NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 G 3.8839 8.3549 109.7298 44.6637 0.0000 174.1436 -5 F 4.3549 8.0971 114.0129 56.1734 40.2994 175.2379 -4 Q 4.0437 8.8248 124.5998 58.9311 29.7414 178.7907 -3 S 3.9480 8.0579 111.5426 61.1180 63.0018 175.1715 -2 N 4.6564 8.3952 118.1274 55.4539 38.8299 175.1993 -1 A 4.2079 7.7820 119.4109 52.9615 19.4392 176.3417 -5 M 4.2149 8.0771 113.3129 53.8734 33.5994 175.7379 -4 K 4.0237 8.7948 125.1998 59.4311 33.4414 179.3907 -3 Q 3.8180 8.0679 115.6426 58.5180 28.6018 176.5715 -2 E 4.2664 8.4152 119.6274 58.9539 29.8299 176.5993 -1 T 4.2379 7.6920 109.2108 62.2615 70.1392 173.2417 6 P 4.5180 0.0000 0.0000 62.5266 32.7530 175.4400 7 I 5.1132 8.5430 116.6230 59.5266 41.8233 173.9294 8 T 5.0188 8.8254 120.0108 62.0268 70.8000 173.7685 9 L 5.3233 8.9469 126.0121 53.1846 45.4332 175.0330 10 H 5.1511 9.2359 121.6399 54.4654 33.1917 172.0105 11 V 4.4634 8.2008 126.1388 60.7348 34.0367 174.0056 12 K 4.8956 8.8940 129.0403 54.6517 35.4520 174.7825 13 S 5.2095 9.5672 123.1174 56.7500 66.6750 172.9346 14 V 4.6474 8.7209 124.9605 61.4802 33.2559 174.5469 15 I 4.9752 8.7039 128.2053 59.4550 41.1861 174.1800 16 E 5.1424 9.0640 125.4764 54.5629 32.9614 174.6919 17 D 4.4366 9.1301 124.0263 52.7182 44.2438 174.8620 18 D 4.1985 9.5529 128.3323 55.1191 39.3918 173.4371 19 G 3.9931 8.1277 108.0227 45.1714 0.0000 172.0649 20 N 4.7455 8.0411 118.5801 52.2869 40.1380 173.1628 21 Q 5.0532 8.3432 124.8309 54.4035 32.0914 173.8615 22 E 4.7610 9.0414 125.4462 54.6577 33.8430 173.6202 23 V 4.8088 8.4108 124.8102 61.0655 33.9832 174.3061 24 I 4.8167 8.9321 128.3202 59.1598 40.8993 173.8207 25 E 5.4004 8.8017 125.7768 54.8602 32.7786 174.1513 26 F 5.2479 8.8202 115.5178 55.5020 42.0539 173.4790 27 R 5.3810 8.5247 117.2689 54.1317 33.9371 174.3663 28 T 4.5593 8.2016 115.8292 62.1525 71.0511 171.3916 29 T 4.8293 8.1615 112.8256 60.0714 71.4625 174.3616 30 G 4.1681 7.7178 106.6234 46.7424 0.0000 172.1082 31 F 5.8972 8.8507 119.8732 56.1025 43.6205 173.3475 32 Y 5.1064 8.8467 123.6185 56.4554 40.4688 173.9050 33 Y 4.9490 7.7894 122.7391 56.1530 42.1915 173.1912 34 V 4.9464 8.4131 119.1666 61.0576 34.3690 174.6642 35 K 4.7135 9.0256 126.1220 55.2601 35.8305 176.6099 36 Q 3.4289 9.7075 123.9760 57.2453 26.3604 173.2893 37 N 4.3008 8.4187 108.8304 54.4110 37.9245 173.0757 38 K 4.6254 7.9612 114.5220 53.7737 35.4281 175.4026 39 V 4.2048 7.9166 121.7869 62.5507 33.1365 174.2422 40 Y 4.9369 8.5371 124.7037 55.9536 41.6875 174.4050 41 L 5.3756 8.6510 122.5236 52.9213 45.2795 175.6882 42 S 5.2553 9.1634 117.3594 57.0625 66.6520 172.5360 43 Y 5.1184 8.0377 119.3492 57.1012 41.6145 172.0985 44 Y 5.3241 9.0108 116.4506 56.2514 41.2083 175.1168 45 E 4.7866 9.4096 119.3437 54.8254 33.9052 173.7339 46 E 4.9130 8.5485 119.4314 54.9842 31.5427 175.2621 47 H 4.9373 9.0044 123.6748 53.8920 32.5522 174.5507 48 D 4.4082 8.4788 122.6157 57.4315 40.5939 177.9698 49 L 4.4363 8.6883 115.4363 54.4209 42.6442 176.1056 50 G 3.7355 7.4074 106.0634 44.0514 0.0000 172.6141 51 K 4.4598 8.6391 122.1456 56.2840 33.7929 177.2778 52 V 4.8955 8.9215 126.8453 60.9771 34.5429 173.9265 53 K 4.5146 9.0068 129.5119 55.5078 34.1192 175.1802 54 T 4.8257 8.3703 123.4717 61.6801 72.0583 172.7792 55 I 4.8628 8.5638 127.1528 59.3612 40.5291 174.5456 56 V 4.7337 8.8684 127.4258 60.9353 33.7848 174.0363 57 K 4.2532 9.0767 129.5663 54.3576 34.6103 174.4740 58 V 4.4970 7.9780 127.7169 61.3255 32.8828 174.8881 59 S 4.6838 8.7243 122.9102 55.9025 66.5374 172.6325 60 E 3.9608 8.5892 122.2777 57.6670 29.4832 176.6598 61 G 3.9598 10.0834 113.9336 45.5678 0.0000 171.5129 62 E 5.2163 7.5681 117.7901 54.9607 33.7957 174.0807 63 V 4.8021 8.9750 125.2002 61.0266 35.4611 173.5722 64 L 5.1131 8.9700 129.7656 53.2687 44.6513 174.8829 65 V 4.7099 8.9168 126.9653 61.6398 33.8005 174.3063 66 M 4.9449 9.1659 129.7575 54.1112 33.4576 175.3188 67 R 5.0871 8.9461 124.3788 54.6919 32.7426 175.9954 68 S 4.8287 8.4239 116.3843 55.6805 67.3974 175.9948 69 G 4.1642 8.9162 108.2123 43.9619 0.0000 176.7792 70 A 4.1090 8.4162 127.5921 53.5895 18.8419 177.6901 71 V 4.1403 7.5487 114.9112 60.7526 35.2616 174.2378 72 K 4.6048 8.5359 129.0333 55.0181 34.4696 174.4081 73 M 4.9488 8.6155 126.5992 55.0782 36.2608 173.2718 74 N 4.9971 8.7478 124.0416 51.7505 39.2427 172.7367 75 Q 3.9924 8.8786 125.4609 54.9565 30.4625 174.1868 76 R 4.6685 8.1622 127.7771 54.6867 31.6118 175.1746 77 F 4.5561 9.1566 127.3350 55.6922 40.5115 175.4146 78 V 4.7169 8.2200 124.0785 60.8999 34.1402 174.9689 79 T 3.9918 8.3704 125.3251 65.4985 68.6972 174.5863 80 G 3.8932 9.3233 113.4518 45.7982 0.0000 172.4656 81 A 4.9193 8.0027 120.6126 50.1433 23.2657 175.5976 82 S 5.3880 8.6443 113.3685 56.8264 65.5405 173.5979 83 T 4.7767 8.8961 111.8532 60.0065 72.3766 172.4682 84 I 5.0906 8.2698 122.2485 59.7066 40.1365 174.8220 85 A 4.7246 8.6003 126.3154 50.2120 23.2921 175.3437 86 K 4.3697 8.6233 119.5907 56.3716 33.9220 175.5323 87 Y 4.5937 9.0390 126.8703 56.3034 40.0914 174.1266 88 K 4.9579 8.5810 127.1180 54.8580 35.1883 175.7240 89 M 4.8130 8.6297 124.0526 52.8026 35.3898 176.9605 90 S 4.0051 8.4232 113.7284 60.6950 63.1083 175.0319 91 F 4.8114 7.9948 113.2553 55.2876 38.4286 175.6653 92 G 3.9949 6.1507 109.6394 46.1759 0.0000 170.8485 93 E 5.2239 7.9164 115.9465 55.3754 32.7862 174.3654 94 L 4.7119 8.7195 121.6742 53.5702 46.0119 174.7337 95 E 4.5987 8.9364 125.9175 56.4350 30.3739 176.0514 96 L 4.7794 8.8709 123.9486 52.7347 45.2748 175.1482 97 K 4.9564 8.6680 124.3690 55.0542 34.5711 174.8856 98 T 4.8485 8.9171 124.1273 61.9594 71.4841 173.1626 99 S 5.0806 9.2797 124.0367 57.2294 64.9326 173.3254 100 T 4.8353 8.5913 122.7582 62.5848 69.5377 176.1034 101 K 4.4168 9.2399 126.6137 58.5607 33.4252 177.3151 102 S 4.7546 7.6767 111.6850 57.3604 66.1485 173.7268 103 I 5.1860 8.2818 121.4994 59.8045 40.7723 174.6137 104 Q 4.8394 9.2815 125.6573 54.0733 32.0844 174.7279 105 S 5.1509 8.5710 116.7047 56.8945 66.8285 173.2485 106 D 4.6102 9.0838 121.5645 53.2340 44.0994 174.1187 107 L 5.1628 8.5364 125.6902 53.0903 45.2519 175.6372 108 D 4.7629 8.6373 121.6711 52.3646 42.1654 175.2631 109 E 2.7770 8.4553 115.5222 57.7109 30.1540 176.8795 110 E 4.5271 8.3306 119.6777 57.7197 31.6837 175.8262 111 K 4.2453 7.6231 115.8180 56.4440 36.3933 174.4638 112 G 3.9230 6.8941 106.5797 45.8333 0.0000 172.2688 113 R 5.2562 8.6134 119.8421 54.7858 34.0969 173.6457 114 I 5.0236 9.1313 126.7201 59.6101 40.8128 174.4937 115 S 5.1747 9.3561 122.8743 56.7414 66.2621 173.1392 116 I 5.0240 8.9795 125.0854 59.4236 40.7907 174.0579 117 A 5.2931 8.8073 129.3215 50.5079 21.0098 175.2059 118 Y 5.3038 8.8850 119.9028 56.1214 42.1723 172.9940 119 D 5.4713 9.4475 120.5387 52.9329 43.8061 174.8555 120 M 5.3446 8.3007 124.6440 54.2089 35.0658 174.6681 121 H 4.3470 8.1302 114.1626 55.4358 31.7724 175.3259 122 V 3.5610 8.8963 119.8030 64.9104 32.6014 178.0502 123 G 3.4351 7.6277 107.9543 46.2074 0.0000 174.7294 *128 H 4.6478 8.3503 121.4841 55.6978 30.2331 171.8763 129 L 4.7018 8.5403 124.2754 54.1429 43.0707 175.8562 130 H 5.0899 9.1501 120.9780 53.7420 32.5852 172.3256 131 N 5.1972 9.1861 121.0532 52.1958 41.5957 172.3325 132 M 5.1042 9.1625 127.2951 54.0621 34.9904 174.5116 133 T 5.0123 9.0799 122.5376 61.8618 72.1862 172.7696 134 I 4.7851 8.8780 128.4718 59.7828 39.2705 174.9763 135 T 5.2502 8.8904 117.7754 60.2064 72.3491 172.4879 136 Y 5.3386 8.0962 119.7124 55.9872 42.1551 173.0382 137 E 4.9528 9.2094 120.5744 53.9469 33.2515 175.0830 138 G 3.9299 8.8755 114.5230 47.7735 0.0000 173.5354 139 G 4.0497 9.0227 111.4931 46.5544 0.0000 174.1258 140 T 3.8486 8.4631 117.6825 63.9031 68.6907 172.2802 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 -6 G 8.35 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 -5 F 8.10 4.35 0.00 3.04 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 -4 Q 8.82 4.04 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.25 0.00 -3 S 8.06 3.95 0.00 3.86 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 -2 N 8.40 4.66 0.00 2.72 3.11 0.00 0.00 7.07 8.12 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 -1 A 7.78 4.21 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 -5 M 8.08 4.21 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 -4 K 8.79 4.02 0.00 1.70 1.81 0.00 0.61 0.00 0.00 1.87 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.33 7.81 -3 Q 8.07 3.82 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 -2 E 8.42 4.27 0.00 1.95 2.32 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 2.32 2.36 0.00 -1 T 7.69 4.24 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 P 0.00 4.52 0.00 2.05 1.83 0.00 3.62 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 7 I 8.54 5.11 1.96 0.00 0.00 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 1.27 0.86 0.98 0.00 0.00 8 T 8.83 5.02 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 1.21 0.00 0.00 9 L 8.95 5.32 0.00 1.44 1.25 0.73 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 10 H 9.24 5.15 0.00 3.07 3.04 0.00 5.72 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.20 4.46 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 0.78 0.00 0.00 0.38 0.00 0.00 12 K 8.89 4.90 0.00 1.53 1.42 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.33 7.81 13 S 9.57 5.21 0.00 3.78 3.73 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 14 V 8.72 4.65 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 1.00 0.00 0.00 0.90 0.00 0.00 15 I 8.70 4.98 1.79 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 0.94 0.65 0.68 0.00 0.00 16 E 9.06 5.14 0.00 1.81 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 2.17 2.16 0.00 17 D 9.13 4.44 0.00 2.54 2.39 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 18 D 9.55 4.20 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 20 N 8.04 4.75 0.00 2.77 2.76 0.00 0.00 6.41 8.32 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 21 Q 8.34 5.05 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 22 E 9.04 4.76 0.00 2.04 1.68 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 2.20 2.25 0.00 23 V 8.41 4.81 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 0.89 0.00 0.00 0.92 0.00 0.00 24 I 8.93 4.82 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 1.01 0.00 0.00 25 E 8.80 5.40 0.00 1.99 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 2.21 2.36 0.00 26 F 8.82 5.25 0.00 3.09 3.17 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 0.00 0.00 0.00 0.00 27 R 8.52 5.38 0.00 1.72 1.85 0.00 3.30 0.00 0.00 3.79 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 28 T 8.20 4.56 4.40 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 1.35 0.00 0.00 29 T 8.16 4.83 4.15 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 0.00 0.00 0.00 1.21 0.00 0.00 30 G 7.72 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.85 5.90 0.00 3.14 3.12 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 32 Y 8.85 5.11 0.00 2.66 2.76 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 33 Y 7.79 4.95 0.00 3.16 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 34 V 8.41 4.95 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 0.98 0.00 0.00 0.89 0.00 0.00 35 K 9.03 4.71 0.00 1.73 1.64 0.00 1.80 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.45 1.25 7.81 36 Q 9.71 3.43 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 37 N 8.42 4.30 0.00 2.85 2.90 0.00 0.00 7.04 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 38 K 7.96 4.63 0.00 1.95 1.57 0.00 1.71 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.50 7.81 39 V 7.92 4.20 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 0.82 0.00 0.00 0.98 0.00 0.00 40 Y 8.54 4.94 0.00 1.43 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 0.00 0.00 0.00 0.00 41 L 8.65 5.38 0.00 1.66 1.60 0.97 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 42 S 9.16 5.26 0.00 3.87 4.17 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 0.00 0.00 0.00 0.00 43 Y 8.04 5.12 0.00 3.15 3.09 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 0.00 0.00 0.00 44 Y 9.01 5.32 0.00 2.93 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 45 E 9.41 4.79 0.00 1.57 1.78 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 2.20 2.24 0.00 46 E 8.55 4.91 0.00 1.82 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 2.22 2.22 0.00 47 H 9.00 4.94 0.00 3.12 3.29 0.00 5.61 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 48 D 8.48 4.41 0.00 2.70 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 49 L 8.69 4.44 0.00 1.71 1.78 1.18 1.05 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 50 G 7.41 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 0.00 0.00 0.00 51 K 8.64 4.46 0.00 1.86 1.70 0.00 1.56 0.00 0.00 1.35 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.67 1.65 7.81 52 V 8.92 4.90 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 0.96 0.00 0.00 0.94 0.00 0.00 53 K 9.01 4.51 0.00 1.89 1.57 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.11 0.78 7.81 54 T 8.37 4.83 3.07 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 0.94 0.00 0.00 55 I 8.56 4.86 1.87 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 1.11 0.58 1.08 0.00 0.00 56 V 8.87 4.73 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 0.99 0.00 0.00 1.02 0.00 0.00 57 K 9.08 4.25 0.00 1.46 1.42 0.00 1.68 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.95 0.26 7.81 58 V 7.98 4.50 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 0.78 0.00 0.00 0.85 0.00 0.00 59 S 8.72 4.68 0.00 3.93 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 60 E 8.59 3.96 0.00 1.92 1.87 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 2.29 2.31 0.00 61 G 10.08 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 0.00 0.00 0.00 62 E 7.57 5.22 0.00 2.14 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 0.00 2.19 2.24 0.00 63 V 8.98 4.80 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 0.77 0.00 0.00 0.88 0.00 0.00 64 L 8.97 5.11 0.00 1.73 1.43 0.91 0.77 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 65 V 8.92 4.71 2.23 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 0.98 0.00 0.00 1.13 0.00 0.00 66 M 9.17 4.94 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 67 R 8.95 5.09 0.00 1.77 1.74 0.00 3.10 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 68 S 8.42 4.83 0.00 3.77 3.84 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 69 G 8.92 4.16 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 0.00 0.00 0.00 70 A 8.42 4.11 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 71 V 7.55 4.14 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 0.51 0.00 0.00 0.62 0.00 0.00 72 K 8.54 4.60 0.00 1.74 1.60 0.00 1.71 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.28 7.81 73 M 8.62 4.95 0.00 2.08 1.73 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.34 0.00 74 N 8.75 5.00 0.00 2.57 2.70 0.00 0.00 6.97 7.69 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 75 Q 8.88 3.99 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 76 R 8.16 4.67 0.00 1.73 1.68 0.00 3.23 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 77 F 9.16 4.56 0.00 2.96 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 78 V 8.22 4.72 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 1.03 0.00 0.00 0.92 0.00 0.00 79 T 8.37 3.99 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 1.27 0.00 0.00 80 G 9.32 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 81 A 8.00 4.92 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 82 S 8.64 5.39 0.00 3.84 3.84 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 83 T 8.90 4.78 4.16 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 1.18 0.00 0.00 84 I 8.27 5.09 1.85 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 1.26 0.66 0.92 0.00 0.00 85 A 8.60 4.72 1.16 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 0.00 0.00 86 K 8.62 4.37 0.00 1.71 1.73 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.43 7.81 87 Y 9.04 4.59 0.00 3.06 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 88 K 8.58 4.96 0.00 1.55 1.54 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.30 7.81 89 M 8.63 4.81 0.00 1.06 1.21 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 90 S 8.42 4.01 0.00 3.98 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 91 F 7.99 4.81 0.00 3.12 3.21 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 92 G 6.15 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 93 E 7.92 5.22 0.00 2.03 1.85 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 2.18 2.32 0.00 94 L 8.72 4.71 0.00 1.78 1.51 0.93 1.15 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 95 E 8.94 4.60 0.00 1.90 1.87 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 2.32 2.35 0.00 96 L 8.87 4.78 0.00 1.55 1.49 0.78 0.21 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 97 K 8.67 4.96 0.00 1.84 1.60 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.54 7.81 98 T 8.92 4.85 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 0.87 0.00 0.00 99 S 9.28 5.08 0.00 3.88 3.82 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 0.00 100 T 8.59 4.84 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 1.33 0.00 0.00 101 K 9.24 4.42 0.00 1.76 1.89 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.56 7.81 102 S 7.68 4.75 0.00 3.86 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 I 8.28 5.19 1.87 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 1.29 0.68 0.87 0.00 0.00 104 Q 9.28 4.84 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 105 S 8.57 5.15 0.00 3.82 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 0.00 106 D 9.08 4.61 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 5.16 0.00 1.77 1.83 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.64 4.76 0.00 2.85 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 0.00 109 E 8.46 2.78 0.00 1.94 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 2.20 2.35 0.00 110 E 8.33 4.53 0.00 2.00 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 0.00 2.21 2.19 0.00 111 K 7.62 4.25 0.00 1.53 1.66 0.00 1.23 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.13 1.15 7.81 112 G 6.89 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 0.00 0.00 0.00 113 R 8.61 5.26 0.00 1.76 1.65 0.00 2.98 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 114 I 9.13 5.02 1.86 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 1.26 0.66 0.85 0.00 0.00 115 S 9.36 5.17 0.00 3.65 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 0.00 116 I 8.98 5.02 1.64 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.66 0.57 0.00 0.00 117 A 8.81 5.29 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 0.00 118 Y 8.89 5.30 0.00 3.32 3.10 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 0.00 0.00 0.00 0.00 119 D 9.45 5.47 0.00 2.81 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 0.00 120 M 8.30 5.34 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.51 0.00 121 H 8.13 4.35 0.00 3.17 3.22 0.00 5.26 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.90 3.56 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 0.79 0.00 0.00 0.89 0.00 0.00 123 G 7.63 3.44 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 0.00 0.00 0.00 *128 H 8.35 4.65 0.00 3.36 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.54 4.70 0.00 1.53 1.54 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 130 H 9.15 5.09 0.00 1.61 2.50 0.00 5.75 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 0.00 131 N 9.19 5.20 0.00 2.65 2.61 0.00 0.00 6.50 7.26 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 0.00 132 M 9.16 5.10 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 133 T 9.08 5.01 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 134 I 8.88 4.79 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.94 0.00 0.00 135 T 8.89 5.25 4.16 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 1.16 0.00 0.00 136 Y 8.10 5.34 0.00 3.18 3.03 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 0.00 0.00 0.00 137 E 9.21 4.95 0.00 1.98 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 2.17 2.18 0.00 138 G 8.88 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 0.00 0.00 0.00 139 G 9.02 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 0.00 140 T 8.46 3.85 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 * Residues marked with a * may have inaccurate shift predictions.