NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 3.9544 8.1849 122.4273 54.8350 43.1718 175.6390 -3 Y 4.7768 8.2092 123.6571 54.4064 39.7446 174.2852 -2 F 5.2324 9.0750 119.1422 55.3375 41.9179 174.2292 -1 Q 4.2274 8.5919 121.5715 57.4363 28.9326 177.4497 0 G 3.9761 8.7359 105.6449 46.0699 0.0000 171.1177 -2 P 5.0324 0.0000 0.0000 60.9375 34.4179 175.7292 -1 H 4.6174 8.6919 119.9715 56.7363 28.5326 175.5497 0 L 4.3561 8.5659 118.6449 56.0699 39.4112 173.8177 5 V 4.7080 8.7527 126.6312 61.2489 34.0975 174.0184 6 I 4.8459 8.8080 129.4860 59.6383 39.5387 174.3962 7 E 4.9426 9.5019 126.7504 54.3215 32.3956 174.9383 8 A 4.9600 8.2183 125.6268 49.7318 22.4328 175.5995 9 T 3.4412 7.8665 112.4623 61.1133 69.2725 175.7096 10 A 3.9336 7.8875 126.8802 54.9413 18.5414 178.4397 11 N 4.6092 7.2423 111.3763 53.4852 37.9814 175.2503 12 L 4.1329 7.6172 122.6033 55.2930 43.0705 176.0282 13 R 4.6669 9.0587 125.2594 54.5852 32.1962 175.4038 14 L 5.1740 8.4320 123.1637 53.0859 44.2652 176.5006 15 E 4.3638 9.4463 120.1238 57.9633 30.4838 176.7450 16 T 4.7627 7.5718 108.2861 58.6470 72.0762 174.1976 17 S 4.2586 8.6530 117.3188 57.5883 64.9554 173.4377 18 P 3.6479 0.0000 0.0000 65.5678 30.8608 179.1268 19 G 3.5972 7.8688 103.9113 47.9212 0.0000 175.4504 20 E 3.9355 7.9449 120.6034 58.8400 29.3595 179.1805 21 L 3.8979 7.9253 120.5877 58.0712 42.0889 178.9329 22 L 3.9633 8.1637 119.3417 57.7788 41.5080 178.9662 23 E 3.9032 8.3695 119.3732 59.6457 29.5540 179.0554 24 Q 3.9772 8.2971 117.7062 58.7590 28.6988 178.5440 25 A 4.0257 8.2999 122.0894 55.3420 18.4596 179.4816 26 N 4.3063 8.4919 115.0172 56.3624 38.4962 177.5391 27 A 4.1490 8.3910 122.2073 54.9903 18.2343 179.5106 28 A 3.9786 7.9628 118.3067 55.4082 18.9033 179.5605 29 L 4.2658 8.2033 117.5989 58.0926 41.7263 179.6395 30 F 4.3478 8.9567 120.8300 61.1452 39.1275 176.9328 31 A 4.0160 8.3242 119.9684 54.4007 18.1825 179.3041 32 S 4.1385 7.6675 112.2676 59.4900 62.9715 175.7297 33 G 3.6422 7.4323 109.2221 45.7979 0.0000 173.9490 34 Q 4.0272 7.2848 117.4637 55.6627 29.3868 175.7281 35 F 5.4152 7.3321 115.3942 55.1758 43.1784 174.7579 36 G 4.2645 9.0391 111.6889 44.7364 0.0000 174.1869 37 E 3.5827 9.2865 123.6775 58.9756 29.5440 178.3658 38 A 4.2545 7.8822 117.4270 52.7941 19.3434 177.3140 39 D 4.6088 7.9794 115.9537 55.5486 41.5029 176.1524 40 I 4.1998 7.1927 120.3809 60.8872 37.4504 175.9261 41 K 4.6461 8.6074 127.4432 54.5974 34.0477 175.8226 42 S 6.0220 8.7193 119.5432 56.6752 66.0668 173.5733 43 R 4.8129 8.3825 116.2715 54.7600 33.1357 173.2220 44 F 5.1732 8.9046 122.8853 56.5243 41.8223 174.1438 45 V 4.2896 8.4042 126.7051 61.2247 33.7510 174.4873 46 T 4.3760 8.4224 125.0517 63.1554 69.6293 174.1327 47 L 4.4379 8.7163 127.3853 53.7460 42.3072 177.3997 48 E 4.2001 9.0577 123.8340 57.1512 30.1859 176.2788 49 A 4.5393 8.0067 120.3882 50.2696 20.3345 174.4400 50 Y 5.0607 7.5588 118.4175 56.3786 41.2225 175.0281 51 R 4.6697 8.5252 118.9909 54.7697 34.2761 174.4130 52 Q 4.4839 8.5769 122.2579 54.9093 31.5567 176.0712 53 G 3.8637 8.7871 116.0837 46.2494 0.0000 172.6906 54 T 4.4598 8.3804 106.7353 61.3659 70.8268 174.6123 55 A 4.0999 7.9355 124.0587 52.1843 19.3511 176.9238 56 A 4.5306 8.1926 123.0514 51.6392 18.6318 178.3372 57 V 4.8280 7.1768 119.1622 59.8877 35.1416 174.3517 58 E 4.2981 9.1244 126.7453 56.6644 30.2718 176.0670 59 R 5.1008 8.6951 121.9646 54.5074 34.4675 174.1523 60 A 4.8951 8.6075 122.0426 50.5780 22.5655 174.6394 61 Y 5.0789 7.9903 116.2882 55.8438 42.3965 173.6576 62 L 5.1961 8.9947 121.7152 53.9732 45.8141 174.3662 63 H 5.5720 9.5655 125.2186 54.4707 33.6756 171.7162 64 A 5.1787 8.7612 125.6126 50.1941 23.0707 174.5119 65 C 4.9590 9.0181 120.0836 57.5762 34.8193 172.4683 66 L 4.9080 9.0134 129.8106 53.8013 43.4108 175.0464 67 S 5.3365 8.7047 122.7720 56.8119 64.9818 173.4150 68 I 4.5767 8.3516 117.7603 58.3583 41.1298 174.8346 69 L 4.3644 8.3044 122.4861 54.2152 41.7507 177.3181 70 D 4.8031 8.0325 121.3372 53.6801 39.8273 176.7781 71 G 4.0364 8.9198 107.3516 45.9674 0.0000 174.7930 72 R 4.2174 7.7227 118.1622 55.4716 31.3104 176.1763 73 D 4.6893 8.2491 119.8335 52.4554 42.0061 177.3071 74 A 3.9641 8.4170 120.9542 55.3462 18.3323 179.6622 75 A 3.9330 7.9741 118.7208 55.4825 18.4568 179.7944 76 T 3.7819 8.3221 114.1858 66.9775 68.5869 177.0627 77 R 3.9582 7.8435 119.5124 59.2700 30.0989 178.9767 78 Q 3.9320 8.3510 119.2321 59.0705 29.0941 178.0851 79 A 4.0096 8.1566 121.8306 55.1211 18.4153 179.5418 80 L 4.0905 8.0656 117.5896 58.0411 41.7769 180.0525 81 G 3.6354 8.0929 105.6133 47.7973 0.0000 175.3779 82 E 3.9878 8.3452 121.7135 59.0020 29.5311 178.8195 83 S 4.1243 8.2194 113.3155 61.3033 62.3496 176.1965 84 L 4.0204 7.9771 121.7966 57.9240 41.3603 178.9939 85 C 4.0999 8.2435 118.6984 62.3093 31.4767 175.1982 86 E 3.9252 8.3443 121.0227 59.1675 29.0049 178.9532 87 V 3.5819 7.2964 117.0795 66.0415 32.0707 177.7220 88 L 4.1441 8.2227 118.6303 57.8218 41.6564 179.3472 89 A 4.1340 8.5177 121.2754 55.2366 18.1133 179.9586 90 G 3.6199 8.0964 102.6807 47.3131 0.0000 175.0052 91 A 4.3721 7.8232 121.4754 52.0085 18.6984 177.0230 92 V 3.9731 7.1845 117.8529 62.4189 32.0974 175.5666 93 A 4.4597 8.6122 130.8925 52.0601 19.3882 177.1848 94 G 3.9135 7.5757 101.0066 47.1430 0.0000 170.8268 95 G 4.5232 9.3757 113.4380 45.8731 0.0000 174.6226 96 G 3.9030 8.1947 111.1561 45.3800 0.0000 174.0010 97 E 4.6724 8.8029 121.9864 55.7542 30.0909 175.2679 98 E 4.8086 7.6700 116.2756 55.5776 31.9857 174.6347 99 G 3.7613 8.5950 107.2227 46.1984 0.0000 172.6379 100 V 4.5312 7.9980 119.5015 60.9002 33.3498 175.1305 101 Q 4.3062 8.7778 127.5075 55.7343 29.9836 174.9969 102 V 5.1492 8.4741 123.7985 61.1066 33.9836 174.6665 103 S 4.8533 9.1600 121.4074 56.6231 66.8997 173.0525 104 V 4.7012 8.2677 120.5869 61.2882 34.0090 174.0777 105 E 4.4935 9.1060 129.6399 55.1732 31.4189 174.7365 106 V 4.9310 8.3862 126.3005 61.1858 33.4420 174.5881 107 R 4.7658 9.2618 124.0331 54.7352 33.0345 174.3949 108 E 5.7113 8.1185 117.7370 53.6214 32.5179 174.2851 *110 E 4.5225 8.7199 119.5208 56.5938 30.0390 177.3564 111 R 3.9369 9.3165 124.5726 58.7935 29.9224 178.9331 112 A 4.0566 8.1492 121.0251 54.2513 18.4302 177.8520 113 S 4.6340 7.6168 107.7145 58.0006 63.7021 173.4737 114 Y 4.2522 7.8640 123.1192 57.4740 38.7268 174.2879 115 A 4.7136 7.9963 130.3160 50.2268 21.2436 175.6250 116 K 4.6099 8.0233 119.2668 55.7973 35.4967 175.5616 117 R 4.8295 8.3773 118.2849 55.1160 34.1491 174.3926 118 V 4.0789 8.1802 119.7884 60.9900 33.0754 175.2083 119 V 3.9774 8.1822 127.0125 61.1113 31.7876 175.3847 120 A 4.1007 8.3074 130.4522 51.5599 19.0521 176.9138 121 R 4.0357 8.5933 119.2393 56.9656 29.9622 176.4049 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 L 8.18 3.95 0.00 1.49 1.58 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.21 4.78 0.00 3.15 2.89 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 -2 F 9.08 5.23 0.00 3.31 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 -1 Q 8.59 4.23 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 0 G 8.74 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 -2 P 0.00 5.03 0.00 2.46 1.82 0.00 2.20 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 -1 H 8.69 4.62 0.00 3.36 3.46 0.00 7.19 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.57 4.36 0.00 1.57 1.62 0.92 0.75 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 5 V 8.75 4.71 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 1.00 0.00 0.00 0.94 0.00 0.00 6 I 8.81 4.85 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 1.01 0.00 0.00 7 E 9.50 4.94 0.00 1.87 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 2.20 0.00 8 A 8.22 4.96 0.97 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 9 T 7.87 3.44 2.69 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 -0.38 0.00 0.00 10 A 7.89 3.93 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 11 N 7.24 4.61 0.00 2.82 3.05 0.00 0.00 6.92 7.67 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 12 L 7.62 4.13 0.00 1.58 1.64 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.06 4.67 0.00 1.97 1.81 0.00 3.14 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 14 L 8.43 5.17 0.00 1.60 1.60 0.86 1.09 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 15 E 9.45 4.36 0.00 1.83 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 2.47 2.40 0.00 16 T 7.57 4.76 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 1.25 0.00 0.00 17 S 8.65 4.26 0.00 3.99 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 18 P 0.00 3.65 0.00 1.88 1.10 0.00 3.45 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 19 G 7.87 3.60 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 0.00 20 E 7.94 3.94 0.00 2.19 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 2.30 2.27 0.00 21 L 7.93 3.90 0.00 1.62 1.65 0.93 0.80 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 22 L 8.16 3.96 0.00 1.83 1.71 0.96 0.73 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 23 E 8.37 3.90 0.00 2.09 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 0.00 2.31 2.35 0.00 24 Q 8.30 3.98 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 25 A 8.30 4.03 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 26 N 8.49 4.31 0.00 3.03 2.90 0.00 0.00 6.96 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 27 A 8.39 4.15 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 28 A 7.96 3.98 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 L 8.20 4.27 0.00 1.97 1.87 0.85 0.98 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 30 F 8.96 4.35 0.00 3.27 3.29 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 31 A 8.32 4.02 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 32 S 7.67 4.14 0.00 3.96 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 33 G 7.43 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 34 Q 7.28 4.03 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.61 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 35 F 7.33 5.42 0.00 3.14 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 36 G 9.04 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 0.00 0.00 0.00 0.00 37 E 9.29 3.58 0.00 1.44 1.82 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 1.83 1.74 0.00 38 A 7.88 4.25 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 39 D 7.98 4.61 0.00 3.05 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 40 I 7.19 4.20 1.88 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.91 0.00 0.00 41 K 8.61 4.65 0.00 1.49 1.74 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.53 7.81 42 S 8.72 6.02 0.00 3.85 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 43 R 8.38 4.81 0.00 1.86 2.05 0.00 3.11 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 F 8.90 5.17 0.00 3.01 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 45 V 8.40 4.29 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 0.86 0.00 0.00 0.89 0.00 0.00 46 T 8.42 4.38 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 1.22 0.00 0.00 47 L 8.72 4.44 0.00 1.31 1.62 0.85 0.69 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 48 E 9.06 4.20 0.00 1.99 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 2.30 2.26 0.00 49 A 8.01 4.54 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 50 Y 7.56 5.06 0.00 3.12 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.53 4.67 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 52 Q 8.58 4.48 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 53 G 8.79 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.38 4.46 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 55 A 7.94 4.10 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 56 A 8.19 4.53 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 57 V 7.18 4.83 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 1.34 0.00 0.00 0.95 0.00 0.00 58 E 9.12 4.30 0.00 1.96 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 2.42 2.31 0.00 59 R 8.70 5.10 0.00 1.75 1.97 0.00 3.22 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 60 A 8.61 4.90 1.17 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 61 Y 7.99 5.08 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 62 L 8.99 5.20 0.00 1.78 1.55 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.57 5.57 0.00 3.31 3.16 0.00 5.77 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 64 A 8.76 5.18 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 65 C 9.02 4.96 0.00 2.96 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 66 L 9.01 4.91 0.00 1.76 1.51 0.86 0.67 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 67 S 8.70 5.34 0.00 3.78 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 68 I 8.35 4.58 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.94 0.00 0.00 69 L 8.30 4.36 0.00 1.51 1.56 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.03 4.80 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 71 G 8.92 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.72 4.22 0.00 1.82 1.86 0.00 3.35 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 73 D 8.25 4.69 0.00 2.93 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 74 A 8.42 3.96 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 75 A 7.97 3.93 1.31 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 0.00 0.00 0.00 76 T 8.32 3.78 4.44 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 1.19 0.00 0.00 77 R 7.84 3.96 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 78 Q 8.35 3.93 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.16 4.01 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 80 L 8.07 4.09 0.00 1.93 1.82 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.09 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 82 E 8.35 3.99 0.00 2.12 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 0.00 2.31 2.36 0.00 83 S 8.22 4.12 0.00 3.96 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 84 L 7.98 4.02 0.00 1.92 1.71 0.93 0.85 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 85 C 8.24 4.10 0.00 3.13 3.04 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 0.00 0.00 0.00 86 E 8.34 3.93 0.00 2.14 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 0.00 2.32 2.38 0.00 87 V 7.30 3.58 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 0.93 0.00 0.00 0.99 0.00 0.00 88 L 8.22 4.14 0.00 1.74 1.74 0.94 1.37 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 89 A 8.52 4.13 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 90 G 8.10 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 0.00 0.00 0.00 91 A 7.82 4.37 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 92 V 7.18 3.97 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 0.82 0.00 0.00 0.96 0.00 0.00 93 A 8.61 4.46 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 94 G 7.58 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.38 4.52 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 96 G 8.19 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 97 E 8.80 4.67 0.00 2.09 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 2.39 2.22 0.00 98 E 7.67 4.81 0.00 2.05 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 2.20 2.33 0.00 99 G 8.59 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 0.00 100 V 8.00 4.53 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 0.94 0.00 0.00 0.95 0.00 0.00 101 Q 8.78 4.31 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.47 5.15 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 0.87 0.00 0.00 0.97 0.00 0.00 103 S 9.16 4.85 0.00 3.95 3.91 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 0.00 0.00 0.00 104 V 8.27 4.70 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 0.79 0.00 0.00 0.93 0.00 0.00 105 E 9.11 4.49 0.00 2.14 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 2.27 2.26 0.00 106 V 8.39 4.93 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 0.91 0.00 0.00 1.00 0.00 0.00 107 R 9.26 4.77 0.00 1.83 2.17 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 108 E 8.12 5.71 0.00 2.00 1.88 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 2.27 2.20 0.00 *110 E 8.72 4.52 0.00 2.04 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 2.38 2.28 0.00 111 R 9.32 3.94 0.00 2.01 2.17 0.00 2.82 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 112 A 8.15 4.06 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 0.00 113 S 7.62 4.63 0.00 3.97 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 0.00 114 Y 7.86 4.25 0.00 3.03 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 0.00 115 A 8.00 4.71 1.14 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 0.00 116 K 8.02 4.61 0.00 1.82 1.42 0.00 0.67 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.13 7.81 117 R 8.38 4.83 0.00 1.80 1.84 0.00 3.18 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 118 V 8.18 4.08 1.84 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 0.62 0.00 0.00 0.09 0.00 0.00 119 V 8.18 3.98 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 0.83 0.00 0.00 0.92 0.00 0.00 120 A 8.31 4.10 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 0.00 121 R 8.59 4.04 0.00 1.75 1.83 0.00 3.25 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.