NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3844 8.3044 120.3473 55.1271 33.2943 176.4321 2 K 3.8293 8.9451 115.3613 55.6875 33.7301 173.7766 3 G 3.8754 8.3935 115.1060 43.7845 0.0000 173.0381 4 R 4.3329 8.4179 123.7419 54.5129 30.1227 175.5694 5 Q 3.9460 9.1636 124.5951 55.7144 28.8981 177.7571 6 G 4.3428 7.3441 106.4976 44.8762 0.0000 173.6150 7 Q 4.3624 7.8949 130.1445 55.3829 28.7780 175.4335 8 R 4.5343 8.6055 115.2152 54.8113 31.3536 175.9266 9 V 4.5541 7.9054 119.7788 60.2274 34.3780 174.1694 10 R 4.4471 8.1724 121.9392 54.4002 33.0852 174.0867 11 L 4.7872 8.1248 123.1612 53.3243 43.6577 174.2353 12 Y 4.6384 8.2078 114.7130 55.3282 40.2244 176.2731 13 V 4.6887 7.2555 120.1615 60.7577 33.7293 171.0466 14 R 4.8295 9.2542 124.6954 54.8372 33.8855 173.3890 15 G 4.1911 8.8183 107.8245 46.0515 0.0000 172.0690 16 T 5.0424 8.9926 115.8355 61.4863 72.6595 173.3578 17 I 4.4012 7.5874 124.2665 60.3731 38.4988 175.7643 18 L 4.1778 9.0042 130.3456 56.2994 42.1823 177.8801 19 G 4.3224 7.2077 107.3212 46.1645 0.0000 170.8097 20 Y 5.0515 8.6951 123.3851 55.3314 41.2565 174.4356 21 K 4.5266 8.5937 128.5968 54.8458 34.1898 175.1226 22 R 4.8611 8.7967 125.4135 54.7408 29.7708 175.2738 23 S 4.8928 8.4591 118.5241 56.3818 67.1788 171.3772 24 K 4.2679 8.6938 122.3589 57.0382 31.6190 179.5136 25 S 3.3646 8.2970 117.4239 57.2244 64.2126 170.3759 26 N 4.8542 8.2923 126.0427 52.6766 37.5504 173.0178 27 Q 4.4364 7.9156 120.1665 56.7636 36.4524 175.1142 28 Y 4.5332 6.6233 110.7606 57.0790 38.5301 173.4172 29 E 4.3214 7.6474 120.0295 55.5190 31.2090 174.8160 30 N 4.5797 7.0449 114.7455 52.8768 42.7167 173.6794 31 T 4.6644 8.2932 112.7048 59.8965 72.8352 172.6442 32 S 4.8436 8.6991 116.5434 56.5289 66.3558 172.1148 33 L 5.0494 8.6885 128.5597 53.2008 44.3892 174.6501 34 L 5.1440 8.6387 127.0713 53.2504 45.9271 174.9450 35 Q 4.7397 9.0375 125.9937 54.2352 31.4713 174.5665 36 I 4.2312 8.3519 127.9527 60.5787 38.1032 176.1452 37 E 4.0688 8.9737 123.4442 59.1502 29.5980 177.3219 38 G 3.7414 7.7088 105.0712 47.4902 0.0000 174.9812 39 V 3.0861 6.6665 113.7847 61.3568 35.3196 177.4834 40 N 4.3704 8.2854 114.1180 53.3430 34.3923 174.8633 41 T 3.0979 7.4969 109.1731 62.5918 67.0711 172.0405 42 K 3.6371 8.0309 116.5131 58.7795 33.3484 176.2492 43 E 3.9375 7.8687 118.7640 59.4599 29.2110 179.0809 44 E 2.5400 7.2287 115.3855 58.0995 29.6724 178.6564 45 V 3.7597 7.6549 119.3286 66.0068 31.6505 177.8947 46 G 3.8196 7.6662 104.1466 47.3767 0.0000 175.0185 47 W 4.6029 8.3105 115.8524 57.5852 27.9904 175.8519 48 Y 5.0025 7.6801 119.9406 59.0270 40.5919 173.7107 49 A 3.9719 7.6506 122.3511 54.6892 18.0054 175.7704 50 G 3.0031 7.9443 117.1584 46.4158 0.0000 172.1051 51 K 4.2898 7.4190 121.6376 55.1960 34.6184 175.9552 52 R 4.7368 8.4571 125.8601 54.7551 32.0500 175.3439 53 I 4.4700 8.4499 123.8659 59.4139 40.0042 173.6574 54 A 5.5632 8.4201 131.1292 50.3655 20.7515 174.9457 55 Y 5.1122 9.1854 121.9270 55.1881 40.7919 176.0219 56 V 4.2560 8.6922 121.8876 61.3896 32.7696 175.5378 57 Y 4.0836 8.6510 125.8022 56.0467 38.3425 175.2124 *58 K 4.6801 7.6292 125.4250 51.5385 35.6489 174.7676 59 A 4.2034 8.4811 125.4684 53.3358 19.2674 179.4946 *60 K 4.7084 8.1060 127.1126 53.1389 32.6083 174.1003 *61 T 4.9017 7.5180 115.3512 61.7963 71.8284 176.0052 *62 K 4.1160 8.2749 127.8707 55.8417 31.9528 178.9654 *63 S 4.3272 8.6297 114.9275 60.2677 62.2414 170.1355 *64 N 4.8761 8.5655 125.0887 49.9244 40.0984 171.6016 *65 D 4.6017 8.3768 114.9879 53.8655 38.5318 174.3080 66 S 4.5576 8.3181 122.2917 57.1870 61.7833 173.8045 67 T 4.6924 8.1155 118.3167 60.0873 71.0408 173.6466 68 I 4.1387 8.0804 125.1892 60.4686 36.9514 177.1500 69 R 4.3774 7.5493 120.3335 54.7032 31.2637 173.3206 70 C 4.6829 8.6409 125.5464 58.0150 32.9701 172.2957 71 I 4.5638 8.1877 126.9441 58.8358 40.2905 174.1285 72 W 5.5554 8.4193 125.2055 55.1359 30.3077 174.5591 73 G 3.9134 8.6386 115.2901 45.1248 0.0000 172.2439 74 K 4.8322 7.5133 121.2808 54.8074 36.4434 176.6168 75 V 4.0975 8.3241 126.5648 62.8044 31.5482 175.8087 76 T 4.0015 8.4863 123.5695 64.2907 67.7225 174.0243 77 R 4.6631 7.2734 119.2399 54.5345 33.5105 171.5823 78 P 4.7312 0.0000 0.0000 62.9248 32.4144 175.9241 79 H 4.5608 9.0037 119.6475 57.6144 31.2414 172.8271 80 G 4.0179 10.2174 114.1445 45.5898 0.0000 175.3992 *81 N 4.3483 8.6109 117.7673 54.6164 37.1298 180.6733 *82 S 4.8510 7.9597 110.8830 54.4159 64.8653 175.4081 83 G 4.2123 8.2061 120.2702 44.2729 0.0000 174.7931 84 V 3.9726 8.6131 123.7471 63.4576 33.0997 173.8765 85 V 4.7043 8.6738 117.7008 59.7408 36.4513 174.5105 86 R 4.7030 8.9306 123.0717 55.9473 31.8284 174.9952 87 A 4.9393 8.6732 124.8611 50.7164 23.2880 174.7782 88 K 4.9636 8.0744 119.4327 55.0348 36.2108 175.2939 89 F 4.9516 8.8718 122.5848 55.7728 42.8104 175.0951 90 R 4.2803 8.6775 119.9758 58.3283 30.3334 177.9501 91 S 4.0293 7.8749 111.9740 58.8552 62.7007 173.1207 92 N 4.7813 8.1618 116.1394 53.1035 37.5254 173.8903 93 L 4.1503 7.7034 120.6404 52.9780 43.1156 175.1799 94 P 4.3551 0.0000 0.0000 61.6148 32.1978 173.7684 95 P 4.2934 0.0000 0.0000 63.6781 31.8280 176.2747 96 T 3.3169 8.1336 118.7445 63.1343 65.1701 171.3282 97 S 4.6489 7.3793 111.9205 58.1233 63.1008 173.1860 98 M 4.0306 7.6597 118.4106 55.9256 31.6600 174.5670 99 G 4.1060 9.0506 117.4264 45.1052 0.0000 172.9939 100 K 4.1996 7.2885 120.4594 52.6106 33.4627 176.4925 101 K 4.2650 8.2568 122.1274 56.6595 32.8011 176.8747 102 V 4.4561 8.6638 118.3185 60.3149 33.5892 175.3067 103 R 5.1391 8.5202 118.7046 54.9054 33.8316 175.5285 104 V 4.0783 8.3891 112.0499 61.6797 32.0170 175.9638 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 1 M 8.30 4.38 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 8.95 3.83 0.00 1.83 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.49 7.81 3 G 8.39 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 4 R 8.42 4.33 0.00 1.91 1.97 0.00 3.01 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 5 Q 9.16 3.95 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 6 G 7.34 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 0.00 0.00 0.00 7 Q 7.89 4.36 0.00 1.86 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 8 R 8.61 4.53 0.00 1.96 1.87 0.00 3.80 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 9 V 7.91 4.55 2.19 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 0.71 0.00 0.00 1.05 0.00 0.00 10 R 8.17 4.45 0.00 1.24 0.66 0.00 3.01 0.00 0.00 2.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.42 0.00 11 L 8.12 4.79 0.00 1.66 1.76 0.93 0.81 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 12 Y 8.21 4.64 0.00 3.01 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 13 V 7.26 4.69 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 0.82 0.00 0.00 0.75 0.00 0.00 14 R 9.25 4.83 0.00 1.76 2.14 0.00 3.29 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 15 G 8.82 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 0.00 0.00 0.00 16 T 8.99 5.04 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 1.23 0.00 0.00 17 I 7.59 4.40 1.94 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 1.03 0.89 0.00 0.00 18 L 9.00 4.18 0.00 1.77 1.72 0.93 0.74 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 19 G 7.21 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 0.00 0.00 0.00 0.00 20 Y 8.70 5.05 0.00 2.90 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 21 K 8.59 4.53 0.00 1.77 1.55 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.46 7.81 22 R 8.80 4.86 0.00 1.96 2.42 0.00 3.45 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 23 S 8.46 4.89 0.00 3.79 3.78 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 24 K 8.69 4.27 0.00 1.76 1.42 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.42 7.81 25 S 8.30 3.36 0.00 3.93 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 26 N 8.29 4.85 0.00 2.67 2.69 0.00 0.00 6.85 7.08 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 27 Q 7.92 4.44 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.73 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 28 Y 6.62 4.53 0.00 2.99 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 29 E 7.65 4.32 0.00 1.94 1.83 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 2.22 2.32 0.00 30 N 7.04 4.58 0.00 2.60 2.55 0.00 0.00 6.65 7.54 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 31 T 8.29 4.66 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 1.12 0.00 0.00 32 S 8.70 4.84 0.00 4.16 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 33 L 8.69 5.05 0.00 1.82 1.50 0.97 0.37 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 34 L 8.64 5.14 0.00 1.87 1.63 1.08 0.41 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 35 Q 9.04 4.74 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 36 I 8.35 4.23 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.83 0.00 0.00 37 E 8.97 4.07 0.00 2.05 2.07 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 2.22 2.28 0.00 38 G 7.71 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 0.00 0.00 0.00 39 V 6.67 3.09 1.63 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 0.31 0.00 0.00 0.49 0.00 0.00 40 N 8.29 4.37 0.00 2.82 2.76 0.00 0.00 5.58 7.22 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 41 T 7.50 3.10 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 1.09 0.00 0.00 42 K 8.03 3.64 0.00 1.85 1.85 0.00 1.76 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.40 7.81 43 E 7.87 3.94 0.00 1.70 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 2.53 2.40 0.00 44 E 7.23 2.54 0.00 1.16 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 0.00 0.00 0.00 1.90 1.99 0.00 45 V 7.65 3.76 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 0.80 0.00 0.00 0.92 0.00 0.00 46 G 7.67 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 47 W 8.31 4.60 0.00 3.26 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 5.00 0.00 2.87 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 49 A 7.65 3.97 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 50 G 7.94 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 0.00 0.00 0.00 51 K 7.42 4.29 0.00 1.93 1.68 0.00 1.85 0.00 0.00 2.02 0.00 0.00 3.28 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.58 7.81 52 R 8.46 4.74 0.00 1.72 1.87 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 53 I 8.45 4.47 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 1.09 0.00 0.00 54 A 8.42 5.56 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 55 Y 9.19 5.11 0.00 2.87 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 56 V 8.69 4.26 2.19 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 0.77 0.00 0.00 1.03 0.00 0.00 57 Y 8.65 4.08 0.00 3.18 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 *58 K 7.63 4.68 0.00 1.77 1.51 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 0.96 7.81 59 A 8.48 4.20 1.25 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 0.00 0.00 *60 K 8.11 4.71 0.00 1.73 1.58 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.99 7.81 *61 T 7.52 4.90 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 *62 K 8.27 4.12 0.00 1.77 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.02 7.81 *63 S 8.63 4.33 0.00 3.62 3.70 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 *64 N 8.57 4.88 0.00 2.71 2.63 0.00 0.00 6.81 8.06 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 *65 D 8.38 4.60 0.00 2.69 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 66 S 8.32 4.56 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 67 T 8.12 4.69 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 1.30 0.00 0.00 68 I 8.08 4.14 1.91 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 1.35 1.03 0.93 0.00 0.00 69 R 7.55 4.38 0.00 1.66 1.67 0.00 3.22 0.00 0.00 3.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.00 70 C 8.64 4.68 0.00 3.15 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 71 I 8.19 4.56 1.65 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 1.36 1.41 0.13 0.00 0.00 72 W 8.42 5.56 0.00 3.24 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 73 G 8.64 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 74 K 7.51 4.83 0.00 1.77 1.51 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.33 7.81 75 V 8.32 4.10 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 0.76 0.00 0.00 0.99 0.00 0.00 76 T 8.49 4.00 4.22 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 1.21 0.00 0.00 77 R 7.27 4.66 0.00 1.92 1.75 0.00 3.24 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 78 P 0.00 4.73 0.00 1.95 2.00 0.00 3.66 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 2.01 2.11 0.00 79 H 9.00 4.56 0.00 2.94 3.18 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 10.22 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 0.00 0.00 0.00 *81 N 8.61 4.35 0.00 2.90 2.80 0.00 0.00 6.32 7.64 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 *82 S 7.96 4.85 0.00 3.56 3.63 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 83 G 8.21 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 84 V 8.61 3.97 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 1.09 0.00 0.00 0.93 0.00 0.00 85 V 8.67 4.70 2.21 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 0.86 0.00 0.00 0.95 0.00 0.00 86 R 8.93 4.70 0.00 1.87 1.94 0.00 3.01 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 87 A 8.67 4.94 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 88 K 8.07 4.96 0.00 1.92 1.53 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.38 7.81 89 F 8.87 4.95 0.00 3.13 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 90 R 8.68 4.28 0.00 1.86 2.01 0.00 2.94 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 91 S 7.87 4.03 0.00 3.73 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 92 N 8.16 4.78 0.00 2.93 2.91 0.00 0.00 6.93 7.85 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 93 L 7.70 4.15 0.00 1.17 1.33 0.23 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.36 0.00 2.17 1.94 0.00 3.52 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.54 0.00 95 P 0.00 4.29 0.00 2.17 2.07 0.00 4.01 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 96 T 8.13 3.32 4.22 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 1.20 0.00 0.00 97 S 7.38 4.65 0.00 3.95 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 98 M 7.66 4.03 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 99 G 9.05 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 0.00 100 K 7.29 4.20 0.00 1.40 1.50 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.41 7.81 101 K 8.26 4.26 0.00 1.58 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 102 V 8.66 4.46 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 0.66 0.00 0.00 1.04 0.00 0.00 103 R 8.52 5.14 0.00 2.01 2.02 0.00 2.99 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 104 V 8.39 4.08 2.25 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 0.97 0.00 0.00 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.