NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4199 8.0393 120.6690 63.0661 32.9524 174.2115 2 R 4.6442 8.8191 121.6036 54.3796 33.1855 172.2494 3 I 5.1262 7.7846 120.7779 59.9104 40.5174 176.1897 4 R 4.5949 8.2862 119.0409 55.6020 32.8491 174.1213 5 R 4.1567 8.8001 118.9087 56.4397 30.8590 175.8767 6 A 4.6939 8.2900 121.6580 50.4005 22.4369 176.0375 7 G 4.1863 8.1624 108.8077 43.3756 0.0000 173.6039 8 L 3.9057 8.3787 118.9816 58.0255 41.6662 178.5951 9 E 4.0475 8.1938 117.5863 58.3140 29.7430 177.1815 10 D 4.6541 8.0314 117.9039 55.8526 41.9732 178.1080 11 L 3.7817 7.4767 119.3291 57.6830 41.0305 177.9203 12 P 4.3543 0.0000 0.0000 65.2177 31.4211 178.9192 13 G 3.5151 8.3184 105.0731 47.8637 0.0000 175.7469 14 V 3.2788 7.6635 120.6637 65.3929 31.2273 177.5910 15 A 3.9000 7.9344 120.5313 55.1255 18.0052 179.6988 16 R 3.6971 7.7353 113.5806 59.4891 29.6977 178.8221 17 V 3.7939 7.6256 119.7355 65.3537 31.4307 177.6500 18 L 3.5916 8.0508 119.5743 58.2209 41.9363 179.1218 19 V 3.6353 7.6867 117.8316 65.7149 31.5540 177.5087 20 D 4.3765 8.8465 119.6969 57.8316 40.7317 179.1285 21 T 3.8881 7.9606 115.7021 66.4339 68.5965 176.3434 22 W 4.4638 8.3610 130.3523 60.9435 30.7176 178.2178 23 R 4.1298 8.6078 117.4561 59.4835 29.4423 178.9203 24 A 4.0862 7.7419 118.3161 54.9308 18.2685 179.2150 25 T 3.9482 7.4869 113.2060 65.6052 69.3147 176.2123 26 Y 4.8972 7.4085 116.5226 56.6450 38.2432 175.3080 27 R 4.3990 7.3162 120.9035 59.9400 29.5712 175.1304 28 G 3.9829 8.7937 116.5842 45.9047 0.0000 174.1057 29 V 3.9794 7.8872 118.5221 64.2071 32.2999 175.8862 30 V 4.3231 8.1223 118.5488 60.0168 32.5127 173.3615 31 P 4.3056 0.0000 0.0000 63.1741 31.7387 176.6837 32 E 3.9578 9.1576 124.3046 60.0200 29.5417 177.9255 33 A 3.9265 8.3841 119.3006 55.5767 17.9789 178.7178 34 F 3.8712 8.1202 117.9205 61.2096 39.6917 177.3808 35 L 4.2376 8.1850 117.6935 58.5521 42.3534 178.4967 36 E 4.3342 8.9673 117.8006 58.0681 29.1753 179.0683 37 G 3.9391 8.1109 105.3528 43.9889 0.0000 172.8904 38 L 4.7319 7.4279 119.9755 52.6037 45.6909 176.5340 39 S 4.5970 8.3074 111.7153 56.8631 65.6543 175.1093 40 Y 4.1340 9.4803 123.9361 61.5019 37.6750 178.9712 41 E 4.1559 8.4282 118.8285 59.1618 29.4229 179.3395 42 G 3.7460 8.1397 105.0685 47.0030 0.0000 175.1450 43 Q 4.2450 7.9756 120.8751 58.3459 29.6776 177.2889 44 A 4.1406 8.1982 121.9472 54.8940 18.2105 179.5682 45 E 3.8433 8.6426 117.7592 59.5478 29.6335 179.1622 46 R 3.7848 7.5035 117.3288 59.5867 29.9714 178.6341 47 W 3.9702 8.3168 117.9138 59.1213 28.8268 178.3532 48 A 3.9791 7.8570 121.0690 55.3972 17.8715 179.3164 49 Q 3.8419 7.6637 116.2792 59.6200 28.5532 179.4857 50 R 2.8690 6.8742 116.8591 59.2828 29.9902 178.8110 51 L 4.1717 7.4012 118.8250 57.4747 41.7078 179.7631 52 K 4.3107 7.3715 117.8976 58.4967 32.1531 177.5246 53 T 4.0524 7.4974 116.9714 62.7029 68.1486 172.5697 54 P 4.4592 0.0000 0.0000 65.7413 31.7910 177.5575 55 T 4.3355 7.7413 107.8781 61.6424 68.5504 174.6481 56 W 4.9210 7.9350 131.6382 55.9127 32.6384 174.0499 57 P 4.2843 0.0000 0.0000 65.0535 31.1098 177.3307 58 G 2.0914 5.3800 105.3122 45.5855 0.0000 173.6614 59 R 4.6113 7.9979 120.9212 54.0512 33.7185 174.0148 60 L 5.3280 8.6076 126.3916 53.5379 44.5008 175.4120 61 F 5.5395 9.5686 124.9688 56.2028 42.8268 174.3627 62 V 4.7206 8.5985 115.8786 61.1296 35.0408 172.7779 63 A 4.8257 9.6136 126.8621 50.7936 20.3521 175.5001 64 E 4.8831 9.1697 124.8676 55.0620 31.4655 176.3638 65 S 4.4846 9.0157 123.1148 57.8162 63.7784 174.8365 66 E 4.0505 8.6120 121.0289 58.8811 29.4948 177.8764 67 S 4.1788 8.0072 112.3557 59.7709 63.2975 174.9761 68 G 3.9678 7.8483 108.5129 45.0299 0.0000 172.9351 69 E 4.1179 8.5029 121.3286 55.0013 30.4167 176.0984 70 V 4.0033 8.0226 125.1924 62.3049 30.5789 175.8175 71 V 3.8428 8.0558 120.1055 60.4364 31.9650 176.1929 72 G 4.5473 7.2977 107.8605 46.3912 0.0000 172.0533 73 F 5.4257 8.6003 114.8852 55.7763 41.9192 172.8538 74 A 4.9122 8.9814 120.1353 50.2853 23.0923 175.0245 75 A 5.2358 9.2248 121.7260 50.5645 22.4332 175.7125 76 F 5.1031 9.8452 121.8421 54.8600 43.1030 174.7303 77 G 4.0763 8.6992 105.1905 42.3575 0.0000 170.6754 78 P 4.6970 0.0000 0.0000 62.6471 31.7277 176.1327 79 D 4.5563 9.2421 122.1560 54.7900 41.8323 177.8407 80 R 4.0903 8.9615 128.5837 56.8242 28.9387 176.8008 81 A 3.8568 7.7261 123.3407 53.4085 16.2327 177.4900 82 S 4.5582 8.9746 116.4875 58.7884 64.0653 175.7245 83 G 3.7195 8.6744 107.5410 46.3147 0.0000 173.3789 84 F 4.8289 8.2564 117.6541 54.3841 41.6898 173.1841 85 P 4.4993 0.0000 0.0000 64.0240 31.7602 175.2038 86 G 3.9326 9.2447 109.9988 45.4951 0.0000 173.0057 87 Y 4.6796 7.5851 117.4773 56.9231 38.2737 175.2156 88 T 4.8518 8.7615 114.0085 61.1482 71.0898 173.3629 89 A 4.9780 7.9928 123.5494 50.2920 21.5174 175.2683 90 E 4.9468 9.4131 119.5127 54.6888 34.0674 174.2820 91 L 4.3721 8.3944 127.1990 53.3326 41.9404 176.0667 92 W 4.5899 9.4143 127.9650 59.5507 29.7044 176.9199 93 A 4.4680 7.7707 117.1482 51.4579 21.9293 175.4848 94 I 4.5013 7.6390 120.5129 60.0156 40.7879 173.6262 95 Y 4.7687 9.0725 126.7681 56.2108 42.3532 174.6550 96 V 4.8537 8.1960 120.5834 60.9166 34.7132 174.8838 97 L 4.1524 9.3249 128.3382 55.0077 42.1890 176.1896 98 P 4.1808 0.0000 0.0000 66.1549 31.6313 178.2952 99 T 3.7445 8.0690 113.5063 66.0697 68.4092 174.9644 100 W 4.5733 9.2871 119.2592 56.3827 29.2747 176.0832 101 Q 4.3153 8.0170 118.7523 56.0466 29.0248 175.3748 102 R 3.9456 8.5352 114.4460 57.7685 26.3668 177.1746 103 K 4.5384 7.7668 113.7956 55.5287 33.1587 176.8295 104 G 3.9235 8.1151 106.0084 46.8696 0.0000 176.5222 105 L 4.2137 7.5238 119.4267 57.0061 41.6388 178.7196 106 G 3.5752 8.1298 105.5588 48.0404 0.0000 175.4323 107 R 4.1565 8.3395 118.4045 58.8639 29.1005 178.5655 108 A 3.9442 7.7938 120.7986 54.8991 18.2515 179.6073 109 L 3.9206 8.4015 118.0047 57.9737 41.7664 179.2302 110 F 4.1877 8.8865 121.1252 61.5729 39.3158 176.4161 111 H 4.1260 9.4080 118.5758 59.3880 29.3915 176.8229 112 E 3.9477 7.8470 119.9433 58.5379 29.5967 178.6650 113 G 2.0000 6.7920 104.4763 45.5393 0.0000 175.7632 114 A 3.6858 7.0787 123.2651 55.2190 18.1830 179.8969 115 R 3.8818 7.4222 116.1694 58.7236 29.9671 179.0774 116 L 4.0619 7.2739 120.1167 57.7112 42.3703 178.5891 117 L 4.0752 7.7045 119.1204 57.9094 41.3558 179.4955 118 Q 4.1159 8.5451 116.4257 59.1699 28.5171 178.5767 119 A 4.1835 7.6339 121.4792 55.0973 18.4243 179.1996 120 E 4.1688 8.4738 114.2254 57.5393 29.6491 177.9844 121 G 3.7908 8.2820 107.2404 45.9507 0.0000 173.3864 122 Y 4.3510 7.9004 116.5415 56.9911 39.1058 176.2097 123 G 3.8369 8.3906 110.7484 48.0356 0.0000 173.4034 124 R 5.1304 7.6680 114.1678 56.1635 32.6718 173.4736 *126 L 4.8358 8.4807 118.0055 56.5535 42.4599 176.0257 127 V 4.7156 7.5077 117.7808 60.0691 34.7215 173.6414 128 W 5.1738 8.9030 124.2289 55.5512 30.5508 175.6904 129 V 4.7798 9.3026 123.3363 61.0492 35.4846 174.0126 130 L 4.8145 8.6002 124.3514 53.9566 42.3348 178.0844 131 K 3.9625 8.9376 124.0638 59.4844 32.2527 177.1656 132 E 4.6936 8.1108 116.5419 56.6294 30.7678 175.9249 133 N 4.9685 8.0764 114.2121 51.1161 38.8988 172.5203 134 P 4.2206 0.0000 0.0000 65.9408 31.9412 178.2847 135 K 3.9816 8.1308 116.4962 59.4590 31.8739 179.1384 136 G 3.5274 8.5857 106.4456 48.0050 0.0000 176.0130 137 R 3.9951 8.2596 121.1588 58.1985 30.0650 179.6176 138 G 3.5448 8.2902 106.0213 47.6244 0.0000 175.5078 139 F 4.0602 7.9565 122.3547 61.2799 39.5696 176.5569 140 Y 4.0136 7.4424 116.2134 60.6150 37.1237 177.7579 141 E 3.9393 8.2913 119.9698 59.8891 29.5202 179.0425 142 H 4.2441 8.1357 114.1793 57.7361 28.9216 176.4086 143 L 4.4420 7.6784 119.6946 53.1762 42.4613 175.9707 144 G 3.7571 9.2508 107.5494 46.5119 0.0000 174.2727 145 G 2.9986 7.8813 107.0995 43.8558 0.0000 174.0588 146 V 4.2822 7.7021 115.8167 58.7569 34.4121 175.1822 147 L 3.6375 8.1065 126.3646 55.2983 41.7950 176.2932 148 L 4.4689 9.1676 125.4776 53.3411 44.2934 176.9520 149 G 4.3218 6.8923 108.0972 44.9812 0.0000 170.2569 150 E 5.6026 8.2398 117.4087 54.8211 32.6828 175.3765 151 R 4.8347 9.8647 120.7735 54.8429 33.9459 173.3035 152 E 3.5721 8.4342 127.3249 55.0351 30.6002 175.5846 153 I 4.2534 8.3114 120.4238 58.9897 40.8471 173.8558 154 E 4.2959 8.7512 129.0788 56.1142 30.1199 175.5608 155 L 4.3615 8.6148 129.8513 54.1252 44.2553 176.3460 156 G 4.3849 9.9261 113.7520 46.5000 0.0000 172.8503 157 G 4.0331 8.5132 108.2399 45.2358 0.0000 175.0172 158 A 4.2163 8.0296 121.8655 51.9674 19.0255 176.0426 159 K 4.4917 8.1217 121.2438 54.7012 31.9094 175.3342 160 L 4.6884 8.1647 126.0953 52.9310 44.7755 174.9518 161 W 5.5172 8.6204 117.5952 55.3843 33.3703 174.6703 162 E 5.4781 9.9323 122.2014 54.9831 33.2811 175.3181 163 V 5.2067 9.5695 114.6884 59.6957 35.9161 174.4525 164 A 4.5676 8.3054 124.7991 50.1348 21.5358 175.1991 165 Y 4.6652 8.3932 118.4445 55.9750 41.3959 175.2057 166 G 4.1446 8.5975 110.1581 44.7020 0.0000 172.6760 167 F 5.0660 8.7196 119.6795 55.6992 43.4006 173.4990 168 D 4.7107 9.1483 124.5484 53.6832 40.6636 176.1515 169 L 4.8246 8.2150 131.1604 54.5759 40.7800 175.8351 170 G 4.2134 7.8092 105.6908 46.3469 0.0000 173.9115 171 G 4.0746 7.9267 105.8983 45.2834 0.0000 174.1079 172 H 4.7057 8.1933 116.5840 54.0681 27.4247 175.3513 173 K 4.6238 7.6356 118.0880 54.5563 33.8519 177.1395 174 W 4.2836 8.9884 123.0969 56.7535 29.4105 175.7915 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 V 8.04 4.42 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 0.97 0.00 0.00 1.07 0.00 0.00 2 R 8.82 4.64 0.00 1.87 1.95 0.00 2.83 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 3 I 7.78 5.13 1.90 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 1.41 0.56 0.98 0.00 0.00 4 R 8.29 4.59 0.00 1.83 2.02 0.00 2.78 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 5 R 8.80 4.16 0.00 1.60 1.70 0.00 2.21 0.00 0.00 2.69 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 6 A 8.29 4.69 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 7 G 8.16 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 8 L 8.38 3.91 0.00 1.75 1.66 0.90 0.75 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 9 E 8.19 4.05 0.00 1.98 1.94 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 2.27 2.39 0.00 10 D 8.03 4.65 0.00 2.90 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 11 L 7.48 3.78 0.00 1.73 1.72 1.05 1.28 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 12 P 0.00 4.35 0.00 2.13 2.08 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 13 G 8.32 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.28 1.66 0.00 0.00 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 0.54 0.00 0.00 15 A 7.93 3.90 1.49 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 16 R 7.74 3.70 0.00 2.58 2.54 0.00 2.90 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 17 V 7.63 3.79 2.36 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 1.15 0.00 0.00 1.06 0.00 0.00 18 L 8.05 3.59 0.00 2.04 1.90 0.76 1.10 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 19 V 7.69 3.64 1.50 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 0.85 0.00 0.00 0.72 0.00 0.00 20 D 8.85 4.38 0.00 2.73 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 21 T 7.96 3.89 4.54 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 1.48 0.00 0.00 22 W 8.36 4.46 0.00 3.72 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 23 R 8.61 4.13 0.00 2.23 2.07 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 24 A 7.74 4.09 1.38 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 0.00 0.00 25 T 7.49 3.95 3.71 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 0.00 0.00 0.00 -0.51 0.00 0.00 26 Y 7.41 4.90 0.00 3.21 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 27 R 7.32 4.40 0.00 2.16 1.94 0.00 3.30 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 28 G 8.79 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 29 V 7.89 3.98 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 0.94 0.00 0.00 1.05 0.00 0.00 30 V 8.12 4.32 2.49 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 0.99 0.00 0.00 0.99 0.00 0.00 31 P 0.00 4.31 0.00 2.29 2.05 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 32 E 9.16 3.96 0.00 2.15 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 0.00 2.45 2.55 0.00 33 A 8.38 3.93 1.37 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 0.00 0.00 0.00 34 F 8.12 3.87 0.00 3.06 3.27 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 35 L 8.19 4.24 0.00 1.90 2.21 1.54 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.97 4.33 0.00 2.02 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 0.00 2.34 2.78 0.00 37 G 8.11 3.94 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 0.00 0.00 0.00 38 L 7.43 4.73 0.00 1.43 1.33 0.53 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.31 4.60 0.00 4.02 3.94 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 40 Y 9.48 4.13 0.00 2.99 3.11 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 41 E 8.43 4.16 0.00 2.00 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 2.41 2.31 0.00 42 G 8.14 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 43 Q 7.98 4.25 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.81 0.00 44 A 8.20 4.14 1.47 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 45 E 8.64 3.84 0.00 2.14 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 2.32 2.53 0.00 46 R 7.50 3.78 0.00 1.81 2.01 0.00 2.82 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.45 0.00 47 W 8.32 3.97 0.00 3.36 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 48 A 7.86 3.98 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 49 Q 7.66 3.84 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 50 R 6.87 2.87 0.00 1.47 0.66 0.00 2.39 0.00 0.00 2.52 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.26 0.00 51 L 7.40 4.17 0.00 1.54 1.76 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.37 4.31 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.57 7.81 53 T 7.50 4.05 4.21 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 1.29 0.00 0.00 54 P 0.00 4.46 0.00 2.08 2.16 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 55 T 7.74 4.34 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 1.26 0.00 0.00 56 W 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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 2.19 0.00 65 S 9.02 4.48 0.00 3.81 3.22 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 0.00 66 E 8.61 4.05 0.00 2.01 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 2.32 2.32 0.00 67 S 8.01 4.18 0.00 4.07 4.08 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 68 G 7.85 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 69 E 8.50 4.12 0.00 1.96 1.73 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 2.10 2.20 0.00 70 V 8.02 4.00 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 0.82 0.00 0.00 0.87 0.00 0.00 71 V 8.06 3.84 1.15 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 0.44 0.00 0.00 72 G 7.30 4.55 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 73 F 8.60 5.43 0.00 3.36 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 0.00 74 A 8.98 4.91 1.26 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 0.00 0.00 75 A 9.22 5.24 1.62 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 76 F 9.85 5.10 0.00 2.88 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 G 8.70 4.08 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 0.00 0.00 0.00 78 P 0.00 4.70 0.00 2.28 2.24 0.00 3.79 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 79 D 9.24 4.56 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 80 R 8.96 4.09 0.00 1.73 1.70 0.00 2.66 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.42 0.00 81 A 7.73 3.86 1.30 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 82 S 8.97 4.56 0.00 4.47 4.89 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 83 G 8.67 3.72 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 0.00 0.00 0.00 84 F 8.26 4.83 0.00 3.23 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 85 P 0.00 4.50 0.00 2.12 2.05 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 86 G 9.24 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 87 Y 7.59 4.68 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.76 4.85 4.53 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 1.33 0.00 0.00 89 A 7.99 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.41 4.95 0.00 2.13 2.21 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 2.69 2.57 0.00 91 L 8.39 4.37 0.00 1.54 1.49 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 92 W 9.41 4.59 0.00 3.46 3.46 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 93 A 7.77 4.47 1.61 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 0.00 0.00 94 I 7.64 4.50 1.70 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.80 0.00 0.00 95 Y 9.07 4.77 0.00 2.85 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 96 V 8.20 4.85 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 0.94 0.00 0.00 0.87 0.00 0.00 97 L 9.32 4.15 0.00 1.86 1.80 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.39 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 0.00 0.00 0.00 124 R 7.67 5.13 0.00 2.05 2.02 0.00 2.45 0.00 0.00 3.14 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.00 *126 L 8.48 4.84 0.00 1.20 1.40 0.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.51 4.72 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 0.29 0.00 0.00 0.80 0.00 0.00 128 W 8.90 5.17 0.00 3.23 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 0.00 129 V 9.30 4.78 2.34 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 1.17 0.00 0.00 1.20 0.00 0.00 130 L 8.60 4.81 0.00 1.82 1.70 0.63 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.94 3.96 0.00 2.00 2.02 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.73 7.81 132 E 8.11 4.69 0.00 2.05 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 2.29 2.35 0.00 133 N 8.08 4.97 0.00 2.85 2.86 0.00 0.00 7.22 7.22 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 0.00 134 P 0.00 4.22 0.00 2.16 2.12 0.00 3.62 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 2.12 2.23 0.00 135 K 8.13 3.98 0.00 1.67 1.75 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 136 G 8.59 3.53 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 0.00 137 R 8.26 4.00 0.00 1.96 2.13 0.00 3.41 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 138 G 8.29 3.54 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 0.00 0.00 0.00 139 F 7.96 4.06 0.00 2.78 2.90 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 0.00 140 Y 7.44 4.01 0.00 2.42 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 0.00 141 E 8.29 3.94 0.00 2.20 1.94 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 2.41 2.54 0.00 142 H 8.14 4.24 0.00 3.20 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.68 4.44 0.00 1.73 1.52 -0.63 0.24 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 0.00 144 G 9.25 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 0.00 145 G 7.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.70 4.28 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 0.57 0.00 0.00 0.83 0.00 0.00 147 L 8.11 3.64 0.00 1.24 1.33 0.38 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 148 L 9.17 4.47 0.00 0.71 1.16 -0.41 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 149 G 6.89 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.24 5.60 0.00 2.34 2.06 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 2.25 2.46 0.00 151 R 9.86 4.83 0.00 1.94 1.61 0.00 2.65 0.00 0.00 2.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.42 0.00 152 E 8.43 3.57 0.00 1.16 1.12 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 1.67 1.47 0.00 153 I 8.31 4.25 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.63 0.66 0.00 0.00 154 E 8.75 4.30 0.00 1.88 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 2.27 2.29 0.00 155 L 8.61 4.36 0.00 1.46 1.17 0.61 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 156 G 9.93 4.38 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 0.00 0.00 0.00 157 G 8.51 4.03 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 0.00 0.00 0.00 158 A 8.03 4.22 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 0.00 159 K 8.12 4.49 0.00 1.68 1.68 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.40 7.81 160 L 8.16 4.69 0.00 1.54 1.65 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 161 W 8.62 5.52 0.00 3.29 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 0.00 162 E 9.93 5.48 0.00 2.03 2.30 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 2.46 2.31 0.00 163 V 9.57 5.21 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 0.80 0.00 0.00 1.24 0.00 0.00 164 A 8.31 4.57 -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 0.00 165 Y 8.39 4.67 0.00 2.69 2.49 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 0.00 166 G 8.60 4.14 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 0.00 0.00 0.00 167 F 8.72 5.07 0.00 3.11 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 0.00 168 D 9.15 4.71 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.21 4.82 0.00 1.73 1.77 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.81 4.21 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 0.00 171 G 7.93 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 0.00 172 H 8.19 4.71 0.00 3.28 3.48 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.64 4.62 0.00 1.70 1.77 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.36 7.81 174 W 8.99 4.28 0.00 3.19 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 * Residues marked with a * may have inaccurate shift predictions.