NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4060 8.2649 123.5904 52.2708 19.7582 177.0305 3 T 3.8116 8.7371 120.4915 64.6037 68.7959 172.6485 4 L 4.8047 7.6415 123.1211 54.0759 42.4721 174.2867 5 H 5.0206 8.6388 119.3673 54.0246 31.0381 173.8532 6 S 4.9134 8.7425 117.3963 59.4291 63.4062 173.5850 7 F 5.0009 8.9247 117.1681 55.5470 41.6251 173.3929 8 V 4.0216 8.4643 120.8210 62.9274 31.2059 175.1935 9 L 4.3219 8.6180 131.2574 56.4246 43.2728 176.7912 10 V 4.2772 7.4171 118.8524 60.9009 34.2486 173.9938 11 D 5.1408 8.7943 127.6948 52.9977 41.8453 174.8600 12 N 4.6474 9.1990 123.8583 53.1463 38.8130 176.1606 13 G 3.9066 7.5340 106.7793 44.9311 0.0000 173.1344 14 G 3.5038 8.0051 112.5966 45.4180 0.0000 174.7552 15 T 4.2626 7.5471 120.4620 65.4203 68.5552 173.7347 16 G 4.2061 8.7743 116.3151 45.2540 0.0000 172.0318 17 N 4.6465 8.0165 116.1992 52.8242 39.6077 174.6038 18 V 4.1696 8.7038 122.7995 61.3371 33.6341 174.2638 19 T 4.8620 8.2842 123.9747 61.7865 71.3994 173.2167 20 V 4.6478 8.3247 120.1968 59.6845 34.0429 175.2524 21 V 4.8096 8.2272 118.4070 58.7431 34.5925 173.5400 22 P 4.4776 0.0000 0.0000 62.8982 31.2861 176.5326 23 V 4.3801 8.4791 116.5517 60.8677 33.5919 175.3569 24 S 4.4455 7.4927 113.1463 57.7607 65.5545 175.6070 25 N 5.3249 8.7440 118.9801 54.0692 40.4676 173.9878 26 A 3.7968 8.4026 120.7920 54.1163 18.9371 178.8782 27 N 4.2714 9.3147 122.6523 54.3125 36.5974 173.9470 28 G 4.2110 8.3428 113.4497 47.1179 0.0000 174.4829 29 V 4.0687 7.9233 121.5713 62.2114 32.6861 174.5597 30 A 4.7425 9.3626 130.7822 50.8692 20.7211 175.6506 31 E 5.1516 8.6390 121.6631 54.3736 33.4159 175.1515 32 W 5.1665 9.3129 124.1323 55.2700 33.0689 174.7177 33 L 4.7911 8.6660 122.0323 54.1282 45.4315 174.6370 34 S 4.6950 8.6965 121.4661 57.6108 64.0273 174.7622 35 N 4.6692 8.5385 120.9455 52.8206 36.9601 173.4554 36 N 4.9589 7.6847 117.7371 51.7515 43.1093 173.3907 37 S 4.7193 8.6008 112.3649 57.9381 64.4644 175.9112 38 R 3.4169 7.2909 119.1299 58.0775 31.1547 177.9444 39 S 4.0204 7.9329 114.5094 61.2361 62.5168 175.3651 40 Q 4.3638 8.6226 117.7988 55.4601 29.3231 174.8196 41 A 4.5205 7.7776 119.9587 52.2797 19.9727 176.6062 42 Y 4.5825 8.9009 119.6413 57.4564 39.6571 175.0687 43 R 5.1457 9.2441 122.1791 54.6065 34.6199 174.8603 44 V 5.1393 8.3712 119.7528 62.1510 35.3930 173.6194 45 T 5.5363 9.2592 123.5510 62.1110 72.9090 172.8338 46 A 5.4189 9.2072 125.8756 51.0270 23.1973 175.3773 47 S 5.1564 9.2122 115.7590 56.9483 67.4107 172.6476 48 Y 5.1084 8.3832 121.2514 56.6790 41.0727 173.6384 49 R 4.4643 8.9576 122.8579 54.8444 33.9343 173.0372 50 A 4.8381 8.2602 120.1586 50.5676 20.6433 176.9784 51 S 4.2850 9.0575 119.6691 57.2146 63.9513 174.5132 52 G 3.7939 8.5582 117.2311 46.3030 0.0000 172.9207 53 A 4.1496 8.7797 122.0308 54.4520 19.2002 177.9399 54 D 4.9576 7.9739 112.5515 53.1997 40.9986 176.0223 55 K 5.0785 7.9223 117.8763 55.3753 37.3932 175.0267 56 R 4.8899 9.2209 120.5555 54.3319 33.2510 175.1050 57 K 5.1150 9.4906 124.4203 54.9169 35.6983 174.2929 58 Y 5.4352 8.6968 122.3611 56.6650 42.1842 174.5314 59 T 5.1038 8.9192 120.3339 62.1534 71.5833 172.8892 60 I 5.2044 8.9274 127.9519 59.4934 40.6585 175.3079 61 K 5.1699 9.1525 124.0561 54.8476 36.7792 175.0740 62 L 5.3591 8.8225 125.2933 53.3313 46.0021 174.8454 63 E 5.0102 9.1404 124.5694 54.4165 33.1288 174.9662 64 V 4.1182 8.0408 124.0825 58.9558 34.1068 173.6861 65 P 4.7755 0.0000 0.0000 61.6885 33.1578 174.6009 66 K 3.9336 7.4601 121.5080 55.3583 33.3763 174.8960 67 I 3.1198 9.3565 122.2514 64.6231 38.3035 180.0424 68 V 3.1473 6.5625 115.5517 60.9835 36.2363 176.8444 *76 E 4.4440 9.1106 114.1659 55.6961 31.3065 175.9037 77 L 4.9018 7.4617 114.7453 54.0700 40.3851 174.4086 78 P 4.4202 0.0000 0.0000 65.9186 31.9500 178.6857 79 V 4.4605 7.4630 111.1273 60.8479 33.1280 175.2762 80 S 4.1785 8.1210 114.8442 58.5095 62.7663 173.9889 81 A 4.4637 8.3520 129.1189 50.9890 17.5617 177.3995 82 W 4.6506 8.2858 135.0000 56.4798 29.7479 174.7118 83 K 5.1908 7.6716 118.2241 54.4547 36.3410 176.5719 84 A 4.7506 8.7452 123.9763 50.7336 21.3190 175.6425 85 Y 5.1295 8.6258 118.0624 56.1099 41.0487 175.0579 86 A 4.9284 8.9497 124.7140 50.3176 23.0224 174.9758 87 S 5.0216 8.5716 114.1671 57.0723 65.5281 173.1866 88 I 4.6508 9.2130 128.0990 59.6592 40.5900 174.3852 89 D 5.8500 9.1752 125.7731 51.4580 43.0625 174.5398 90 L 4.6135 8.5628 124.5699 54.4628 42.5183 175.6893 91 T 4.9294 8.6490 121.6797 62.0774 69.8557 174.1531 92 I 4.7937 8.6727 128.2538 58.4357 40.3466 173.8898 93 P 4.9622 0.0000 0.0000 62.3596 32.1675 176.2163 94 I 4.0147 8.2719 116.6806 61.2204 37.9216 175.2881 95 F 5.0445 8.0108 118.8108 54.4047 41.2825 174.3257 96 A 4.1206 8.5814 124.1432 51.8431 18.8185 178.6314 97 A 4.0552 8.7517 124.7774 55.3728 18.4439 179.0936 98 T 4.2217 7.8399 104.0085 63.4046 69.5827 175.0780 99 D 4.5099 8.1542 122.1771 54.1324 41.4147 174.9311 100 D 4.7863 8.3960 121.0567 52.8346 42.1971 175.9986 101 V 4.1897 8.0036 124.9370 62.4156 32.2901 176.9097 102 T 3.8714 7.9300 111.4062 64.1482 68.0891 175.7137 103 V 3.4718 7.7741 121.1831 66.2984 31.3958 177.3550 104 I 3.6335 7.3425 117.2587 64.3563 37.6870 178.0233 105 S 4.0784 7.9035 115.2898 61.6099 62.5387 176.7129 106 K 3.9765 8.0876 120.9362 59.1640 31.5646 179.4300 107 S 4.2138 7.9816 115.5935 60.8684 62.5741 176.6033 108 L 4.0269 7.7661 121.9618 58.0193 41.0969 179.2470 109 T 4.2744 8.3401 112.9855 64.5325 67.0434 176.5680 110 G 3.4646 7.4997 106.9572 47.0410 0.0000 175.5011 111 L 3.8510 7.1671 122.0795 57.8798 42.1539 177.7158 112 F 4.7870 6.9655 112.9662 57.0490 39.2700 175.9802 113 K 4.0858 7.4577 123.6375 56.0390 32.4956 176.3793 114 V 3.8768 8.2334 126.1431 64.2532 31.8468 175.8710 115 G 4.0552 9.1985 115.0701 45.4226 0.0000 173.0343 116 N 4.9542 7.8343 116.7135 50.5369 41.9117 173.7261 117 P 4.2585 0.0000 0.0000 66.4067 31.6562 179.0684 118 I 4.1558 7.8653 117.4233 64.3708 36.7539 178.3061 119 A 4.1375 7.9957 121.3148 55.1882 18.0937 179.1717 120 E 3.7406 8.6635 118.0824 59.2620 29.5551 178.9195 121 A 3.9019 8.0625 121.0136 55.0434 18.1254 179.7088 122 I 3.7609 7.5477 117.0560 64.3257 37.1879 178.3358 123 S 4.3935 7.5449 114.9195 60.5017 62.9458 175.7267 124 S 4.5012 7.5733 114.1607 57.5476 63.0989 174.0683 125 Q 3.5805 7.9367 120.9727 57.0828 27.0795 172.7490 126 S 4.8017 7.6673 110.9514 56.3486 65.4928 174.2782 127 G 4.0095 8.1489 110.7086 44.3067 0.0000 172.5259 128 F 4.3742 8.7030 120.3825 55.8976 39.6578 174.5619 129 Y 4.8861 7.5082 122.7920 54.8918 40.8695 175.5700 130 A 4.3532 8.6867 122.2803 52.4902 19.2324 177.2611 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 A 8.26 4.41 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 3 T 8.74 3.81 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 1.25 0.00 0.00 4 L 7.64 4.80 0.00 1.63 1.65 0.42 0.89 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 5 H 8.64 5.02 0.00 3.33 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.74 4.91 0.00 3.89 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 7 F 8.92 5.00 0.00 2.93 2.98 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 8 V 8.46 4.02 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 0.74 0.00 0.00 0.92 0.00 0.00 9 L 8.62 4.32 0.00 1.12 1.31 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.42 4.28 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 0.87 0.00 0.00 0.79 0.00 0.00 11 D 8.79 5.14 0.00 2.61 2.53 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 12 N 9.20 4.65 0.00 2.72 2.80 0.00 0.00 7.31 7.17 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 13 G 7.53 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 14 G 8.01 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.55 4.26 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 1.20 0.00 0.00 16 G 8.77 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 17 N 8.02 4.65 0.00 2.55 2.69 0.00 0.00 6.86 7.68 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 18 V 8.70 4.17 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 0.22 0.00 0.00 0.65 0.00 0.00 19 T 8.28 4.86 4.17 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 1.20 0.00 0.00 20 V 8.32 4.65 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 0.54 0.00 0.00 -0.16 0.00 0.00 21 V 8.23 4.81 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 0.78 0.00 0.00 1.01 0.00 0.00 22 P 0.00 4.48 0.00 1.82 1.61 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 23 V 8.48 4.38 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 0.68 0.00 0.00 0.93 0.00 0.00 24 S 7.49 4.45 0.00 3.78 3.55 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 25 N 8.74 5.32 0.00 2.55 2.63 0.00 0.00 7.29 7.96 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 26 A 8.40 3.80 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 27 N 9.31 4.27 0.00 2.92 3.11 0.00 0.00 6.45 7.00 0.00 0.00 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 G 8.34 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 29 V 7.92 4.07 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 0.94 0.00 0.00 0.97 0.00 0.00 30 A 9.36 4.74 1.13 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 31 E 8.64 5.15 0.00 1.78 1.76 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 2.28 2.27 0.00 32 W 9.31 5.17 0.00 3.34 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 33 L 8.67 4.79 0.00 1.79 1.49 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.70 4.69 0.00 3.93 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 35 N 8.54 4.67 0.00 2.70 2.79 0.00 0.00 6.80 7.79 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 36 N 7.68 4.96 0.00 2.73 2.71 0.00 0.00 7.15 7.57 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 37 S 8.60 4.72 0.00 4.00 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 38 R 7.29 3.42 0.00 1.91 1.89 0.00 3.35 0.00 0.00 3.29 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 39 S 7.93 4.02 0.00 3.84 3.95 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 40 Q 8.62 4.36 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 41 A 7.78 4.52 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 42 Y 8.90 4.58 0.00 2.85 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 43 R 9.24 5.15 0.00 1.65 1.84 0.00 3.36 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 44 V 8.37 5.14 2.37 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 1.06 0.00 0.00 0.95 0.00 0.00 45 T 9.26 5.54 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 1.31 0.00 0.00 46 A 9.21 5.42 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 0.00 0.00 0.00 0.00 0.00 47 S 9.21 5.16 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 48 Y 8.38 5.11 0.00 2.82 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 49 R 8.96 4.46 0.00 1.69 1.88 0.00 2.78 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 50 A 8.26 4.84 1.10 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 0.00 0.00 0.00 0.00 0.00 51 S 9.06 4.28 0.00 3.71 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 52 G 8.56 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 53 A 8.78 4.15 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 54 D 7.97 4.96 0.00 2.72 2.88 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 55 K 7.92 5.08 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 56 R 9.22 4.89 0.00 1.71 1.57 0.00 2.99 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 57 K 9.49 5.11 0.00 1.57 1.60 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.54 7.81 58 Y 8.70 5.44 0.00 3.04 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 59 T 8.92 5.10 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 60 I 8.93 5.20 1.90 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 1.27 0.81 0.92 0.00 0.00 61 K 9.15 5.17 0.00 1.74 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 62 L 8.82 5.36 0.00 1.77 1.45 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.14 5.01 0.00 1.81 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 2.09 2.25 0.00 64 V 8.04 4.12 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 0.84 0.00 0.00 0.79 0.00 0.00 65 P 0.00 4.78 0.00 1.90 1.89 0.00 2.20 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 66 K 7.46 3.93 0.00 0.89 0.79 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.81 1.08 7.81 67 I 9.36 3.12 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.85 0.00 0.00 68 V 6.56 3.15 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 0.29 0.00 0.00 0.81 0.00 0.00 *76 E 9.11 4.44 0.00 2.05 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 2.24 2.29 0.00 77 L 7.46 4.90 0.00 1.77 1.74 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.42 0.00 2.08 2.16 0.00 3.65 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 2.04 2.09 0.00 79 V 7.46 4.46 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 0.75 0.00 0.00 0.95 0.00 0.00 80 S 8.12 4.18 0.00 3.89 3.95 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 81 A 8.35 4.46 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 82 W 8.29 4.65 0.00 3.32 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 83 K 7.67 5.19 0.00 0.99 1.36 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.32 7.81 84 A 8.75 4.75 1.22 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 0.00 0.00 85 Y 8.63 5.13 0.00 2.84 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 86 A 8.95 4.93 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.57 5.02 0.00 3.89 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 88 I 9.21 4.65 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.96 0.00 0.00 89 D 9.18 5.85 0.00 2.54 2.65 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 90 L 8.56 4.61 0.00 1.78 1.89 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.65 4.93 4.29 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 1.25 0.00 0.00 92 I 8.67 4.79 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 1.09 0.00 0.00 93 P 0.00 4.96 0.00 2.15 2.10 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 94 I 8.27 4.01 1.82 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 1.41 0.61 0.86 0.00 0.00 95 F 8.01 5.04 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 96 A 8.58 4.12 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.75 4.06 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 98 T 7.84 4.22 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 1.24 0.00 0.00 99 D 8.15 4.51 0.00 3.11 2.55 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 0.00 100 D 8.40 4.79 0.00 2.57 2.50 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 0.00 0.00 0.00 0.00 101 V 8.00 4.19 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 0.81 0.00 0.00 -0.26 0.00 0.00 102 T 7.93 3.87 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 0.00 103 V 7.77 3.47 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 0.98 0.00 0.00 0.87 0.00 0.00 104 I 7.34 3.63 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 0.91 0.00 0.00 105 S 7.90 4.08 0.00 4.01 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 0.00 106 K 8.09 3.98 0.00 1.93 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.69 7.81 107 S 7.98 4.21 0.00 4.10 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 0.00 108 L 7.77 4.03 0.00 1.98 1.80 0.92 0.70 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 0.00 109 T 8.34 4.27 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 1.26 0.00 0.00 110 G 7.50 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 0.00 0.00 0.00 111 L 7.17 3.85 0.00 1.48 0.79 0.69 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 112 F 6.97 4.79 0.00 3.17 3.05 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 0.00 113 K 7.46 4.09 0.00 1.78 1.68 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 114 V 8.23 3.88 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 0.85 0.00 0.00 0.97 0.00 0.00 115 G 9.20 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 0.00 0.00 0.00 116 N 7.83 4.95 0.00 3.13 2.70 0.00 0.00 6.95 8.20 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 0.00 117 P 0.00 4.26 0.00 2.20 2.22 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 118 I 7.87 4.16 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.13 0.99 0.00 0.00 119 A 8.00 4.14 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 3.74 0.00 2.11 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 2.27 2.32 0.00 121 A 8.06 3.90 0.86 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 0.00 122 I 7.55 3.76 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 0.98 0.00 0.00 123 S 7.54 4.39 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 0.00 124 S 7.57 4.50 0.00 3.89 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 0.00 125 Q 7.94 3.58 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 126 S 7.67 4.80 0.00 3.85 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 0.00 127 G 8.15 4.01 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 0.00 0.00 0.00 128 F 8.70 4.37 0.00 3.01 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 0.00 129 Y 7.51 4.89 0.00 2.99 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 0.00 130 A 8.69 4.35 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 * Residues marked with a * may have inaccurate shift predictions.