NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.7495 0.0000 0.0000 62.9993 33.1668 174.3884 9 G 3.7255 7.9732 105.8521 45.5103 0.0000 170.8036 10 K 5.0666 8.9038 120.9636 54.4043 34.5599 175.0370 11 A 4.7289 9.0262 126.4813 52.2715 19.4814 176.5494 12 T 4.7925 8.9811 110.3042 60.3152 73.1390 173.2815 13 G 3.8398 9.0642 107.6187 45.2156 0.0000 173.3338 14 K 4.2677 9.2843 116.4205 55.0236 34.0075 178.4771 15 G 4.2345 8.3476 107.2127 45.0351 0.0000 172.6297 16 K 4.6538 8.0711 115.9832 53.6889 36.2598 174.2879 17 P 4.7258 0.0000 0.0000 63.2661 31.7701 176.2144 18 V 4.4961 7.8971 113.6359 59.7354 35.6767 175.0313 19 G 4.1257 8.2232 110.2882 43.8036 0.0000 174.1236 20 D 4.5018 8.8740 118.5305 57.0815 40.8133 178.3555 21 K 4.6504 7.8881 117.1418 56.3722 33.7140 178.5006 22 W 4.2684 8.2875 120.7353 60.8857 27.7673 177.0166 23 L 3.3510 6.9046 118.5057 56.6756 40.7637 178.8000 24 D 4.4000 8.0635 119.6992 57.3843 40.6266 178.3189 25 D 4.3834 8.1555 118.7913 56.9970 40.7648 178.4464 26 A 4.3414 7.7897 121.5002 55.0196 18.0848 179.6010 27 G 3.6573 7.7871 105.3133 47.4523 0.0000 174.1212 28 K 4.4086 7.9581 120.3707 55.2122 33.2768 177.6440 29 D 4.4402 8.5638 119.7579 57.5279 40.8953 178.5850 30 S 4.0830 8.0735 113.0756 59.3306 63.2417 175.0626 31 G 3.8168 7.9416 107.7103 44.3730 0.0000 171.5944 32 A 5.0610 8.4412 119.6908 49.3346 21.8710 175.0613 33 P 4.8429 0.0000 0.0000 61.9944 33.2661 175.9821 34 I 3.8768 8.2313 121.1628 60.6374 38.1613 174.4566 35 P 4.5526 0.0000 0.0000 62.1805 32.0281 177.0215 36 D 4.8313 8.7012 124.3430 56.3366 38.8618 179.4864 37 R 3.8907 7.7522 118.7341 58.8650 30.0439 179.0166 38 I 3.6213 7.3523 119.0055 64.1532 37.2210 177.8278 39 A 4.0172 7.8900 121.6157 55.5348 17.9378 179.2344 40 D 4.3258 8.1783 116.2894 57.7448 40.9757 179.1269 41 K 4.1525 7.5819 117.6612 58.5357 32.4228 178.5142 42 L 4.6194 7.9621 117.6773 53.8737 42.5145 176.6217 43 R 4.2332 7.5190 119.7200 57.9167 30.2895 176.0287 44 D 4.5797 9.3630 123.2247 54.3500 41.0897 173.8080 45 K 4.1801 7.8951 117.9666 56.7774 33.4549 175.4762 46 E 4.5960 8.1851 124.4598 55.0505 31.1224 175.1028 47 F 4.8390 8.8758 124.8148 55.5702 41.9607 176.7354 48 K 4.1708 9.0997 122.3415 58.9685 32.5840 177.4050 49 S 4.9848 7.8101 113.4378 56.7492 66.7829 174.8991 50 F 4.2902 9.0316 123.9638 61.6957 39.0690 176.8313 51 D 4.4452 8.3541 118.1171 57.4713 40.7567 178.3465 52 D 4.4932 8.3199 119.3806 57.1002 40.8232 178.5609 53 F 3.0034 8.1878 121.2971 60.8104 39.3844 177.0812 54 R 3.2872 7.8762 118.7371 59.0867 29.7326 178.2407 55 K 4.3318 8.2571 120.4292 59.0315 32.1144 178.6090 56 A 3.9244 7.6689 120.5191 54.8805 18.1694 179.5884 57 V 3.0497 7.0661 116.7805 66.0328 31.3798 178.4561 58 W 4.4587 7.6339 118.2152 59.5925 28.7302 178.5442 59 E 4.1522 8.5300 119.0237 59.5264 28.6720 179.2260 60 E 3.9627 8.3109 118.0748 59.1609 29.8852 179.1115 61 V 3.8038 8.1601 119.0219 66.1894 31.5246 178.3203 62 S 4.2642 8.5281 113.9385 61.0845 62.5676 175.9224 63 K 4.5268 7.6529 120.0897 56.2787 32.4515 176.5886 64 D 4.6907 7.5703 119.1967 52.0529 41.8877 174.5535 65 P 4.3068 0.0000 0.0000 65.5096 31.1296 178.0895 66 E 4.1493 8.1390 117.4070 58.7999 29.6922 178.2070 67 L 4.2888 8.1434 117.8661 56.4598 42.2203 178.0757 68 S 4.7860 8.0672 112.9461 58.2358 63.4406 176.1438 69 K 4.0308 7.7110 120.8288 59.7639 32.4748 177.3748 70 N 4.6202 8.1099 115.3274 53.7751 39.3016 174.4530 71 L 4.3114 7.6758 118.2952 54.8556 42.5970 177.1983 72 N 4.7657 8.4228 120.9000 51.5465 40.1873 174.3621 73 P 4.2752 0.0000 0.0000 65.7332 31.1507 179.1305 74 S 4.1366 8.0671 113.6629 61.7483 62.8411 176.3502 75 N 4.4791 8.5211 119.1954 56.0326 38.2644 177.5852 76 K 3.9882 8.4687 120.4667 59.6655 32.2427 179.3983 77 S 4.1427 8.0946 115.2741 61.6524 62.8200 177.0081 78 S 4.2668 7.9023 117.4362 61.9476 62.6201 177.3427 79 V 4.2648 8.1895 116.4366 63.6598 31.0201 178.6503 80 S 4.1892 7.9201 114.8931 60.2467 62.6474 175.8080 81 K 4.1762 7.2164 118.6239 55.4187 32.0183 177.1854 82 G 3.9880 8.1299 108.3791 46.1811 0.0000 172.8830 83 Y 4.7864 7.4444 117.0164 56.5855 39.6337 175.2443 84 S 2.7900 8.2683 117.4560 57.0473 63.3114 172.1277 85 P 4.4570 0.0000 0.0000 62.5357 32.7605 175.2051 86 F 4.4180 8.7252 120.0468 57.3718 39.6985 175.7616 87 T 4.0202 8.2230 113.8445 59.8977 70.1551 172.6832 88 P 4.2679 0.0000 0.0000 62.6921 32.1861 177.4139 89 K 3.7931 8.8693 122.7272 59.7435 32.0594 177.9347 90 N 4.6564 8.0961 112.4703 54.0598 37.6050 175.0297 91 Q 4.5030 8.2362 117.9153 55.8843 29.3901 174.9801 92 Q 4.9134 7.5522 117.0892 54.4831 30.8744 175.4851 93 V 4.4853 8.3171 118.7353 61.3253 35.4757 175.2533 94 G 3.8031 8.2382 110.9885 47.7432 0.0000 173.7078 95 C 4.4501 8.7336 121.7885 59.2909 28.2571 173.6038 96 R 4.2983 8.4051 121.5616 55.2481 29.0527 176.7999 97 K 4.5813 8.3028 120.7345 55.6497 33.9384 176.1238 98 V 4.4484 6.9929 110.8962 58.8029 35.4390 174.9782 99 Y 4.2487 7.8358 120.0494 58.8006 38.3486 175.9846 100 E 4.9622 9.5437 122.1978 54.6879 33.5568 175.0157 101 L 5.2163 8.7889 121.1905 53.8858 43.4482 175.7032 102 H 5.0587 9.2096 121.7274 54.3534 31.7772 173.6857 103 H 5.0842 8.5220 118.1157 55.1431 29.2920 175.1376 104 D 4.4060 9.5467 122.7616 54.4575 41.8703 172.7483 105 K 3.5360 7.9836 126.7085 55.3736 33.8688 174.7262 *111 G 3.6418 8.4874 113.0919 45.4431 0.0000 172.1726 112 E 4.3335 8.4594 124.6574 55.3068 30.8598 177.0918 113 V 3.2988 8.2228 121.4247 65.6085 31.6956 176.6395 114 Y 4.0598 7.6394 115.1491 57.4417 38.1409 174.4431 115 D 4.8015 7.6656 120.6252 52.8164 40.6543 176.8492 116 M 4.2855 8.7826 127.8899 57.6589 32.1036 177.5378 117 D 4.5548 8.5200 117.5683 55.4263 41.4636 176.1508 118 N 4.9037 8.5189 118.1513 53.2031 40.1877 173.4743 119 I 5.0125 7.7058 117.7707 60.0440 39.8153 175.0063 120 R 4.8891 9.1312 125.2993 54.2767 33.6126 175.0466 121 V 4.5866 9.1746 124.1275 62.8540 32.8472 174.9897 122 T 5.3422 9.1539 117.7515 60.0260 72.2852 173.5221 123 T 4.3354 8.5190 113.3856 60.4633 70.2695 174.0772 124 P 4.1982 0.0000 0.0000 64.5885 31.6420 176.7663 125 K 4.1381 7.9818 122.9410 56.3405 32.1223 175.3119 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 8 P 0.00 4.75 0.00 2.07 2.16 0.00 3.57 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.14 0.00 9 G 7.97 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 0.00 0.00 0.00 10 K 8.90 5.07 0.00 1.62 1.73 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 A 9.03 4.73 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 12 T 8.98 4.79 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 1.31 0.00 0.00 13 G 9.06 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 14 K 9.28 4.27 0.00 1.82 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 15 G 8.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.07 4.65 0.00 1.78 1.63 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.40 7.81 17 P 0.00 4.73 0.00 2.02 1.97 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 18 V 7.90 4.50 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.44 0.00 0.00 19 G 8.22 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.50 0.00 2.73 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.89 4.65 0.00 2.07 2.05 0.00 1.57 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.38 7.81 22 W 8.29 4.27 0.00 3.63 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 23 L 6.90 3.35 0.00 1.14 0.89 0.28 -0.45 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 24 D 8.06 4.40 0.00 2.83 2.73 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 25 D 8.16 4.38 0.00 3.00 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 26 A 7.79 4.34 1.46 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 0.00 0.00 27 G 7.79 3.66 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 0.00 0.00 0.00 28 K 7.96 4.41 0.00 2.13 1.78 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 29 D 8.56 4.44 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.07 4.08 0.00 4.00 4.02 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 31 G 7.94 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 0.00 0.00 0.00 32 A 8.44 5.06 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 33 P 0.00 4.84 0.00 2.11 2.11 0.00 3.92 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 2.03 2.03 0.00 34 I 8.23 3.88 1.88 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 1.57 0.89 0.85 0.00 0.00 35 P 0.00 4.55 0.00 1.72 1.42 0.00 3.19 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.66 0.00 36 D 8.70 4.83 0.00 2.87 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 37 R 7.75 3.89 0.00 1.72 1.92 0.00 3.06 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 38 I 7.35 3.62 1.80 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 1.28 0.61 0.71 0.00 0.00 39 A 7.89 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.33 0.00 2.79 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 41 K 7.58 4.15 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.57 7.81 42 L 7.96 4.62 0.00 1.83 1.97 0.62 0.84 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 43 R 7.52 4.23 0.00 1.96 1.88 0.00 3.36 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 44 D 9.36 4.58 0.00 2.81 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 45 K 7.90 4.18 0.00 2.24 1.21 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.24 7.81 46 E 8.19 4.60 0.00 1.78 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 2.12 2.36 0.00 47 F 8.88 4.84 0.00 2.66 3.02 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 48 K 9.10 4.17 0.00 2.04 1.95 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.40 7.81 49 S 7.81 4.98 0.00 4.17 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 50 F 9.03 4.29 0.00 3.06 3.20 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 51 D 8.35 4.45 0.00 2.83 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 52 D 8.32 4.49 0.00 3.14 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 53 F 8.19 3.00 0.00 2.69 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 54 R 7.88 3.29 0.00 1.47 1.96 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 55 K 8.26 4.33 0.00 2.05 2.02 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.56 7.81 56 A 7.67 3.92 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 57 V 7.07 3.05 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 0.21 0.00 0.00 -0.18 0.00 0.00 58 W 7.63 4.46 0.00 3.51 3.32 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 59 E 8.53 4.15 0.00 2.15 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 2.34 2.60 0.00 60 E 8.31 3.96 0.00 1.92 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 2.47 2.40 0.00 61 V 8.16 3.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 1.05 0.00 0.00 62 S 8.53 4.26 0.00 4.12 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.65 4.53 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 64 D 7.57 4.69 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.31 0.00 2.20 2.10 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 66 E 8.14 4.15 0.00 1.96 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 2.30 2.40 0.00 67 L 8.14 4.29 0.00 1.66 1.70 0.67 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.07 4.79 0.00 4.14 4.43 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 69 K 7.71 4.03 0.00 1.97 2.27 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.71 1.44 7.81 70 N 8.11 4.62 0.00 2.86 2.90 0.00 0.00 7.00 7.78 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 71 L 7.68 4.31 0.00 1.90 1.61 1.00 1.03 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 72 N 8.42 4.77 0.00 2.92 2.99 0.00 0.00 6.26 7.76 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 73 P 0.00 4.28 0.00 2.18 2.14 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 74 S 8.07 4.14 0.00 3.99 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 75 N 8.52 4.48 0.00 2.99 2.90 0.00 0.00 7.04 7.48 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 76 K 8.47 3.99 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.88 7.81 77 S 8.09 4.14 0.00 4.12 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 78 S 7.90 4.27 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.19 4.26 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.11 0.00 0.00 80 S 7.92 4.19 0.00 4.01 4.12 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 81 K 7.22 4.18 0.00 1.01 0.88 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.20 1.34 7.81 82 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 83 Y 7.44 4.79 0.00 2.92 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 84 S 8.27 2.79 0.00 3.54 3.39 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 85 P 0.00 4.46 0.00 2.18 2.05 0.00 2.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 86 F 8.73 4.42 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 87 T 8.22 4.02 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 0.14 0.00 0.00 88 P 0.00 4.27 0.00 2.28 2.03 0.00 3.70 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 2.11 0.00 89 K 8.87 3.79 0.00 1.81 1.81 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.49 7.81 90 N 8.10 4.66 0.00 2.84 2.91 0.00 0.00 5.86 7.39 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 91 Q 8.24 4.50 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 92 Q 7.55 4.91 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 93 V 8.32 4.49 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 0.72 0.00 0.00 0.92 0.00 0.00 94 G 8.24 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 95 C 8.73 4.45 0.00 2.96 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 96 R 8.41 4.30 0.00 1.95 1.98 0.00 3.06 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 97 K 8.30 4.58 0.00 1.80 1.93 0.00 1.76 0.00 0.00 2.04 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 98 V 6.99 4.45 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 -0.54 0.00 0.00 0.67 0.00 0.00 99 Y 7.84 4.25 0.00 2.81 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 0.00 100 E 9.54 4.96 0.00 1.90 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 2.27 2.41 0.00 101 L 8.79 5.22 0.00 1.91 1.92 0.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.21 5.06 0.00 3.08 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.52 5.08 0.00 2.93 3.14 0.00 5.69 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 0.00 104 D 9.55 4.41 0.00 2.73 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 0.00 105 K 7.98 3.54 0.00 1.92 1.75 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.34 7.81 *111 G 8.49 3.64 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 0.00 112 E 8.46 4.33 0.00 1.96 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 2.29 2.27 0.00 113 V 8.22 3.30 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 0.06 0.00 0.00 0.68 0.00 0.00 114 Y 7.64 4.06 0.00 3.13 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 0.00 115 D 7.67 4.80 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.78 4.29 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.79 0.00 117 D 8.52 4.55 0.00 2.81 2.72 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 0.00 118 N 8.52 4.90 0.00 2.97 2.91 0.00 0.00 6.90 7.36 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 0.00 119 I 7.71 5.01 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.93 1.12 0.00 0.00 120 R 9.13 4.89 0.00 1.68 1.83 0.00 3.33 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 121 V 9.17 4.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.08 0.00 0.00 122 T 9.15 5.34 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 1.17 0.00 0.00 123 T 8.52 4.34 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 1.18 0.00 0.00 124 P 0.00 4.20 0.00 2.14 2.11 0.00 3.70 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 125 K 7.98 4.14 0.00 1.67 1.77 0.00 2.02 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.