NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3931 8.1744 117.3890 63.8007 69.8961 172.7085 3 T 4.5537 8.1440 119.1491 60.3308 70.4751 171.8508 4 R 4.3103 8.6350 124.2120 57.1856 31.9208 176.3609 5 L 4.1657 7.3660 117.6369 54.1388 45.0850 174.1303 6 E 4.2442 8.8659 127.1054 55.5767 28.3198 176.6594 7 W 4.5289 8.6386 121.2366 57.5070 29.0598 177.3196 8 A 4.6469 7.7011 120.1182 50.0840 19.7021 175.9284 9 K 3.8650 7.6512 114.8532 57.3885 30.9026 178.4859 10 A 3.3942 7.9653 114.9889 51.9600 19.2565 177.4718 11 S 4.5044 8.1138 113.8922 55.5003 64.4569 174.4431 12 P 5.2191 0.0000 0.0000 65.1718 31.1186 178.0568 13 D 4.4224 8.1836 118.3297 56.9883 40.5061 178.3884 14 A 4.0526 7.5299 120.3596 55.3338 18.5933 178.5543 15 Y 4.1846 8.2179 115.9808 60.9055 38.8870 177.6866 16 A 4.2827 7.9287 119.8314 55.1357 18.7477 180.2175 17 A 4.1086 7.8282 116.9385 52.8269 18.2725 179.2934 *19 L 4.4008 8.0603 122.9302 56.2390 44.1338 179.7561 20 G 3.2791 7.9819 105.6534 47.4459 0.0000 175.8713 21 L 4.0681 7.9028 120.8004 57.7224 41.8511 179.1979 22 E 4.0916 8.3316 117.8955 59.6368 29.3643 179.4151 23 K 3.9809 8.8245 117.8316 59.2988 32.1741 179.0006 24 A 4.1979 7.8760 120.9697 54.8273 18.5475 179.2897 25 L 4.1465 7.8926 116.8428 57.5337 40.6505 178.7246 26 A 3.9566 7.6892 122.5780 55.1108 18.2958 178.3521 27 K 4.2894 7.5673 111.8848 56.4249 32.9249 176.9734 28 A 4.5046 7.1727 122.8102 51.0154 19.0795 178.4343 29 G 3.9290 8.8219 107.6093 45.8231 0.0000 173.3729 30 L 4.3972 7.2836 121.4356 53.4719 43.0494 176.8223 31 E 3.9725 8.9007 124.9561 57.1257 30.9236 178.2568 32 R 3.8741 8.6469 122.7165 59.0731 30.2256 177.0657 33 P 4.2368 0.0000 0.0000 65.3004 31.3149 178.2422 34 L 3.9783 7.9005 118.6536 58.2397 42.0671 178.6607 35 I 3.7498 7.6919 119.7023 64.8123 37.0614 178.3123 36 E 4.0291 8.4856 119.3330 59.1977 29.1013 179.5529 37 L 4.0363 7.8682 118.8735 57.5908 41.7084 179.3246 38 V 3.5780 8.0435 118.4639 66.3667 31.4152 177.6583 39 Y 3.8261 8.6078 116.5359 60.9151 37.7089 178.3152 40 L 3.9635 8.3990 121.5081 58.2351 42.1906 178.7378 41 R 4.2029 8.1302 120.1455 59.3376 29.9153 178.5320 42 T 3.8440 7.8839 115.2691 66.8205 68.3957 176.8963 43 S 4.3279 8.1691 117.0837 61.3236 62.3889 176.7806 44 Q 3.9936 8.2090 121.0206 59.1299 28.3216 178.7446 45 I 3.7538 7.7430 119.4504 64.4141 37.3034 177.6188 46 N 4.6447 8.4906 114.5403 52.6160 38.9380 175.1006 47 G 3.7967 7.7598 108.2987 47.0241 0.0000 175.0506 48 C 4.5085 7.9265 120.8653 57.4645 31.9271 172.3211 49 A 4.0441 8.4205 130.9331 54.8911 17.9011 178.3569 50 Y 3.9666 8.0124 117.1668 61.2287 39.1259 177.5143 51 C 4.4152 8.2940 115.9683 62.5643 28.5780 175.7677 52 V 3.8281 8.2030 120.3254 66.0184 31.1370 177.7279 53 N 4.2415 7.8598 113.3735 55.5445 38.8240 175.5725 *55 H 4.6327 8.1705 117.0899 55.5754 31.1669 175.4611 56 A 3.9959 8.2742 121.4630 55.3139 18.1129 179.2799 57 N 4.2377 8.0356 114.8656 56.6931 38.6156 177.4593 58 D 4.2928 7.9854 119.4375 57.2688 40.7567 178.5779 59 A 3.9970 8.0465 120.5672 54.9319 18.6730 179.3454 60 R 4.5965 8.2652 118.9910 59.0454 29.9761 178.5339 61 K 3.8554 8.1553 118.2654 59.5335 32.2825 178.0354 62 A 4.1653 7.9853 118.5732 51.8738 19.6075 176.9648 63 G 3.6456 7.5808 105.9105 50.9483 0.0000 175.9834 64 E 3.4694 7.1503 117.6890 56.3073 28.5463 174.0440 65 T 3.2648 8.4776 123.7167 63.7129 65.5407 172.8594 66 E 4.0421 8.2541 125.5611 59.0220 29.2759 178.4904 67 Q 3.7854 7.8336 119.2363 59.2403 29.0828 178.4966 68 R 3.8402 7.6018 118.5021 59.0334 30.0070 178.7717 69 L 4.1308 8.3528 118.6409 57.7376 41.6842 179.1619 70 Q 4.1932 8.5174 116.8614 58.5136 29.1303 177.4813 71 A 4.4744 7.9381 121.4884 53.3078 19.1739 178.7314 72 L 4.0127 8.0031 119.6868 58.8033 41.8883 178.9176 73 C 4.5682 8.2857 111.5892 60.3467 29.3748 173.9677 74 V 4.5216 8.3626 116.1446 60.3620 32.7490 177.6333 75 W 4.4737 8.3115 119.8822 59.7928 28.0609 178.0250 76 Q 3.0053 6.8594 116.7500 58.0458 28.2014 177.6694 77 E 4.6478 7.3082 116.2120 55.8401 29.8004 175.7912 78 T 4.4937 7.5287 107.2531 59.5442 72.1205 171.7643 79 P 4.6711 0.0000 0.0000 63.0336 31.5430 176.2454 80 Y 4.3786 7.4436 117.1986 59.7692 38.2045 175.4166 81 F 5.1302 7.9490 117.7542 55.3514 41.9421 175.9038 82 T 4.2481 8.5282 114.3951 60.9261 70.6904 173.9945 83 P 4.3106 0.0000 0.0000 65.9060 31.3405 178.9515 84 R 3.5654 7.7906 116.9261 59.3318 30.1046 178.3136 85 E 4.0206 8.1384 118.4730 59.4997 29.4882 179.5728 86 R 3.5491 8.5151 118.3424 58.8479 29.9484 179.0326 87 A 4.0496 8.2999 120.8388 55.1635 18.4559 179.6029 88 A 3.9473 8.1433 119.1704 54.9363 18.3181 179.7321 89 L 3.6967 7.4630 117.2156 57.0710 41.5147 179.2595 90 A 4.3336 7.7403 120.9401 54.9977 18.3193 179.2791 91 W 4.2972 8.0642 126.8440 61.0470 30.7015 178.1842 92 T 3.7776 8.0091 115.4023 66.8290 67.4841 176.4728 93 E 4.0058 8.4669 120.5648 59.5651 29.2667 179.5757 94 Q 3.9688 8.0386 117.1574 58.9442 28.8752 178.4503 95 L 3.8997 7.7462 118.7394 57.0559 41.6677 178.9068 96 A 4.2439 7.9246 120.5338 54.2482 18.7392 178.7988 97 R 4.5413 7.4633 115.6081 55.9039 31.8176 178.6662 98 L 3.9181 7.8809 123.2310 58.0052 42.3809 178.3207 99 S 4.3729 7.9819 110.9700 59.7863 62.9861 174.3210 100 Q 4.3868 9.2971 119.1888 55.5610 29.5642 176.3019 101 G 3.7549 6.7835 103.0655 44.3189 0.0000 172.6696 102 A 4.0288 7.9910 122.9967 52.0396 18.9192 177.0860 103 L 4.3232 8.1980 122.8933 52.9936 42.7138 174.9714 104 P 4.4046 0.0000 0.0000 63.0408 31.9985 176.3698 105 H 4.3825 9.2059 117.9046 58.5361 28.3824 177.3043 106 G 3.7610 7.9406 107.5051 46.9183 0.0000 174.4490 107 L 4.2587 8.1603 122.1525 57.5140 42.6047 178.1850 108 L 3.6586 7.9479 119.7566 57.7173 41.8538 178.1377 109 D 4.3618 8.1121 117.8777 57.6214 40.8008 178.0077 110 E 4.1662 7.8700 118.3340 59.5414 29.5998 179.3777 111 L 4.4480 7.8588 118.3622 58.0203 40.5752 179.1157 112 R 4.1793 7.7878 118.3315 58.5225 29.9770 177.5081 113 E 4.3473 7.4639 115.5060 56.9193 29.5422 176.6015 114 H 4.7072 7.9383 113.8998 55.0754 32.0727 173.2658 115 F 5.0774 8.2339 116.4922 55.3823 42.5146 174.1272 116 D 4.8391 8.5343 121.9552 51.9809 40.7752 177.2996 117 D 4.3209 8.7207 120.1998 57.3540 41.0322 178.5279 118 K 4.1359 8.1024 120.5704 59.2013 32.7404 178.8409 119 E 4.3146 8.7664 118.3650 58.8130 29.7900 177.2544 120 I 3.9096 7.5072 119.4386 58.4498 35.0436 175.1792 121 A 5.3563 7.5205 135.0000 52.8211 19.3596 179.2897 122 E 4.0608 7.4745 115.8628 59.1984 29.3847 179.2251 123 L 4.0684 8.4016 120.9086 58.5981 42.1268 179.2865 124 T 4.0675 8.0256 115.1799 66.2976 68.4159 176.4302 125 L 3.9501 8.0095 122.3999 58.0633 42.0288 178.5118 126 A 4.2193 8.3821 120.9264 55.2929 18.2676 179.3443 127 V 3.4582 8.1771 116.3612 66.5924 31.5670 178.6677 128 S 4.0160 8.2101 114.2403 61.3245 62.6407 176.5570 129 A 3.8956 8.6256 123.8062 55.2546 18.2409 179.5807 130 I 3.5137 7.6654 117.3745 64.1814 38.0614 177.6069 131 N 4.3126 8.3027 117.3960 56.3094 38.2450 177.2760 132 A 3.8822 7.8457 121.9642 54.8536 18.5165 179.5294 133 W 4.5256 8.3761 117.9360 60.3209 29.1669 178.3087 134 N 4.3994 8.8540 116.6097 56.6362 37.9733 177.6884 135 R 3.8764 7.5832 118.2959 58.9260 30.2333 178.9373 136 F 3.8503 7.6637 117.3706 60.4271 38.6578 177.5464 137 G 3.8545 8.6683 104.0675 48.3483 0.0000 175.4855 138 V 3.7095 8.5640 120.8128 64.4533 31.6305 179.3803 139 G 3.9025 7.3092 101.1508 46.7274 0.0000 174.1614 *141 G 3.5522 7.6704 110.7102 44.6918 0.0000 172.1288 *143 Q 4.2397 8.4285 123.5610 54.7456 29.9628 173.5628 144 P 4.5563 0.0000 0.0000 62.3109 32.1864 176.0047 145 E 4.1337 8.6025 118.6895 56.6521 29.5319 176.5116 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 2 T 8.17 4.39 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 3 T 8.14 4.55 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 1.23 0.00 0.00 4 R 8.64 4.31 0.00 1.87 1.99 0.00 3.32 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 5 L 7.37 4.17 0.00 1.56 1.57 1.05 1.02 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 6 E 8.87 4.24 0.00 1.96 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 2.30 2.29 0.00 7 W 8.64 4.53 0.00 3.66 3.38 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 8 A 7.70 4.65 -0.02 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 0.00 0.00 9 K 7.65 3.86 0.00 1.94 2.31 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 1.22 7.81 10 A 7.97 3.39 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 11 S 8.11 4.50 0.00 3.93 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 12 P 0.00 5.22 0.00 2.31 2.26 0.00 3.93 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 13 D 8.18 4.42 0.00 2.77 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 14 A 7.53 4.05 1.60 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 0.00 0.00 15 Y 8.22 4.18 0.00 2.57 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 16 A 7.93 4.28 1.48 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 0.00 0.00 17 A 7.83 4.11 1.40 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 0.00 0.00 0.00 *19 L 8.06 4.40 0.00 1.88 1.80 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.98 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 0.00 0.00 0.00 21 L 7.90 4.07 0.00 1.80 1.82 0.84 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 22 E 8.33 4.09 0.00 2.32 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 2.96 2.50 0.00 23 K 8.82 3.98 0.00 1.66 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.81 7.81 24 A 7.88 4.20 1.45 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 0.00 0.00 25 L 7.89 4.15 0.00 1.95 1.99 1.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.69 3.96 1.44 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 27 K 7.57 4.29 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.56 7.81 28 A 7.17 4.50 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 29 G 8.82 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 30 L 7.28 4.40 0.00 1.87 1.62 1.06 0.94 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 31 E 8.90 3.97 0.00 2.13 1.91 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 2.43 2.48 0.00 32 R 8.65 3.87 0.00 1.90 1.91 0.00 3.15 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 33 P 0.00 4.24 0.00 2.22 2.10 0.00 3.59 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 2.12 2.14 0.00 34 L 7.90 3.98 0.00 1.82 1.88 0.98 1.30 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 35 I 7.69 3.75 1.97 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 0.59 0.64 0.00 0.00 36 E 8.49 4.03 0.00 1.97 2.02 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 2.47 2.47 0.00 37 L 7.87 4.04 0.00 1.85 1.68 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.04 3.58 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 1.10 0.00 0.00 0.99 0.00 0.00 39 Y 8.61 3.83 0.00 3.10 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 40 L 8.40 3.96 0.00 1.87 1.79 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.13 4.20 0.00 1.97 1.96 0.00 3.56 0.00 0.00 3.57 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 T 7.88 3.84 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 1.14 0.00 0.00 43 S 8.17 4.33 0.00 4.08 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 44 Q 8.21 3.99 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 45 I 7.74 3.75 2.00 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 1.56 0.67 0.91 0.00 0.00 46 N 8.49 4.64 0.00 2.78 2.86 0.00 0.00 7.04 7.28 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 47 G 7.76 3.80 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 0.00 0.00 0.00 48 C 7.93 4.51 0.00 3.08 2.94 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 49 A 8.42 4.04 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 50 Y 8.01 3.97 0.00 3.06 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 51 C 8.29 4.42 0.00 3.25 3.15 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 0.00 52 V 8.20 3.83 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 1.02 0.00 0.00 1.01 0.00 0.00 53 N 7.86 4.24 0.00 2.91 2.75 0.00 0.00 7.27 7.32 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 *55 H 8.17 4.63 0.00 3.35 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.27 4.00 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 57 N 8.04 4.24 0.00 2.74 2.83 0.00 0.00 7.12 8.23 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 58 D 7.99 4.29 0.00 2.64 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 59 A 8.05 4.00 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 60 R 8.27 4.60 0.00 1.92 2.07 0.00 3.14 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 61 K 8.16 3.86 0.00 1.92 1.91 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 62 A 7.99 4.17 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 63 G 7.58 3.65 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 0.00 64 E 7.15 3.47 0.00 2.18 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 2.41 2.46 0.00 65 T 8.48 3.26 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 1.08 0.00 0.00 66 E 8.25 4.04 0.00 1.93 1.97 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 2.37 2.28 0.00 67 Q 7.83 3.79 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 68 R 7.60 3.84 0.00 1.86 1.92 0.00 3.03 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.23 0.00 69 L 8.35 4.13 0.00 1.75 1.77 0.93 0.97 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 70 Q 8.52 4.19 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 71 A 7.94 4.47 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 0.00 0.00 0.00 0.00 0.00 72 L 8.00 4.01 0.00 2.14 1.84 0.65 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.29 4.57 0.00 3.23 3.26 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 74 V 8.36 4.52 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 0.87 0.00 0.00 1.07 0.00 0.00 75 W 8.31 4.47 0.00 3.09 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 76 Q 6.86 3.01 0.00 1.48 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.57 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 77 E 7.31 4.65 0.00 1.85 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 2.11 2.27 0.00 78 T 7.53 4.49 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 1.38 0.00 0.00 79 P 0.00 4.67 0.00 2.10 2.05 0.00 2.35 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 80 Y 7.44 4.38 0.00 2.38 2.41 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 81 F 7.95 5.13 0.00 3.17 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 82 T 8.53 4.25 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 1.24 0.00 0.00 83 P 0.00 4.31 0.00 2.15 2.17 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 84 R 7.79 3.57 0.00 1.60 1.77 0.00 2.87 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.50 0.00 85 E 8.14 4.02 0.00 2.45 2.05 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 2.41 2.41 0.00 86 R 8.52 3.55 0.00 2.04 2.32 0.00 3.32 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 87 A 8.30 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.95 1.40 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 0.00 0.00 0.00 89 L 7.46 3.70 0.00 0.27 0.13 -0.13 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.74 4.33 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.06 4.30 0.00 3.37 3.23 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 0.00 92 T 8.01 3.78 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 1.17 0.00 0.00 93 E 8.47 4.01 0.00 2.11 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 2.51 3.04 0.00 94 Q 8.04 3.97 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 95 L 7.75 3.90 0.00 1.32 1.44 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.92 4.24 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 97 R 7.46 4.54 0.00 1.83 1.89 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 98 L 7.88 3.92 0.00 1.80 1.58 0.78 0.75 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 99 S 7.98 4.37 0.00 3.98 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 0.00 100 Q 9.30 4.39 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 101 G 6.78 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 0.00 102 A 7.99 4.03 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 0.00 103 L 8.20 4.32 0.00 1.56 1.59 0.97 0.80 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 0.00 104 P 0.00 4.40 0.00 2.12 2.00 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 105 H 9.21 4.38 0.00 3.35 3.58 0.00 5.46 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.94 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 0.00 0.00 0.00 107 L 8.16 4.26 0.00 2.21 2.10 1.13 0.69 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 0.00 108 L 7.95 3.66 0.00 1.88 1.69 0.55 1.28 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 0.00 109 D 8.11 4.36 0.00 2.71 2.74 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 0.00 110 E 7.87 4.17 0.00 2.25 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 0.00 2.39 2.55 0.00 111 L 7.86 4.45 0.00 2.05 2.03 -0.11 0.07 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 0.00 112 R 7.79 4.18 0.00 2.03 2.02 0.00 3.10 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 113 E 7.46 4.35 0.00 2.08 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 2.27 2.30 0.00 114 H 7.94 4.71 0.00 2.80 2.79 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.23 5.08 0.00 2.84 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 0.00 116 D 8.53 4.84 0.00 2.91 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 0.00 117 D 8.72 4.32 0.00 2.66 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 0.00 118 K 8.10 4.14 0.00 1.75 2.03 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.42 7.81 119 E 8.77 4.31 0.00 2.37 2.19 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 2.41 2.50 0.00 120 I 7.51 3.91 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.44 0.00 0.00 121 A 7.52 5.36 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 0.00 122 E 7.47 4.06 0.00 2.15 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 2.35 2.53 0.00 123 L 8.40 4.07 0.00 1.55 1.50 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.03 4.07 4.36 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 1.32 0.00 0.00 125 L 8.01 3.95 0.00 1.91 1.90 0.96 1.17 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 0.00 126 A 8.38 4.22 1.59 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 0.00 127 V 8.18 3.46 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 1.01 0.00 0.00 128 S 8.21 4.02 0.00 4.03 3.85 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 0.00 129 A 8.63 3.90 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 0.00 130 I 7.67 3.51 0.56 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 1.32 0.77 0.67 0.00 0.00 131 N 8.30 4.31 0.00 2.90 2.77 0.00 0.00 6.93 8.40 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 0.00 132 A 7.85 3.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.38 4.53 0.00 3.40 3.36 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 0.00 134 N 8.85 4.40 0.00 2.86 2.90 0.00 0.00 7.07 7.70 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 0.00 135 R 7.58 3.88 0.00 1.81 1.63 0.00 3.11 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 136 F 7.66 3.85 0.00 3.11 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 3.85 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 0.00 0.00 0.00 138 V 8.56 3.71 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 0.84 0.00 0.00 1.07 0.00 0.00 139 G 7.31 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 *141 G 7.67 3.55 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 0.00 *143 Q 8.43 4.24 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 144 P 0.00 4.56 0.00 2.17 2.03 0.00 3.86 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 2.03 1.99 0.00 145 E 8.60 4.13 0.00 1.98 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 2.31 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.