NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.1940 8.1749 115.2406 61.6532 68.2315 173.2389 5 D 4.2905 8.6383 129.7072 52.9956 40.9811 172.3982 6 E 4.2315 9.4402 127.3414 55.5545 31.3401 175.4028 7 T 4.4185 8.6026 123.5845 63.2159 69.5608 174.1202 8 A 4.6694 9.0406 127.9034 52.6437 21.5153 176.3343 9 F 5.3849 8.2191 115.9748 56.6171 43.3488 173.7802 10 L 5.2099 7.6921 125.0159 53.6951 46.2169 173.7706 11 N 5.2232 9.4806 123.4964 52.0025 41.8063 172.9310 12 S 4.9695 8.9005 122.3892 56.4602 62.4716 172.8076 13 L 5.1733 8.4161 126.5616 54.1688 43.9167 175.6131 14 F 5.7143 8.2426 113.3821 55.3541 41.2084 172.1048 *16 D 4.8955 8.5674 116.6205 54.9197 42.0869 175.1468 17 F 5.1015 9.1571 122.4874 56.0862 41.0604 176.3772 18 T 4.3472 8.9078 110.0758 63.0530 69.7108 175.1154 19 S 4.4937 7.5564 116.4479 56.0705 66.9194 174.5687 20 E 3.8682 8.3848 123.5893 59.5545 29.5511 178.7538 21 N 4.2895 8.1302 116.0973 56.3646 38.5666 176.8152 22 E 4.0193 8.1615 120.4787 59.0380 29.6895 178.4892 23 L 2.7276 7.5824 120.0506 57.9938 42.1146 178.8702 24 E 3.9174 8.3745 118.7224 59.2775 29.1139 179.1983 25 L 4.0166 7.8635 119.6737 57.9186 42.5582 178.4463 26 F 3.8225 8.3845 120.7302 61.1002 39.3892 176.9535 27 L 4.0399 8.1357 118.7565 57.9177 41.3327 179.4749 28 K 4.2710 8.0698 115.4767 57.9493 31.7208 178.2874 29 S 4.6319 7.4942 114.9127 58.3405 63.2883 175.7122 30 L 4.0798 7.8663 126.4530 58.2304 41.1560 179.5491 31 D 4.6806 8.0636 119.8695 58.1291 39.8221 181.4870 32 E 4.2899 7.6657 116.2220 59.2891 29.4186 178.8057 33 V 3.8052 7.2478 117.0221 63.9624 33.3001 176.9856 34 W 4.4335 8.0705 121.2824 55.4171 27.6187 176.9552 35 S 4.5503 7.5134 117.0750 57.7108 65.4425 175.1661 36 E 4.2985 8.7368 121.9872 59.2379 29.0996 179.1256 37 D 4.3244 8.0933 118.0593 57.2294 41.3247 177.8257 38 L 3.9435 7.8993 120.6776 58.5342 42.1562 178.3552 39 Y 4.5173 8.1714 116.7485 61.3321 37.8474 178.7357 40 S 4.1814 8.6147 114.2580 61.6955 62.3901 176.5884 41 R 4.0639 7.9199 120.7489 59.1012 29.7303 179.0443 42 L 4.1862 8.4837 119.5477 57.7017 41.6107 179.5975 43 S 5.0122 9.1011 115.9438 61.1008 62.7075 176.4895 44 A 4.0866 7.8954 122.7478 54.3466 18.2996 178.5790 45 A 4.3499 7.9088 117.9437 52.2929 19.0044 177.5468 46 G 3.7584 7.6222 105.9224 44.4689 0.0000 173.6531 47 L 4.5012 8.7151 125.3051 55.5555 42.4831 177.1325 48 I 4.1161 8.8657 127.6524 63.0802 38.4705 176.1783 49 R 4.5584 7.4565 119.8712 55.3104 33.8007 173.4908 50 H 4.9276 8.2980 123.9589 54.9240 32.5125 172.3832 51 V 4.2373 8.1903 125.9985 60.9517 33.7574 174.5638 52 I 4.6256 8.1582 127.8273 59.5636 39.6774 174.8475 53 S 4.6400 9.0588 120.3864 56.4067 66.4567 172.3656 54 K 4.7561 8.5228 126.5582 54.7729 33.0541 175.7850 55 V 3.7995 8.5084 131.3343 63.0431 32.2941 176.8281 *56 W 4.3329 8.5985 129.1054 55.0984 27.3070 172.2413 57 N 4.7661 8.2641 125.9433 52.0041 40.5493 176.1160 *58 K 4.0488 8.7187 128.2142 57.3216 32.0369 174.3889 59 E 4.2502 8.5415 116.2761 58.1126 29.7408 176.1714 60 Q 4.7105 7.6842 116.1035 54.3694 32.5479 175.1685 61 H 4.9515 8.4698 116.1423 53.6917 29.4452 172.0173 62 R 5.0487 8.2316 121.7172 54.2744 33.3343 173.9352 63 I 5.1703 8.4827 125.4754 59.7014 40.7862 174.8277 64 S 5.5986 8.5295 120.5985 55.5317 66.9061 172.4017 *66 V 4.2844 8.0680 117.9971 63.1894 32.6184 174.2195 67 F 5.1519 9.4051 127.1735 55.6844 41.6821 174.4701 68 E 5.0850 9.0044 123.0023 54.7203 32.7172 174.7030 69 Y 5.4840 9.1713 121.4698 55.9837 41.6194 176.4900 70 D 4.8620 9.2859 121.8623 56.2272 40.7334 176.0536 71 S 4.5455 7.8183 111.7680 56.1322 65.3985 176.1815 72 K 3.1376 8.1689 121.6063 58.9394 31.7246 178.6021 73 E 3.9520 8.0429 119.7630 58.9869 29.6173 178.7055 74 G 3.8084 8.2892 106.1783 47.6083 0.0000 174.8193 75 Y 2.9078 7.5509 121.8915 60.4223 38.7814 178.5674 76 Q 3.6071 7.7751 118.5598 58.6530 28.7731 178.8435 77 K 3.9747 8.0747 119.6521 59.6034 32.0650 179.2466 78 C 4.2876 8.2017 117.0627 62.7383 27.9387 176.1375 79 Q 3.9234 7.6741 119.9375 58.5101 28.2584 178.2697 80 E 3.8841 7.8424 120.1371 59.1579 29.8088 178.8269 81 I 3.6674 7.7723 119.8159 64.5976 36.9899 178.3934 82 I 3.7954 7.8021 120.5547 64.5131 36.6682 178.0226 83 D 4.3663 7.7381 117.7085 57.2300 41.2082 178.0340 84 K 4.1357 7.7691 116.7977 58.1632 32.2217 178.5040 85 E 3.7777 7.5865 119.1840 57.0998 29.7826 176.2308 86 F 5.1200 7.0620 115.0632 55.7080 43.3493 175.2185 87 G 3.9379 8.0463 113.7662 43.6397 0.0000 175.6170 88 I 3.7367 8.5850 120.5957 64.1040 37.9731 178.0906 89 T 3.8874 7.8379 116.4849 66.3972 68.3398 176.2748 90 L 3.9046 7.9107 121.7257 57.9535 42.0510 178.2694 91 K 3.8372 7.8315 118.3857 60.1195 32.2210 178.0390 92 E 4.1812 8.3416 118.1863 59.0122 29.3952 179.4375 93 K 4.0880 7.9511 118.4715 59.4097 32.0460 179.0537 94 L 4.6945 8.4013 118.5290 56.7322 41.3535 178.6944 95 K 4.2394 7.7931 121.4722 58.6910 32.3342 178.1661 96 K 4.0968 7.9960 119.2489 56.0704 32.0244 182.2009 97 F 5.3537 7.6523 115.0784 56.5580 41.2356 175.4329 98 V 4.2914 9.6535 122.2386 61.5682 33.9059 174.5626 99 F 4.6039 7.2665 119.0383 56.6616 39.4889 172.7188 100 K 4.3805 8.4613 122.5724 54.4108 34.2243 175.5262 101 I 4.0015 8.2523 126.9525 61.2534 37.8587 174.9406 102 H 4.4746 8.6881 123.6706 54.3905 29.4397 173.9893 103 N 4.9610 8.4815 120.9007 52.5319 40.4758 175.8328 104 N 4.9376 9.1499 118.8516 51.9532 40.8867 172.8609 105 R 4.7178 7.9414 120.8686 54.1391 32.8860 175.4503 106 G 3.7944 6.9458 108.1859 46.0097 0.0000 171.9605 107 V 4.5707 8.3484 119.8820 62.1447 32.3769 176.0820 108 V 3.8134 8.7199 128.1878 62.8068 32.0138 175.8046 109 V 4.2025 8.3149 125.6329 63.8063 33.0082 175.6244 110 S 4.6447 7.5977 111.5950 56.7673 65.1786 172.6223 111 E 4.5795 8.6329 126.6011 54.5383 32.0633 173.8776 112 F 4.9580 8.8996 128.1458 56.3067 41.4338 174.4126 113 I 4.1908 7.0142 127.3507 58.8407 40.2553 175.2865 114 R 3.5784 8.0362 127.0829 56.7870 30.7262 177.0767 *115 S 4.2792 8.4865 119.4683 58.4187 62.9829 172.3371 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 4 T 8.17 4.19 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 1.19 0.00 0.00 5 D 8.64 4.29 0.00 2.78 2.62 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 6 E 9.44 4.23 0.00 1.94 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 2.30 2.34 0.00 7 T 8.60 4.42 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 1.33 0.00 0.00 8 A 9.04 4.67 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 9 F 8.22 5.38 0.00 3.10 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 10 L 7.69 5.21 0.00 1.71 1.27 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 N 9.48 5.22 0.00 2.87 2.84 0.00 0.00 6.67 7.80 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 12 S 8.90 4.97 0.00 3.93 3.79 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 13 L 8.42 5.17 0.00 1.98 2.02 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.24 5.71 0.00 3.11 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 *16 D 8.57 4.90 0.00 2.70 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 17 F 9.16 5.10 0.00 2.95 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 18 T 8.91 4.35 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 1.29 0.00 0.00 19 S 7.56 4.49 0.00 4.00 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 20 E 8.38 3.87 0.00 2.12 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 2.41 2.65 0.00 21 N 8.13 4.29 0.00 2.77 2.86 0.00 0.00 6.76 7.66 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 22 E 8.16 4.02 0.00 2.18 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 0.00 2.81 2.62 0.00 23 L 7.58 2.73 0.00 1.60 1.74 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.37 3.92 0.00 2.19 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 2.51 0.00 25 L 7.86 4.02 0.00 1.76 2.05 0.97 0.51 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 26 F 8.38 3.82 0.00 2.69 2.64 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 27 L 8.14 4.04 0.00 1.91 1.72 0.93 0.98 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 28 K 8.07 4.27 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.56 7.81 29 S 7.49 4.63 0.00 3.69 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 30 L 7.87 4.08 0.00 1.79 1.96 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.06 4.68 0.00 2.77 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 32 E 7.67 4.29 0.00 2.05 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 2.33 2.29 0.00 33 V 7.25 3.81 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 -0.74 0.00 0.00 0.42 0.00 0.00 34 W 8.07 4.43 0.00 3.24 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 35 S 7.51 4.55 0.00 4.07 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 36 E 8.74 4.30 0.00 2.09 2.16 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 2.50 2.38 0.00 37 D 8.09 4.32 0.00 2.80 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 38 L 7.90 3.94 0.00 1.73 1.75 0.94 0.94 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 39 Y 8.17 4.52 0.00 3.30 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 40 S 8.61 4.18 0.00 4.07 4.06 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 0.00 0.00 0.00 41 R 7.92 4.06 0.00 1.88 1.99 0.00 3.17 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 L 8.48 4.19 0.00 1.94 1.96 1.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.10 5.01 0.00 4.12 4.34 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 0.00 0.00 0.00 0.00 44 A 7.90 4.09 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 45 A 7.91 4.35 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 46 G 7.62 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 47 L 8.72 4.50 0.00 2.01 1.71 0.79 1.55 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 48 I 8.87 4.12 1.95 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 1.14 0.93 0.88 0.00 0.00 49 R 7.46 4.56 0.00 1.75 1.59 0.00 3.25 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 50 H 8.30 4.93 0.00 2.86 2.83 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.19 4.24 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 0.73 0.00 0.00 0.79 0.00 0.00 52 I 8.16 4.63 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.31 0.91 0.00 0.00 53 S 9.06 4.64 0.00 3.78 3.59 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 54 K 8.52 4.76 0.00 1.80 1.70 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.43 7.81 55 V 8.51 3.80 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.90 0.00 0.00 *56 W 8.60 4.33 0.00 2.55 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 0.00 0.00 0.00 57 N 8.26 4.77 0.00 2.61 2.62 0.00 0.00 7.22 6.24 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 *58 K 8.72 4.05 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 59 E 8.54 4.25 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 2.32 2.26 0.00 60 Q 7.68 4.71 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 61 H 8.47 4.95 0.00 3.39 3.31 0.00 5.57 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 62 R 8.23 5.05 0.00 1.96 1.76 0.00 2.93 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 63 I 8.48 5.17 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 1.04 0.00 0.00 64 S 8.53 5.60 0.00 3.92 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 *66 V 8.07 4.28 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 0.95 0.00 0.00 0.92 0.00 0.00 67 F 9.41 5.15 0.00 3.02 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 5.09 0.00 1.75 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 2.18 2.18 0.00 69 Y 9.17 5.48 0.00 3.18 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 70 D 9.29 4.86 0.00 2.88 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 71 S 7.82 4.55 0.00 3.97 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 72 K 8.17 3.14 0.00 1.17 1.50 0.00 1.31 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.00 0.21 7.81 73 E 8.04 3.95 0.00 2.06 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 2.35 2.40 0.00 74 G 8.29 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.55 2.91 0.00 2.16 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 76 Q 7.78 3.61 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 77 K 8.07 3.97 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.62 7.81 78 C 8.20 4.29 0.00 3.23 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 79 Q 7.67 3.92 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 80 E 7.84 3.88 0.00 2.20 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 2.27 2.36 0.00 81 I 7.77 3.67 2.04 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 1.52 0.91 0.92 0.00 0.00 82 I 7.80 3.80 1.93 0.00 0.00 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 1.61 0.92 1.05 0.00 0.00 83 D 7.74 4.37 0.00 2.76 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 84 K 7.77 4.14 0.00 2.15 1.79 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.31 7.81 85 E 7.59 3.78 0.00 1.79 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 1.47 1.47 0.00 86 F 7.06 5.12 0.00 2.97 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 87 G 8.05 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 88 I 8.59 3.74 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 1.65 1.21 0.92 0.00 0.00 89 T 7.84 3.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 90 L 7.91 3.90 0.00 1.76 1.82 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.83 3.84 0.00 2.16 1.98 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.39 7.81 92 E 8.34 4.18 0.00 2.16 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 2.34 2.52 0.00 93 K 7.95 4.09 0.00 2.05 2.01 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.67 7.81 94 L 8.40 4.69 0.00 1.97 1.92 0.99 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 95 K 7.79 4.24 0.00 1.91 1.97 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 96 K 8.00 4.10 0.00 1.85 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.28 7.81 97 F 7.65 5.35 0.00 3.56 3.62 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 98 V 9.65 4.29 2.18 0.00 0.00 0.00 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 0.96 0.00 0.00 99 F 7.27 4.60 0.00 2.53 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.46 4.38 0.00 1.57 1.55 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.02 1.26 7.81 101 I 8.25 4.00 1.88 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.92 0.97 0.00 0.00 102 H 8.69 4.47 0.00 1.40 2.43 0.00 5.80 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.48 4.96 0.00 2.59 2.73 0.00 0.00 6.94 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.15 4.94 0.00 2.83 2.69 0.00 0.00 7.01 7.80 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 0.00 105 R 7.94 4.72 0.00 1.55 1.40 0.00 3.22 0.00 0.00 2.79 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 106 G 6.95 3.79 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 0.00 0.00 0.00 107 V 8.35 4.57 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 0.91 0.00 0.00 1.03 0.00 0.00 108 V 8.72 3.81 2.24 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 0.85 0.00 0.00 0.98 0.00 0.00 109 V 8.31 4.20 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 0.86 0.00 0.00 0.98 0.00 0.00 110 S 7.60 4.64 0.00 3.83 3.68 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 0.00 0.00 0.00 111 E 8.63 4.58 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 112 F 8.90 4.96 0.00 2.97 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 0.00 113 I 7.01 4.19 1.62 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 1.17 0.63 0.75 0.00 0.00 114 R 8.04 3.58 0.00 1.74 1.73 0.00 3.30 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 *115 S 8.49 4.28 0.00 3.60 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 * Residues marked with a * may have inaccurate shift predictions.