7550 33 T 4.6482 8.3640 111.6218 59.9891 72.5366 172.6736 34 F 4.9117 7.6312 117.1590 56.9638 39.8605 174.4626 35 E 3.9820 9.2396 116.2772 59.1922 30.0355 179.0895 *47 E 4.4297 8.1600 119.8282 56.0793 31.3648 176.6184 48 K 4.7645 7.5583 116.1901 52.4937 36.0921 176.9514 49 T 4.4770 8.2381 106.9796 62.9185 69.9734 173.9068 50 E 4.5480 8.7133 123.4525 54.7700 31.6572 174.8192 51 W 5.1665 8.6845 124.2586 55.5329 30.8988 175.1617 52 H 5.0014 9.7206 122.2073 54.0272 31.5050 173.3060 53 S 4.8232 8.6934 117.4906 57.1041 63.9282 172.5057 54 V 4.6454 8.3620 128.0608 61.0941 33.7477 174.6162 55 V 4.3705 8.4475 126.7658 61.0441 34.6607 174.1668 56 V 4.3425 8.7524 129.0684 61.5960 32.4051 175.6085 57 F 4.4392 9.1173 128.0212 58.8143 40.4639 175.8419 58 N 4.6075 8.6938 116.9856 52.4856 38.8604 173.0882 59 P 4.2372 0.0000 0.0000 66.3011 31.2226 177.8279 60 H 4.0322 8.3220 117.8758 59.2145 29.7170 177.3262 61 F 4.4974 8.1178 118.7117 59.9563 38.8445 177.5344 62 A 4.1274 8.5406 123.5107 55.8346 18.2179 180.4235 63 K 3.9485 8.1948 122.1335 60.0255 31.7074 181.0556 64 I 4.0745 7.7391 120.7508 64.2940 37.0136 178.4438 65 A 4.0409 8.4340 121.6843 55.2253 18.0409 179.7468 66 L 3.9581 7.9072 116.4619 58.0174 41.7532 179.4357 67 Q 3.9560 8.0695 117.1333 57.9517 28.7867 176.5245 68 Y 4.7770 8.0457 114.6256 57.4631 40.1465 175.5859 69 L 4.6051 7.9111 120.0866 53.3177 43.3508 175.2309 70 H 4.9898 8.7751 119.4595 53.7835 31.9305 173.3346 71 K 3.9735 9.7376 122.3015 56.7426 31.5044 176.3382 72 G 4.1928 8.9134 112.9862 44.2613 0.0000 173.9856 73 S 4.4190 8.1384 116.8843 58.4446 64.3592 173.2497 74 K 4.5444 9.3060 125.5722 55.4846 33.5982 175.8657 75 V 4.8298 8.6353 125.9544 60.3004 35.5071 173.0134 76 Y 5.1253 8.9546 124.2347 56.2155 40.7026 174.2996 77 I 4.7132 8.3800 127.1621 59.2488 41.2141 174.1899 78 E 4.6393 8.7510 126.4382 54.6479 32.3312 173.5874 79 G 4.2515 8.7312 117.4287 45.3054 0.0000 170.8315 80 K 5.0522 9.0755 120.0692 54.8785 36.6082 175.4685 81 L 4.8147 8.8749 124.1941 54.7094 43.0312 176.0996 82 Q 4.6538 9.1738 124.4132 54.7378 33.4402 173.7233 83 T 5.2968 8.7134 120.1222 61.6504 71.5343 173.6618 84 R 4.6887 9.0751 124.7815 54.5305 32.6438 175.9489 85 K 3.8232 8.6743 126.4226 54.7483 32.4485 175.0268 *86 W 4.8985 8.0545 124.7062 54.3466 32.2034 174.0216 87 Q 4.5022 8.5947 122.0720 54.5666 28.4892 174.2962 88 D 4.6349 8.0342 118.8878 53.9744 42.8440 173.6761 *95 Y 5.1792 7.3779 116.3850 58.2360 39.4491 174.4101 96 T 4.7771 8.3071 118.1677 62.2949 73.1957 172.6167 97 T 5.0774 8.6500 122.0727 62.1395 70.4260 173.8247 98 E 4.9218 9.6904 125.3419 54.6469 34.5346 174.7867 99 I 4.6171 8.6963 123.5535 60.2083 38.8611 174.8428 100 V 4.6804 9.0599 128.1605 61.1647 34.0538 174.6841 101 L 5.0020 8.7755 128.7311 52.3403 42.6026 174.6572 102 P 4.7569 0.0000 0.0000 61.8213 32.4819 177.4587 103 Q 3.6568 8.3491 119.6110 59.0861 28.6184 178.0566 104 Y 4.9679 7.7020 110.2376 57.4462 39.2896 175.0901 105 K 4.6600 7.8769 119.5429 55.3952 35.3267 175.9523 106 G 3.9797 10.4037 106.7254 46.1180 0.0000 171.9539 107 E 3.9863 8.1727 117.6456 54.5502 33.4286 173.6703 108 L 5.0116 6.4127 127.4659 53.5591 45.2191 174.6799 109 H 4.9270 9.4457 125.8046 54.2596 33.2931 172.1674 110 L 4.5332 8.5104 125.5289 54.7431 42.0540 176.6307 111 L 4.7006 8.3768 120.9678 54.0051 43.6786 176.5507 112 D 4.5469 8.1934 123.8389 54.8005 40.7706 176.2601 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 G 8.34 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 0 S 8.43 4.12 0.00 4.07 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 1 M 8.23 4.65 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 2 L 8.00 4.31 0.00 1.58 1.47 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.57 4.78 0.00 2.66 2.67 0.00 0.00 6.80 6.68 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 4 K 8.31 4.83 0.00 1.74 1.60 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.42 7.81 5 V 8.80 4.49 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 0.85 0.00 0.00 0.93 0.00 0.00 6 M 8.59 5.08 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 7 L 8.90 4.69 0.00 1.30 1.33 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.93 4.72 1.82 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 1.43 0.83 0.77 0.00 0.00 9 G 7.98 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 0.00 0.00 0.00 10 Y 7.83 5.32 0.00 2.95 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 11 L 8.83 4.67 0.00 1.75 1.75 0.59 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.52 4.33 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 0.00 13 D 7.72 4.67 0.00 2.73 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 14 D 8.66 4.51 0.00 2.70 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 15 P 0.00 4.80 0.00 2.18 2.27 0.00 3.77 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 16 E 9.31 4.70 0.00 2.03 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 2.34 2.21 0.00 17 S 8.82 5.08 0.00 3.92 3.74 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 18 K 8.90 4.75 0.00 1.44 1.60 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.25 7.81 19 T 8.36 4.79 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 1.22 0.00 0.00 20 M 9.29 4.44 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 21 T 8.62 3.86 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 22 S 8.02 4.13 0.00 4.01 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 23 G 8.24 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 24 A 7.85 4.23 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 E 8.73 4.78 0.00 1.76 1.76 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 2.18 1.87 0.00 26 V 9.13 4.38 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 0.29 0.00 0.00 0.95 0.00 0.00 27 V 8.32 4.81 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 1.07 0.00 0.00 0.95 0.00 0.00 28 N 9.27 5.65 0.00 2.67 2.71 0.00 0.00 6.38 7.94 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 29 F 7.97 5.22 0.00 3.10 3.16 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 0.00 0.00 0.00 30 R 9.19 5.43 0.00 1.53 1.81 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 31 M 9.59 5.67 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 32 A 9.03 4.78 0.30 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 0.00 0.00 33 T 8.36 4.65 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 1.10 0.00 0.00 34 F 7.63 4.91 0.00 2.97 2.93 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 35 E 9.24 3.98 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 2.23 1.91 0.00 *47 E 8.16 4.43 0.00 1.99 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 2.22 2.32 0.00 48 K 7.56 4.76 0.00 1.71 1.53 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.97 7.81 49 T 8.24 4.48 4.39 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 1.06 0.00 0.00 50 E 8.71 4.55 0.00 1.87 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 2.25 2.43 0.00 51 W 8.68 5.17 0.00 3.18 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 52 H 9.72 5.00 0.00 3.07 3.20 0.00 5.60 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 53 S 8.69 4.82 0.00 3.93 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 54 V 8.36 4.65 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 0.00 0.00 0.49 0.00 0.00 0.84 0.00 0.00 55 V 8.45 4.37 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 0.33 0.00 0.00 0.79 0.00 0.00 56 V 8.75 4.34 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 1.08 0.00 0.00 0.83 0.00 0.00 57 F 9.12 4.44 0.00 3.03 3.16 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 0.00 0.00 0.00 58 N 8.69 4.61 0.00 3.18 3.01 0.00 0.00 7.42 7.71 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 59 P 0.00 4.24 0.00 2.30 2.31 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 60 H 8.32 4.03 0.00 3.13 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.12 4.50 0.00 3.20 3.08 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 62 A 8.54 4.13 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 63 K 8.19 3.95 0.00 1.78 1.83 0.00 1.83 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 1.36 7.81 64 I 7.74 4.07 2.16 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.47 1.11 0.00 0.00 65 A 8.43 4.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.96 0.00 1.76 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.07 3.96 0.00 1.47 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 68 Y 8.05 4.78 0.00 3.09 2.92 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 69 L 7.91 4.61 0.00 1.70 1.34 0.64 0.73 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 70 H 8.78 4.99 0.00 3.35 3.35 0.00 5.29 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 71 K 9.74 3.97 0.00 1.69 1.69 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.29 7.81 72 G 8.91 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 0.00 0.00 0.00 73 S 8.14 4.42 0.00 3.66 3.67 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 74 K 9.31 4.54 0.00 1.63 1.50 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.66 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.98 0.21 7.81 75 V 8.64 4.83 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 0.64 0.00 0.00 0.97 0.00 0.00 76 Y 8.95 5.13 0.00 2.96 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 77 I 8.38 4.71 1.68 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 1.12 1.07 0.75 0.00 0.00 78 E 8.75 4.64 0.00 1.78 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 2.15 2.19 0.00 79 G 8.73 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 0.00 0.00 0.00 0.00 80 K 9.08 5.05 0.00 1.89 2.01 0.00 1.32 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.36 7.81 81 L 8.87 4.81 0.00 1.65 1.68 0.93 0.69 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 82 Q 9.17 4.65 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 83 T 8.71 5.30 4.33 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 1.41 0.00 0.00 84 R 9.08 4.69 0.00 1.79 1.98 0.00 2.78 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 85 K 8.67 3.82 0.00 1.80 1.64 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *86 W 8.05 4.90 0.00 2.45 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 0.00 0.00 0.00 87 Q 8.59 4.50 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.83 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 88 D 8.03 4.63 0.00 2.63 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 *95 Y 7.38 5.18 0.00 2.77 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 96 T 8.31 4.78 4.27 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 1.24 0.00 0.00 97 T 8.65 5.08 4.28 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 1.29 0.00 0.00 98 E 9.69 4.92 0.00 1.83 1.77 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 2.19 2.26 0.00 99 I 8.70 4.62 1.80 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 1.05 0.47 0.83 0.00 0.00 100 V 9.06 4.68 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 1.27 0.00 0.00 1.03 0.00 0.00 101 L 8.78 5.00 0.00 1.71 1.71 0.83 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.76 0.00 2.21 2.15 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 103 Q 8.35 3.66 0.00 1.76 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.86 0.00 0.00 0.00 0.00 0.00 1.77 1.37 0.00 104 Y 7.70 4.97 0.00 3.03 2.93 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 0.00 105 K 7.88 4.66 0.00 1.80 1.79 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.45 7.81 106 G 10.40 3.98 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 0.00 0.00 0.00 107 E 8.17 3.99 0.00 2.07 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 2.41 2.37 0.00 108 L 6.41 5.01 0.00 1.36 1.08 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 109 H 9.45 4.93 0.00 3.37 3.19 0.00 5.83 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.51 4.53 0.00 1.48 1.53 0.62 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.38 4.70 0.00 1.44 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.19 4.55 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.