NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4452 8.3349 115.4147 58.0472 63.1335 172.3030 3 N 4.5617 8.5824 124.2008 53.3965 43.0957 173.0463 4 T 4.6861 9.0636 116.5404 62.7847 73.5765 172.7761 5 L 4.6121 8.9629 125.0845 55.8668 43.8655 176.1763 6 F 5.2797 7.7111 119.0053 56.7596 43.3969 172.7392 7 D 4.6148 6.0500 119.9249 52.6617 43.9554 174.0956 8 D 4.5255 7.4254 126.0415 54.2598 46.0496 174.8110 9 I 5.0785 7.5154 124.1645 59.8584 39.6422 174.8093 10 F 5.0992 9.8118 125.6060 55.9148 42.7410 174.5512 11 Q 4.8604 9.2905 122.4531 54.1315 30.2073 173.5785 12 V 4.2715 8.8441 125.1488 62.4596 30.5592 176.0209 13 S 4.0694 8.6797 122.7706 60.8573 63.7312 174.3524 14 E 4.7464 7.9246 118.9950 54.6895 33.2730 174.4279 15 V 4.6881 8.2637 123.9723 61.3106 34.2653 173.9706 16 D 4.8395 8.9266 129.7379 52.5536 41.6294 175.3853 17 P 4.3462 0.0000 0.0000 64.5429 32.2123 177.8642 18 G 3.5060 8.5705 102.9215 46.7353 0.0000 175.7683 19 R 3.3782 8.3001 125.2212 56.9810 29.1345 176.4966 20 Y 4.7009 8.0582 115.0097 56.9819 39.3780 174.7958 21 N 4.9941 8.7440 114.7430 53.2296 41.3728 175.5726 22 K 4.6424 8.1619 114.4864 55.8900 34.3681 175.9556 23 V 5.0181 7.7639 119.4346 61.2556 34.4829 174.2642 24 C 5.1559 9.1525 123.7565 58.0907 33.0872 173.2945 25 R 4.8045 9.0889 123.3370 55.2090 30.9071 174.8672 26 I 4.6503 9.5117 129.5513 60.2472 38.8592 175.3158 27 E 5.1637 9.1707 128.9055 53.5951 29.3544 173.8400 28 A 4.6668 7.9815 124.6907 51.1828 20.7378 177.5367 29 A 4.8493 9.2533 124.1614 51.5742 20.8701 175.7426 30 S 4.4894 8.2981 112.9292 56.6441 64.2034 174.0069 31 T 3.6179 7.7962 123.8494 66.8144 68.5592 172.0147 32 T 3.4957 9.3430 126.3020 62.4312 64.4393 172.5639 33 Q 4.4395 8.6511 122.4123 55.2082 30.7706 176.9037 34 D 4.1732 8.6707 122.6318 57.2107 41.3452 178.0061 35 Q 4.0664 8.1699 117.5807 59.0178 28.8865 176.1717 36 C 5.1172 7.4257 117.6061 59.5640 31.8575 172.5507 37 K 5.0150 8.7648 124.1368 54.7128 36.9613 174.7953 38 L 4.7747 8.6836 122.3470 53.8859 45.8443 174.9376 39 T 5.1063 8.2717 120.7049 61.6911 71.6477 172.7667 40 L 5.0552 9.1104 127.8848 53.7633 46.1063 174.0194 41 D 5.1685 8.7599 125.9762 53.3118 42.2747 176.1246 42 I 4.6392 8.7036 123.2989 59.4487 42.0216 174.8499 43 N 4.9655 9.7035 125.5177 52.9663 37.5773 175.3111 44 V 3.9185 8.7169 125.7564 65.8112 31.8953 178.2162 45 E 4.0242 7.7755 116.8818 58.9836 29.3208 177.8703 46 L 4.3984 7.6239 116.0645 54.7185 42.3243 176.6381 47 F 4.6176 7.7320 114.8553 56.5654 41.4230 171.0515 48 P 4.4902 0.0000 0.0000 62.4106 31.9510 176.2341 49 V 4.4251 8.2452 119.4778 61.1320 34.4291 174.4580 50 A 4.8120 8.9825 129.0822 49.6283 21.7213 175.4789 51 A 4.2408 8.3590 122.4165 53.7055 18.9139 178.0290 52 Q 3.6045 9.3480 118.7638 56.5908 27.2924 173.7185 53 D 4.9258 7.6509 119.7050 54.0900 42.7545 175.0684 54 S 5.9173 8.3558 112.9074 56.2042 65.8890 173.4753 55 L 4.8530 8.5847 123.1596 53.0160 45.2257 175.7270 56 T 4.4317 8.4627 121.5525 63.6540 67.9065 174.2310 57 V 4.3232 9.7800 130.0938 61.6267 32.7325 173.7245 58 T 4.6853 8.4074 124.8999 62.2929 69.6503 175.3142 59 I 3.8583 8.7261 128.7957 62.2010 37.0129 178.5159 60 A 3.8678 8.0764 124.8960 52.1936 18.0288 176.9314 61 S 5.0804 7.6869 108.0293 57.0268 63.0978 175.0995 62 S 4.2898 8.3063 113.2098 59.4737 65.2848 175.9797 63 L 3.3146 8.2007 118.4417 56.2831 38.3661 175.6940 *76 T 4.2032 7.4205 112.6361 62.0768 70.7797 173.9898 77 R 3.9522 8.0849 124.2817 54.7355 29.6103 175.8442 78 S 4.4272 8.4678 113.7145 58.3660 63.6341 173.1328 79 W 4.8357 8.5909 130.1916 55.6301 32.3530 175.0914 80 R 4.1835 7.1505 122.5219 53.4069 31.5909 173.1670 81 P 3.7495 0.0000 0.0000 62.3915 32.4409 178.5389 82 P 4.6483 0.0000 0.0000 62.1441 31.6938 177.1842 83 Q 3.7310 8.8825 116.8856 57.2000 27.3556 174.9594 84 A 4.2647 7.5565 117.4776 52.7730 19.0016 178.6594 85 G 3.7592 7.7305 103.9531 46.4994 0.0000 174.4869 86 D 4.5981 7.4108 117.8116 55.1684 43.1625 176.9795 87 R 4.2025 7.6186 113.7521 56.2193 31.0702 178.5064 88 S 4.4273 9.0516 119.2419 58.9230 62.9408 177.0814 89 L 4.2912 7.4884 121.2221 55.3877 39.8874 178.5825 90 A 4.1898 7.7288 117.5951 53.3163 19.3175 178.6758 91 D 5.0140 7.7728 119.4100 52.6965 38.0105 177.1508 92 D 4.3855 7.9848 116.9850 55.5327 40.8020 175.6127 93 Y 4.8982 7.8835 116.5016 56.5731 41.6103 175.1293 94 D 4.7948 8.7838 119.8706 56.8946 41.6805 176.7968 95 Y 4.0460 7.8596 119.4935 57.3238 40.0341 174.2159 96 V 5.5002 7.9837 125.7031 61.0226 32.1608 174.0982 97 M 4.5140 8.2307 125.9128 54.6222 34.4105 174.3496 98 Y 4.9930 8.3865 120.8523 56.9100 41.2774 173.7183 99 G 3.5896 8.3892 113.2357 44.5706 0.0000 171.0263 100 T 4.7776 8.5569 116.2169 61.4024 71.2360 174.6472 101 A 4.6933 8.4444 126.9180 51.0390 18.0225 176.0554 102 Y 4.5593 8.3400 118.7858 57.7016 39.2643 174.9670 103 K 3.8135 7.8276 120.9419 56.9883 31.3439 176.3459 104 F 4.1611 8.0671 123.3235 55.9511 36.9324 174.9438 105 E 5.0423 7.9553 123.3942 55.6380 27.3487 177.4452 106 E 4.0342 8.6170 122.8890 57.4234 29.9203 177.7042 107 V 3.2396 7.4034 115.4079 63.2945 30.5411 172.5709 108 S 4.1694 8.0513 112.6812 58.3935 63.7710 176.2739 109 K 3.8931 9.2164 128.6784 57.2176 30.5840 176.0810 110 D 4.8284 9.2164 126.1606 55.1036 43.9728 176.3482 111 L 4.5611 7.3900 118.3813 54.2377 42.9698 177.1132 112 I 4.4176 8.2323 120.4242 59.4945 39.5640 174.4623 113 A 4.5781 8.0605 127.1758 51.2405 20.0466 176.4747 114 V 4.6022 8.7513 115.1435 59.5921 35.8427 174.3499 115 Y 4.8517 8.1132 120.9041 56.3468 41.2538 174.2467 116 Y 5.1627 9.5727 120.3804 56.3400 42.8648 174.1460 117 S 4.8736 9.4286 118.1265 56.8638 64.8511 173.0691 118 F 4.5595 10.1974 128.3872 56.0197 38.2246 176.0631 119 G 3.8680 9.1134 116.8915 46.2453 0.0000 171.6344 120 G 3.8722 7.9623 106.1120 44.7924 0.0000 173.1437 121 L 4.3361 8.0405 121.1935 54.3537 42.7175 176.3618 122 L 4.8293 9.0477 124.2738 53.7553 44.5769 175.4281 123 M 5.3106 9.5281 120.6567 54.3373 36.1058 173.8222 124 R 4.3451 9.0468 125.8923 54.4484 32.5852 174.2111 125 L 4.7102 8.4432 126.6296 53.5087 43.8121 175.7919 126 E 4.6868 8.1378 120.8503 54.1214 33.3659 172.2417 127 G 3.9931 8.0345 117.9532 46.0749 0.0000 174.4004 128 N 4.3618 8.7965 128.7198 53.8405 42.0252 173.8395 129 Y 4.5940 8.0369 113.9388 57.1597 38.4656 175.6936 130 R 4.3137 7.3406 118.6361 56.3677 30.6823 177.5229 131 N 4.2072 8.2807 116.8259 56.2804 38.4132 175.8107 132 L 4.5752 7.7189 113.0953 54.6906 42.4168 177.4619 133 N 4.5348 7.9074 116.6853 55.6581 38.9842 175.0271 134 N 4.9646 8.1252 115.0748 51.5629 40.5680 175.1906 135 L 4.3271 8.2598 119.8076 54.6816 42.5132 177.1161 136 K 4.3158 8.4800 120.7995 56.2473 32.5802 175.8004 137 Q 4.6989 7.5176 115.3765 54.0198 29.7467 173.8783 138 E 3.4673 8.1841 116.2552 59.6284 30.0370 175.0230 139 N 4.6388 7.8446 125.5932 54.2458 39.6490 174.4195 140 A 4.6147 8.4596 120.8974 51.3098 21.2968 175.0239 141 Y 4.7023 8.8265 119.4276 58.7703 39.5583 175.4905 142 L 4.6997 9.3538 122.1005 53.4121 45.3423 174.9334 143 L 5.1100 8.8390 126.1963 52.8851 45.0458 175.6930 144 I 5.5614 8.9274 123.2269 58.6413 40.8087 174.1761 145 R 4.9084 9.0659 124.0266 55.4477 31.7608 176.8495 146 R 4.2815 9.4341 121.9297 56.8653 30.8350 175.9287 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 S 8.33 4.45 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 4.56 0.00 2.72 2.76 0.00 0.00 6.72 6.66 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 4 T 9.06 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 1.27 0.00 0.00 5 L 8.96 4.61 0.00 1.76 1.91 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.71 5.28 0.00 3.13 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 7 D 6.05 4.61 0.00 2.56 2.30 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 8 D 7.43 4.53 0.00 2.42 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 9 I 7.52 5.08 1.85 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 1.39 1.01 0.96 0.00 0.00 10 F 9.81 5.10 0.00 3.11 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 11 Q 9.29 4.86 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 12 V 8.84 4.27 2.14 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 0.94 0.00 0.00 1.01 0.00 0.00 13 S 8.68 4.07 0.00 3.93 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 14 E 7.92 4.75 0.00 2.05 1.79 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 2.30 2.33 0.00 15 V 8.26 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 0.94 0.00 0.00 1.03 0.00 0.00 16 D 8.93 4.84 0.00 2.89 2.58 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 17 P 0.00 4.35 0.00 2.27 2.21 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 18 G 8.57 3.51 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 0.00 19 R 8.30 3.38 0.00 1.64 1.65 0.00 3.25 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 20 Y 8.06 4.70 0.00 3.26 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 21 N 8.74 4.99 0.00 2.71 2.83 0.00 0.00 6.70 7.61 0.00 0.00 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 K 8.16 4.64 0.00 1.69 1.95 0.00 1.62 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.43 7.81 23 V 7.76 5.02 1.80 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 0.55 0.00 0.00 0.84 0.00 0.00 24 C 9.15 5.16 0.00 2.90 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 25 R 9.09 4.80 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 26 I 9.51 4.65 1.92 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 1.14 0.52 0.90 0.00 0.00 27 E 9.17 5.16 0.00 2.03 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 2.22 2.27 0.00 28 A 7.98 4.67 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 29 A 9.25 4.85 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 30 S 8.30 4.49 0.00 3.72 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 31 T 7.80 3.62 4.18 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 1.17 0.00 0.00 32 T 9.34 3.50 4.16 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 1.14 0.00 0.00 33 Q 8.65 4.44 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 34 D 8.67 4.17 0.00 2.68 2.74 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 35 Q 8.17 4.07 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 36 C 7.43 5.12 0.00 3.02 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 37 K 8.76 5.01 0.00 1.72 1.66 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 38 L 8.68 4.77 0.00 1.43 1.45 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.27 5.11 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 1.29 0.00 0.00 40 L 9.11 5.06 0.00 1.57 1.32 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.76 5.17 0.00 2.69 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 42 I 8.70 4.64 1.85 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.47 1.18 0.00 0.00 43 N 9.70 4.97 0.00 2.69 2.70 0.00 0.00 6.64 7.60 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 44 V 8.72 3.92 2.14 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 0.95 0.00 0.00 1.01 0.00 0.00 45 E 7.78 4.02 0.00 2.31 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 2.37 2.32 0.00 46 L 7.62 4.40 0.00 1.61 1.60 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.73 4.62 0.00 3.00 3.13 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 48 P 0.00 4.49 0.00 1.98 1.97 0.00 3.45 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 49 V 8.25 4.43 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 0.91 0.00 0.00 1.30 0.00 0.00 50 A 8.98 4.81 1.24 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 0.00 0.00 0.00 51 A 8.36 4.24 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 52 Q 9.35 3.60 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 53 D 7.65 4.93 0.00 2.78 2.70 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 54 S 8.36 5.92 0.00 3.86 3.83 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 55 L 8.58 4.85 0.00 1.70 1.64 0.91 1.04 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 56 T 8.46 4.43 4.38 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 1.30 0.00 0.00 57 V 9.78 4.32 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 0.90 0.00 0.00 0.86 0.00 0.00 58 T 8.41 4.69 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 1.27 0.00 0.00 59 I 8.73 3.86 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 1.08 0.00 0.00 60 A 8.08 3.87 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 61 S 7.69 5.08 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.29 0.00 3.90 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 63 L 8.20 3.31 0.00 1.64 1.71 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.42 4.20 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 1.29 0.00 0.00 77 R 8.08 3.95 0.00 2.00 1.97 0.00 3.24 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 78 S 8.47 4.43 0.00 4.07 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 79 W 8.59 4.84 0.00 3.27 3.14 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 80 R 7.15 4.18 0.00 1.47 1.50 0.00 3.16 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 81 P 0.00 3.75 0.00 1.92 1.86 0.00 3.40 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 82 P 0.00 4.65 0.00 2.10 1.84 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 83 Q 8.88 3.73 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 84 A 7.56 4.26 1.20 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 85 G 7.73 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 86 D 7.41 4.60 0.00 2.74 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 87 R 7.62 4.20 0.00 1.91 1.60 0.00 3.19 0.00 0.00 3.25 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 88 S 9.05 4.43 0.00 3.93 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 89 L 7.49 4.29 0.00 1.73 1.80 0.92 1.13 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 90 A 7.73 4.19 1.20 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 91 D 7.77 5.01 0.00 3.03 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 92 D 7.98 4.39 0.00 2.30 2.42 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 93 Y 7.88 4.90 0.00 2.88 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 D 8.78 4.79 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 95 Y 7.86 4.05 0.00 2.27 2.30 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 96 V 7.98 5.50 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 1.00 0.00 0.00 1.05 0.00 0.00 97 M 8.23 4.51 0.00 1.37 1.31 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.32 2.58 0.00 98 Y 8.39 4.99 0.00 2.44 2.68 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 99 G 8.39 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 0.00 0.00 0.00 100 T 8.56 4.78 4.15 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 1.19 0.00 0.00 101 A 8.44 4.69 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 0.00 102 Y 8.34 4.56 0.00 2.97 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 0.00 103 K 7.83 3.81 0.00 1.56 1.93 0.00 1.73 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 1.00 7.81 104 F 8.07 4.16 0.00 2.26 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 0.00 105 E 7.96 5.04 0.00 2.00 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 2.32 2.27 0.00 106 E 8.62 4.03 0.00 2.01 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 2.52 2.76 0.00 107 V 7.40 3.24 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 0.74 0.00 0.00 0.95 0.00 0.00 108 S 8.05 4.17 0.00 4.05 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 0.00 109 K 9.22 3.89 0.00 1.92 1.65 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 110 D 9.22 4.83 0.00 2.63 2.68 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 L 7.39 4.56 0.00 1.49 1.80 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.23 4.42 1.79 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 1.13 1.26 0.82 0.00 0.00 113 A 8.06 4.58 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 0.00 114 V 8.75 4.60 1.74 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 0.57 0.00 0.00 0.65 0.00 0.00 115 Y 8.11 4.85 0.00 2.17 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 0.00 116 Y 9.57 5.16 0.00 2.62 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 0.00 0.00 0.00 117 S 9.43 4.87 0.00 3.58 3.66 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 0.00 118 F 10.20 4.56 0.00 3.15 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 0.00 119 G 9.11 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.96 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.04 4.34 0.00 1.91 1.86 1.00 0.64 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 0.00 122 L 9.05 4.83 0.00 1.84 1.79 0.96 0.35 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 0.00 123 M 9.53 5.31 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 124 R 9.05 4.35 0.00 1.47 1.49 0.00 2.85 0.00 0.00 2.92 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 125 L 8.44 4.71 0.00 1.36 1.29 0.50 0.88 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 0.00 126 E 8.14 4.69 0.00 1.89 1.70 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 2.24 2.24 0.00 127 G 8.03 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 0.00 0.00 0.00 128 N 8.80 4.36 0.00 2.72 2.92 0.00 0.00 6.82 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 0.00 129 Y 8.04 4.59 0.00 3.19 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 0.00 130 R 7.34 4.31 0.00 1.66 1.79 0.00 2.76 0.00 0.00 2.94 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.00 131 N 8.28 4.21 0.00 2.72 2.90 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 0.00 132 L 7.72 4.58 0.00 1.66 1.71 0.95 1.03 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 0.00 133 N 7.91 4.53 0.00 2.74 2.94 0.00 0.00 6.95 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 0.00 134 N 8.13 4.96 0.00 2.62 2.70 0.00 0.00 7.22 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 0.00 135 L 8.26 4.33 0.00 1.77 1.77 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.48 4.32 0.00 1.66 1.76 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.34 7.81 137 Q 7.52 4.70 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 138 E 8.18 3.47 0.00 1.99 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 2.25 0.00 139 N 7.84 4.64 0.00 2.78 3.05 0.00 0.00 6.67 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 0.00 140 A 8.46 4.61 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 0.00 0.00 0.00 0.00 0.00 141 Y 8.83 4.70 0.00 2.76 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 0.00 142 L 9.35 4.70 0.00 1.46 0.91 0.92 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.84 5.11 0.00 0.70 0.13 0.51 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.93 5.56 1.41 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.82 0.75 0.00 0.00 145 R 9.07 4.91 0.00 1.92 2.10 0.00 2.92 0.00 0.00 2.66 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 146 R 9.43 4.28 0.00 2.04 2.00 0.00 3.23 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.