NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 5.1570 8.2798 120.2798 61.8975 33.0051 174.2012 3 Q 4.6494 8.6845 119.5150 54.0564 31.9643 172.5015 4 L 5.0354 8.7287 120.9098 53.3173 44.3148 177.1800 5 V 4.4465 8.6169 122.6085 61.1233 34.8862 173.7848 6 E 5.2451 8.8549 126.9367 55.4021 31.4774 175.7413 7 S 4.7543 9.4102 123.7777 58.6559 65.8296 174.1775 8 G 3.7594 9.2576 108.9032 44.6299 0.0000 171.6652 9 G 3.5812 8.4519 103.4445 44.3822 0.0000 172.1567 10 G 3.8805 7.6196 104.5049 43.4695 0.0000 172.0981 11 S 5.3276 8.2552 114.6879 56.6129 64.8388 174.0598 12 V 4.5707 9.3490 123.2509 59.7987 35.3486 174.2170 13 Q 4.6799 8.5826 122.5616 54.9626 30.4514 174.7618 14 A 4.2068 8.7763 128.6341 54.0813 18.8437 178.3184 15 G 3.9146 9.3088 110.5341 45.1896 0.0000 173.9315 16 G 3.9620 7.7519 107.5280 45.7495 0.0000 172.3719 17 S 5.2900 7.9368 113.5917 56.5714 65.7277 172.8915 18 L 4.2094 7.9712 121.2458 54.1167 45.8020 172.9880 19 R 4.7838 8.1975 126.1840 54.4929 32.6500 174.3141 20 L 4.3470 8.1050 126.6016 53.8426 43.6356 175.7711 21 S 5.2785 8.4987 115.3465 56.9639 66.6576 173.0357 22 C 5.6019 9.7336 125.2953 55.5240 48.3769 172.5493 23 T 5.1559 9.1921 122.6196 61.6223 71.4755 172.8736 24 A 4.7568 8.3014 128.4218 51.1880 19.6247 176.5887 25 S 4.5006 9.3184 117.9741 56.9453 66.2376 173.4689 26 G 4.1128 8.8929 109.1928 47.0707 0.0000 171.4196 27 G 4.1281 7.8159 116.6134 45.3960 0.0000 173.0573 28 S 4.5193 8.5430 120.7288 58.3874 65.1590 173.4871 *31 S 4.2976 7.7820 114.9355 58.0858 63.2696 173.9605 32 Y 4.0047 8.6988 128.0101 60.7980 38.2099 177.8013 33 S 4.2779 8.3788 112.7564 60.4103 63.1564 175.2334 34 T 4.0884 7.9134 117.8505 64.2155 68.9563 174.0768 35 F 4.9215 8.6670 121.2888 56.0190 41.0778 175.3766 36 S 4.8481 9.0307 118.2075 56.7903 65.3080 173.3287 37 L 5.4632 8.9901 123.5499 53.3212 45.6146 175.6831 38 G 4.5152 8.3079 106.8367 44.9268 0.0000 171.6271 39 W 5.4492 9.4218 122.5797 54.9789 31.4612 175.4818 40 F 5.4238 9.8795 122.7589 55.7907 42.8494 174.0905 41 R 5.0920 8.9245 116.2147 55.1576 33.7543 173.9590 42 Q 4.7459 8.6257 119.5217 55.4639 32.6298 173.6046 43 A 4.8649 8.6010 129.2252 49.5383 21.2339 173.9684 44 P 4.3957 0.0000 0.0000 64.5042 31.7072 175.6925 45 G 4.3913 9.1571 117.4258 46.1813 0.0000 174.0213 46 Q 4.2062 7.0283 117.4670 54.8139 29.3493 176.1201 47 E 4.2694 8.2891 119.6337 55.5937 30.9502 175.8908 48 R 4.4666 8.3338 120.3194 55.8240 30.6588 175.2872 49 E 4.8598 8.7530 123.0540 54.6080 32.8941 174.6458 50 A 3.8000 8.2289 121.3205 51.0045 20.0559 176.6811 51 V 4.2694 8.4542 119.0920 64.1621 34.2771 175.2763 52 A 5.0578 7.7230 118.7824 51.2909 22.7015 174.5569 53 A 5.2133 8.7359 119.9162 50.8852 23.8327 175.7262 54 I 4.8132 9.8567 119.9545 59.5771 40.6219 174.6304 55 A 4.0220 9.5321 132.7021 51.8672 19.9787 177.2991 56 S 4.5974 8.2097 113.6216 59.3866 65.3738 174.7304 57 M 3.4076 7.9565 120.9358 54.4737 30.0794 178.2464 58 G 4.5198 8.0934 117.9238 46.7607 0.0000 174.8371 59 G 4.2594 7.2786 108.7978 44.9934 0.0000 173.4338 60 L 4.2286 8.3852 120.4531 54.7857 42.4492 176.5551 61 T 5.1353 8.2348 113.6601 60.5155 71.5346 173.2240 62 Y 4.7641 8.2076 118.6102 56.9113 42.7205 173.7782 63 Y 5.0958 8.5189 118.4367 56.0672 42.3361 175.0739 64 A 4.2655 8.9868 123.5837 51.7753 19.8943 178.4387 65 D 4.2767 9.0281 120.4454 57.6727 41.0115 179.4927 66 S 4.1093 8.0346 111.4942 60.5450 62.9350 175.0594 67 V 3.9103 7.4079 111.8197 60.1617 33.1082 175.4885 68 K 3.8958 7.7112 122.0093 57.7992 32.6063 174.7091 69 G 4.2004 8.7736 114.1894 45.9078 0.0000 174.8297 70 R 4.2348 7.7316 117.7742 58.3535 30.8771 176.3789 71 F 4.8725 8.1249 115.7388 57.7037 40.0845 175.5731 72 T 4.6205 9.0140 118.9781 62.1335 71.8555 172.9194 73 I 5.4672 9.6379 127.8922 59.9662 39.7796 174.7581 74 S 4.9223 8.4418 120.6590 58.0146 66.4342 172.2757 75 R 5.2098 8.3603 114.3463 55.5259 32.4224 174.7871 76 D 4.7099 9.3020 120.1471 52.2541 42.0542 175.4666 77 N 4.6480 9.0377 122.1984 55.8186 39.2370 176.8946 78 A 4.0795 8.2364 120.2780 55.1534 18.4842 178.3893 79 K 4.1024 7.6082 110.8964 55.9017 33.0191 176.4566 80 N 3.1400 7.6846 116.4832 54.1135 36.4781 173.6896 81 T 5.1755 6.9455 112.4457 61.8298 73.5842 174.7064 82 V 5.0681 9.1851 124.5841 61.7181 34.7485 174.5395 83 T 5.1849 9.0119 121.9267 61.8259 73.2100 172.6609 84 L 4.6850 8.3809 127.5985 53.2329 44.4700 174.8769 85 Q 4.3455 8.7602 129.5014 55.2088 30.5482 174.3361 86 M 3.9052 8.2881 127.5969 54.0192 32.9789 176.5169 87 N 4.1940 8.5327 120.9271 55.1233 39.4436 176.4105 88 N 4.8700 7.7752 117.2570 51.5090 37.5996 173.0965 89 L 4.4913 8.5022 121.9971 54.7950 43.3078 176.9325 90 K 4.9033 9.2776 122.5092 53.7339 35.5815 175.5711 91 P 4.6134 0.0000 0.0000 65.8934 31.4264 178.6294 92 E 4.1352 8.1381 116.0749 58.7923 29.5281 177.6660 93 D 4.6494 8.3734 118.4454 56.5656 41.2691 176.6855 94 T 4.2008 7.6912 115.7101 64.8504 69.0267 173.5706 95 A 4.3352 8.4859 126.9499 52.1797 24.4270 173.7368 96 I 4.8205 7.8735 118.3331 60.0746 39.9755 174.3496 97 Y 5.0257 9.5271 128.0043 57.1841 39.6873 174.1299 98 Y 5.3391 9.6358 122.1655 56.5420 41.1087 173.8987 99 C 4.1618 9.0168 122.9046 55.0899 46.9084 172.0382 100 A 4.5509 7.8701 125.6822 49.9933 22.3802 174.6110 101 A 5.4901 8.5296 120.2585 50.8716 23.3973 175.7825 102 V 4.7352 8.8702 118.3861 60.5899 35.3354 174.0306 103 R 3.3744 8.3593 124.5110 54.9491 28.8355 176.1199 104 G 3.9262 7.4009 113.7476 45.8515 0.0000 169.6147 105 Y 4.4662 8.2623 121.1870 56.3434 42.0777 174.7122 106 F 4.6248 6.1374 116.2247 56.3716 40.1135 173.7960 107 M 4.6288 8.2869 118.8775 54.1608 33.0196 175.4582 108 R 4.2728 6.9179 116.4622 53.2962 34.3324 174.5182 109 L 3.6703 8.1032 121.2702 54.7761 42.4177 175.6547 110 P 4.3534 0.0000 0.0000 61.6519 33.2931 174.4218 111 S 5.1128 8.2221 112.4723 56.7343 66.1850 174.5357 112 S 4.2744 9.1076 114.1025 61.8958 62.4992 176.3428 113 H 4.2130 8.2202 116.8929 58.7839 28.6378 176.3145 114 N 4.3637 8.2620 116.2446 55.3405 38.5177 175.4468 115 F 4.7853 7.7066 115.2125 56.2761 40.8628 175.2518 116 R 4.4055 8.7444 122.6006 58.3709 31.1535 175.9221 117 Y 4.7434 8.3657 116.7042 56.6616 39.8237 174.7761 118 W 5.2553 8.8361 121.3618 55.0321 33.5630 174.7984 119 G 4.6770 8.7458 109.2876 44.5970 0.0000 173.7860 120 Q 4.5457 8.8863 116.7430 55.5972 29.1392 177.3496 121 G 3.7091 8.5704 103.3889 45.9317 0.0000 173.2274 122 T 4.6832 8.2549 116.3662 61.3929 72.8899 172.9442 123 Q 4.4985 8.6977 127.3110 55.6769 30.7734 174.3787 124 V 4.7807 9.0170 126.4990 61.4433 34.5150 174.0725 125 T 4.9564 9.0777 125.1505 61.7240 71.3676 173.1208 126 V 5.7420 9.2584 127.2392 60.3743 33.6510 174.8506 127 S 4.8866 8.4368 121.0960 56.1596 66.7255 173.3144 128 S 4.4368 8.6678 118.2059 58.8456 63.4785 174.8623 *129 R 4.1503 8.2963 119.7928 56.4278 29.8986 175.3024 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 V 8.28 5.16 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 -0.06 0.00 0.00 0.81 0.00 0.00 3 Q 8.68 4.65 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 4 L 8.73 5.04 0.00 1.69 1.55 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.62 4.45 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 0.93 0.00 0.00 6 E 8.85 5.25 0.00 2.05 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 2.51 2.37 0.00 7 S 9.41 4.75 0.00 3.74 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 8 G 9.26 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 9 G 8.45 3.58 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 0.00 0.00 0.00 10 G 7.62 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 0.00 0.00 0.00 11 S 8.26 5.33 0.00 3.91 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 12 V 9.35 4.57 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 0.79 0.00 0.00 0.90 0.00 0.00 13 Q 8.58 4.68 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 14 A 8.78 4.21 1.29 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 0.00 0.00 15 G 9.31 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 16 G 7.75 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 5.29 0.00 3.79 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 18 L 7.97 4.21 0.00 1.57 1.17 0.80 0.71 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 R 8.20 4.78 0.00 1.90 1.62 0.00 3.15 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 20 L 8.11 4.35 0.00 0.38 0.86 0.31 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.50 5.28 0.00 3.86 3.69 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 0.00 22 C 9.73 5.60 0.00 2.89 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 23 T 9.19 5.16 4.20 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 1.14 0.00 0.00 24 A 8.30 4.76 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 25 S 9.32 4.50 0.00 3.78 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 26 G 8.89 4.11 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 0.00 0.00 0.00 27 G 7.82 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 28 S 8.54 4.52 0.00 3.86 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 *31 S 7.78 4.30 0.00 3.94 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 32 Y 8.70 4.00 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.28 0.00 4.08 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 34 T 7.91 4.09 4.40 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 1.05 0.00 0.00 35 F 8.67 4.92 0.00 2.44 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 36 S 9.03 4.85 0.00 3.36 2.77 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 0.00 0.00 0.00 37 L 8.99 5.46 0.00 1.64 1.45 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.31 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 39 W 9.42 5.45 0.00 3.41 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 40 F 9.88 5.42 0.00 3.37 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 41 R 8.92 5.09 0.00 0.84 0.88 0.00 2.49 0.00 0.00 2.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 42 Q 8.63 4.75 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 43 A 8.60 4.86 1.29 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 0.00 0.00 44 P 0.00 4.40 0.00 2.07 2.05 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 45 G 9.16 4.39 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 0.00 46 Q 7.03 4.21 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 47 E 8.29 4.27 0.00 1.97 1.92 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 2.30 2.29 0.00 48 R 8.33 4.47 0.00 1.70 1.78 0.00 3.10 0.00 0.00 2.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.03 0.00 49 E 8.75 4.86 0.00 2.07 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 2.19 2.20 0.00 50 A 8.23 3.80 0.68 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 0.00 0.00 51 V 8.45 4.27 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 1.44 0.00 0.00 0.98 0.00 0.00 52 A 7.72 5.06 1.32 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 53 A 8.74 5.21 1.34 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 0.00 0.00 54 I 9.86 4.81 2.01 0.00 0.00 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 1.26 1.45 1.12 0.00 0.00 55 A 9.53 4.02 1.05 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 0.00 0.00 56 S 8.21 4.60 0.00 4.18 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 57 M 7.96 3.41 0.00 2.12 1.80 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 58 G 8.09 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 59 G 7.28 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 60 L 8.39 4.23 0.00 1.82 1.69 1.15 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.23 5.14 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 1.34 0.00 0.00 62 Y 8.21 4.76 0.00 2.87 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 63 Y 8.52 5.10 0.00 2.85 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 64 A 8.99 4.27 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 65 D 9.03 4.28 0.00 2.70 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 66 S 8.03 4.11 0.00 3.89 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 67 V 7.41 3.91 0.67 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 0.01 0.00 0.00 0.91 0.00 0.00 68 K 7.71 3.90 0.00 1.72 1.67 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.29 7.81 69 G 8.77 4.20 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 0.00 70 R 7.73 4.23 0.00 2.14 2.18 0.00 3.28 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 71 F 8.12 4.87 0.00 2.88 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 72 T 9.01 4.62 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 1.29 0.00 0.00 73 I 9.64 5.47 2.12 0.00 0.00 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 1.12 1.68 0.92 0.00 0.00 74 S 8.44 4.92 0.00 3.97 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 75 R 8.36 5.21 0.00 2.01 2.05 0.00 3.06 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 76 D 9.30 4.71 0.00 2.71 2.52 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 77 N 9.04 4.65 0.00 2.85 3.05 0.00 0.00 7.15 7.35 0.00 0.00 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 A 8.24 4.08 1.34 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 0.00 0.00 79 K 7.61 4.10 0.00 1.81 1.77 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.37 7.81 80 N 7.68 3.14 0.00 2.54 2.02 0.00 0.00 6.70 6.43 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 81 T 6.95 5.18 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 1.30 0.00 0.00 82 V 9.19 5.07 2.28 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 1.42 0.00 0.00 1.07 0.00 0.00 83 T 9.01 5.18 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 1.23 0.00 0.00 84 L 8.38 4.69 0.00 0.27 0.26 1.04 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.76 4.35 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 86 M 8.29 3.91 0.00 1.14 1.57 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.00 87 N 8.53 4.19 0.00 2.79 2.84 0.00 0.00 6.83 7.88 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 88 N 7.78 4.87 0.00 2.73 2.76 0.00 0.00 6.98 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 89 L 8.50 4.49 0.00 1.78 1.61 0.85 0.93 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 90 K 9.28 4.90 0.00 1.70 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.62 7.81 91 P 0.00 4.61 0.00 2.19 2.15 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 92 E 8.14 4.14 0.00 1.97 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 2.34 2.29 0.00 93 D 8.37 4.65 0.00 2.91 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 94 T 7.69 4.20 4.39 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 1.33 0.00 0.00 95 A 8.49 4.34 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 96 I 7.87 4.82 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 1.33 1.03 0.00 0.00 97 Y 9.53 5.03 0.00 3.01 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 98 Y 9.64 5.34 0.00 3.26 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 99 C 9.02 4.16 0.00 1.87 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 0.00 100 A 7.87 4.55 -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 0.00 101 A 8.53 5.49 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 0.00 102 V 8.87 4.74 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 0.70 0.00 0.00 0.89 0.00 0.00 103 R 8.36 3.37 0.00 0.86 1.56 0.00 2.73 0.00 0.00 2.98 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.00 104 G 7.40 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 0.00 105 Y 8.26 4.47 0.00 2.67 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 0.00 106 F 6.14 4.62 0.00 2.72 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 0.00 107 M 8.29 4.63 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 108 R 6.92 4.27 0.00 1.48 1.65 0.00 3.08 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 109 L 8.10 3.67 0.00 1.59 1.50 0.78 0.90 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 0.00 110 P 0.00 4.35 0.00 1.93 1.40 0.00 3.39 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 111 S 8.22 5.11 0.00 4.12 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 0.00 112 S 9.11 4.27 0.00 3.88 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 0.00 113 H 8.22 4.21 0.00 3.21 3.44 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.26 4.36 0.00 2.50 2.30 0.00 0.00 6.97 6.96 0.00 0.00 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 F 7.71 4.79 0.00 2.47 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 R 8.74 4.41 0.00 1.79 2.00 0.00 3.13 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 117 Y 8.37 4.74 0.00 2.98 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 0.00 118 W 8.84 5.26 0.00 3.10 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 0.00 119 G 8.75 4.68 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 0.00 0.00 0.00 120 Q 8.89 4.55 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 121 G 8.57 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 0.00 0.00 0.00 0.00 122 T 8.25 4.68 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 1.28 0.00 0.00 123 Q 8.70 4.50 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 124 V 9.02 4.78 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 0.75 0.00 0.00 0.50 0.00 0.00 125 T 9.08 4.96 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 0.00 126 V 9.26 5.74 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 0.81 0.00 0.00 0.95 0.00 0.00 127 S 8.44 4.89 0.00 3.89 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 0.00 128 S 8.67 4.44 0.00 3.91 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 *129 R 8.30 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.