NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0140 8.3049 120.3352 55.6651 33.1918 173.1432 2 F 3.8135 8.3644 124.4746 57.5461 36.2245 173.2365 3 K 4.5628 10.0622 127.6316 56.9871 35.5875 176.5326 4 T 5.1556 8.0694 116.0751 61.7241 72.6042 172.9787 5 I 4.8449 9.0208 127.1283 59.2468 40.7591 174.1219 6 L 5.0702 9.0481 128.8253 53.1712 44.5731 174.4758 7 L 5.0499 9.1701 128.7434 53.5446 44.0880 174.6536 8 A 4.9985 8.6292 128.6958 50.7435 20.1602 175.4370 9 Y 4.7073 9.0937 124.9461 55.9352 40.8465 175.0907 10 D 4.7505 8.3651 124.2012 52.6450 40.1857 176.9435 11 G 3.6598 6.7274 107.4145 46.0423 0.0000 174.5315 12 S 4.3653 7.9074 115.8184 57.6214 65.3023 174.9748 13 E 3.9736 8.5322 121.2566 59.7894 29.0679 179.2607 14 H 4.0791 8.2553 115.6759 58.8530 28.7796 177.5101 15 A 3.9847 7.9062 122.4539 54.7920 18.2192 179.9816 16 R 4.1211 7.9986 117.0051 59.6086 30.1752 179.4121 17 R 4.2395 8.4323 119.0159 58.6961 29.9522 178.9979 18 A 4.0443 8.4422 120.8050 54.9855 18.2640 179.5789 19 A 3.9951 8.2971 119.6185 55.2901 17.9098 179.7567 20 E 3.9088 8.1668 116.8196 59.5642 29.4672 179.7236 21 V 3.6232 7.9812 118.0994 65.9251 31.5000 177.9991 22 A 3.9607 8.3426 120.8730 54.8093 18.2092 179.5255 23 K 3.8408 8.3280 118.1640 59.6291 32.3221 178.9504 24 A 4.0298 8.0906 121.0486 55.1624 18.2862 179.5139 25 E 4.0046 8.5703 117.1853 59.5691 29.4836 179.4378 26 A 4.0714 8.2670 121.0127 55.1061 17.9007 179.3590 27 E 3.8702 8.3543 117.7407 59.3523 29.5199 178.9227 28 A 4.0409 8.0484 119.9527 54.6303 18.5453 178.3049 29 H 4.7112 8.2268 111.9916 54.5033 29.6897 175.0652 30 G 3.8417 7.7428 107.8973 46.6906 0.0000 173.5210 31 A 4.8598 8.0710 120.0155 49.9027 21.9292 177.4621 32 R 4.2864 8.9629 120.3859 55.5461 31.5861 174.8271 33 L 5.1721 8.5104 127.9802 53.3982 44.2343 175.1315 34 I 4.7876 8.8662 127.0634 59.5910 40.3048 174.8588 35 V 4.9130 8.9407 119.6961 59.7122 34.6694 175.2338 36 V 5.0502 8.8757 116.7913 59.9761 36.2690 174.0740 37 H 5.3649 9.2001 122.7067 54.5965 33.0435 171.7858 38 A 5.0352 8.6517 127.3904 50.5653 20.8891 175.4400 39 Y 4.8326 8.5466 121.7662 55.7742 41.1410 175.7379 40 E 4.6517 8.7888 119.1555 54.5884 31.6965 174.2726 41 P 4.1989 0.0000 0.0000 63.7643 31.0819 175.4632 *55 L 4.1859 8.1031 128.9011 56.2541 41.5528 178.1529 56 R 3.9266 8.7747 119.7307 62.7082 29.3137 175.7159 57 R 4.2514 7.8576 121.1264 61.3248 29.5087 180.4760 58 R 4.0521 7.8743 119.3821 59.2164 30.0006 178.4805 59 L 3.6199 7.9989 119.0100 57.4669 41.5762 179.2835 60 E 3.8950 8.2811 118.7380 59.4341 29.4494 179.3476 61 R 3.8768 8.0791 118.4524 59.4850 30.1641 178.4450 62 A 4.1829 8.1469 120.5396 55.1042 18.2580 179.5232 63 E 4.0683 8.6566 117.8403 59.4794 29.5268 179.7298 64 G 3.6077 8.2005 105.8450 47.7512 0.0000 175.9064 65 V 3.6629 7.8266 120.6523 65.7555 31.4676 177.9560 66 L 3.9882 8.1266 120.1017 58.0613 41.8194 178.6372 67 E 3.8978 8.4684 119.0892 59.3271 29.3710 178.9725 68 E 3.8511 8.1941 119.0503 59.2777 29.8587 178.7828 69 A 3.1508 7.4298 120.3482 54.7467 18.1285 179.6241 70 R 3.7676 8.0309 117.3404 59.3545 29.8981 178.6416 71 A 3.9506 7.9169 120.2942 54.9460 18.4469 179.2320 72 L 4.1268 7.9134 116.7241 56.8782 41.8678 178.5567 73 T 4.4024 7.6132 107.5607 60.6827 69.8061 175.7831 74 G 3.8672 8.1538 109.0215 45.8509 0.0000 174.1745 75 V 3.8606 7.0923 111.5887 60.0074 32.3585 174.5599 76 P 4.4897 0.0000 0.0000 62.1344 32.2491 177.7735 77 K 3.8556 8.8482 120.1121 59.9901 31.9725 179.3085 78 E 4.0991 8.1958 115.5670 58.6328 29.6830 177.0631 79 D 4.8942 8.2659 117.8180 53.6834 42.3968 175.4924 80 A 5.1126 8.0494 121.3432 50.3241 20.7791 176.1020 81 L 4.7891 9.0610 122.4269 53.6022 44.8406 175.9888 82 L 5.1613 8.5405 122.9022 53.7661 43.2180 175.8443 83 L 4.9166 8.9543 122.1951 52.8830 46.3955 174.8506 84 E 4.0472 8.5405 120.4366 55.1330 32.4151 174.2551 85 G 3.6087 8.2916 110.9457 43.9050 0.0000 173.7860 86 V 3.6218 8.3168 118.6589 62.1818 32.7936 175.1588 87 P 4.1435 0.0000 0.0000 65.9024 31.3003 178.5641 88 A 4.0151 8.4628 119.4392 55.2514 18.1790 179.5004 89 E 3.8795 8.1444 116.3553 59.3883 29.5265 179.3444 90 A 3.9162 7.9527 120.8072 55.1588 18.3941 179.6743 91 I 3.6307 8.1080 118.7557 64.6247 37.2175 178.7463 92 L 3.9630 8.0497 119.7830 57.7542 41.3592 179.3839 93 Q 3.9405 8.3740 119.5597 59.1148 28.9512 178.1058 94 A 3.9521 8.2583 121.7304 54.9863 18.3313 179.4549 95 A 3.9503 8.2782 119.6444 55.3405 18.5556 180.1771 96 R 3.8406 8.1580 116.3624 59.2135 29.9527 178.9655 97 A 4.0142 7.9561 119.5946 55.1696 18.5441 178.8254 98 E 4.1993 8.3934 113.7261 55.4870 30.3075 176.5164 99 K 3.7782 7.8919 117.1285 56.7821 30.3067 175.7232 100 A 4.1955 8.0030 120.5371 53.0893 18.8575 178.0219 101 D 4.8732 8.9314 121.6158 54.7041 42.2622 176.6385 102 L 4.3938 7.3778 119.5386 53.8948 45.7158 173.2855 103 I 4.8870 8.4089 126.9117 59.4821 40.1044 174.5065 104 V 4.8973 8.7665 127.3159 61.2945 33.8532 174.2914 105 M 5.0287 8.8981 124.0327 53.8149 35.0886 174.3562 106 G 4.1526 8.5068 106.8542 46.1321 0.0000 174.0944 107 T 4.1689 8.8809 111.5842 63.9827 70.0343 174.3316 108 R 4.5445 7.4541 118.5850 54.7350 35.1919 173.5220 109 G 3.8446 7.7530 105.7406 45.2099 0.0000 173.9393 110 L 3.9464 8.4175 119.6684 57.5038 41.7550 178.1861 111 G 3.8862 7.8945 104.9953 44.9754 0.0000 173.4015 112 A 4.0277 7.6490 123.3057 52.3866 18.5910 178.0753 113 L 4.5289 8.6382 120.8545 53.9155 43.9188 177.8244 114 G 3.9688 8.4779 106.2067 45.2916 0.0000 174.0380 115 S 4.4474 7.7106 113.5256 59.1647 64.0460 174.6463 116 L 4.4979 7.5862 120.2608 53.6174 42.4411 176.7542 117 F 4.4571 8.7455 115.6789 59.2076 38.4463 175.4917 118 L 4.1268 6.7649 120.5070 53.0829 44.7141 174.7646 119 G 3.7330 8.5449 114.7101 45.3001 0.0000 174.8713 120 S 4.2427 8.4690 115.8705 61.2107 62.8752 176.8309 121 Q 3.9921 7.9026 121.3728 58.7443 28.5656 178.3074 122 S 4.0606 7.8985 115.7538 61.5702 62.8893 176.4575 123 Q 3.9538 8.3833 121.1067 59.1666 28.5521 179.3392 124 R 3.9214 7.9885 118.9359 59.1270 30.0919 179.3424 125 V 3.5584 8.0525 118.3726 66.0144 31.3422 178.1250 126 V 3.5813 7.9524 116.9814 66.1184 31.3697 177.5528 127 A 4.2442 7.8564 119.2891 53.8211 18.3649 177.7450 128 E 4.5263 7.5671 113.1016 55.6604 30.9183 176.2435 129 A 4.1207 7.9562 122.9665 51.8249 18.8036 176.0247 130 P 4.5935 0.0000 0.0000 62.8946 31.6933 174.8547 131 C 4.7336 7.2111 112.5715 57.3088 32.2035 171.4928 132 P 4.5301 0.0000 0.0000 62.8116 32.2474 175.9041 133 V 4.7402 8.2079 121.4844 61.0646 34.4084 174.3457 134 L 4.5065 8.9700 130.7779 53.5809 43.3406 174.9428 135 L 4.8467 8.4578 127.3442 53.8819 42.8478 176.3890 136 V 4.4024 8.6788 124.9886 60.8570 33.7427 175.9286 137 R 4.5261 8.5064 122.7982 55.7256 29.6882 176.1480 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 4.01 0.00 1.43 1.73 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.23 0.00 2 F 8.36 3.81 0.00 3.12 2.87 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 3 K 10.06 4.56 0.00 1.83 1.86 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 4 T 8.07 5.16 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 1.25 0.00 0.00 5 I 9.02 4.84 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 0.85 0.00 0.00 6 L 9.05 5.07 0.00 1.61 1.46 0.91 0.40 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 7 L 9.17 5.05 0.00 1.76 1.51 1.12 0.89 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 8 A 8.63 5.00 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 9 Y 9.09 4.71 0.00 2.89 2.87 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 10 D 8.37 4.75 0.00 2.75 2.66 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 11 G 6.73 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 0.00 0.00 0.00 12 S 7.91 4.37 0.00 4.00 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 13 E 8.53 3.97 0.00 1.97 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 0.00 2.38 2.33 0.00 14 H 8.26 4.08 0.00 3.24 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.91 3.98 0.89 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 0.00 0.00 16 R 8.00 4.12 0.00 2.08 2.05 0.00 3.42 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 17 R 8.43 4.24 0.00 1.97 1.97 0.00 3.11 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 18 A 8.44 4.04 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 19 A 8.30 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.91 0.00 2.21 2.02 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 2.35 2.60 0.00 21 V 7.98 3.62 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 1.10 0.00 0.00 1.01 0.00 0.00 22 A 8.34 3.96 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 23 K 8.33 3.84 0.00 1.89 1.94 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 24 A 8.09 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.00 0.00 2.15 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 2.53 2.45 0.00 26 A 8.27 4.07 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 27 E 8.35 3.87 0.00 2.19 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 2.37 0.00 28 A 8.05 4.04 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 29 H 8.23 4.71 0.00 3.36 3.74 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.74 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 0.00 0.00 0.00 31 A 8.07 4.86 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 32 R 8.96 4.29 0.00 1.87 1.94 0.00 3.06 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 33 L 8.51 5.17 0.00 1.64 1.51 0.95 0.99 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 34 I 8.87 4.79 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 1.36 0.40 0.97 0.00 0.00 35 V 8.94 4.91 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 0.65 0.00 0.00 0.92 0.00 0.00 36 V 8.88 5.05 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 1.02 0.00 0.00 37 H 9.20 5.36 0.00 3.40 3.21 0.00 5.76 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 38 A 8.65 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.55 4.83 0.00 3.05 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 40 E 8.79 4.65 0.00 1.77 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 2.19 1.87 0.00 41 P 0.00 4.20 0.00 2.18 2.16 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 *55 L 8.10 4.19 0.00 1.86 1.89 0.91 0.69 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 56 R 8.77 3.93 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 57 R 7.86 4.25 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 58 R 7.87 4.05 0.00 1.89 2.10 0.00 3.23 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 59 L 8.00 3.62 0.00 1.68 1.52 0.81 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.28 3.89 0.00 2.13 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 2.47 0.00 61 R 8.08 3.88 0.00 1.87 2.07 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 62 A 8.15 4.18 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 63 E 8.66 4.07 0.00 2.12 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 0.00 2.33 2.53 0.00 64 G 8.20 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.83 3.66 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 0.94 0.00 0.00 0.99 0.00 0.00 66 L 8.13 3.99 0.00 1.90 1.80 0.93 0.86 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 67 E 8.47 3.90 0.00 2.23 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 2.32 2.54 0.00 68 E 8.19 3.85 0.00 2.09 2.20 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 2.38 2.36 0.00 69 A 7.43 3.15 0.38 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 70 R 8.03 3.77 0.00 1.90 2.01 0.00 3.07 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 71 A 7.92 3.95 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 72 L 7.91 4.13 0.00 1.52 1.71 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.61 4.40 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 1.19 0.00 0.00 74 G 8.15 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 75 V 7.09 3.86 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 0.71 0.00 0.00 0.94 0.00 0.00 76 P 0.00 4.49 0.00 2.17 1.96 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 77 K 8.85 3.86 0.00 1.81 1.87 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.48 7.81 78 E 8.20 4.10 0.00 1.95 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 0.00 2.32 2.33 0.00 79 D 8.27 4.89 0.00 2.76 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 80 A 8.05 5.11 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 81 L 9.06 4.79 0.00 1.55 1.56 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.54 5.16 0.00 1.63 1.80 0.96 1.12 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 83 L 8.95 4.92 0.00 1.46 1.42 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.54 4.05 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.09 0.00 85 G 8.29 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.32 3.62 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 1.03 0.00 0.00 0.90 0.00 0.00 87 P 0.00 4.14 0.00 2.29 2.07 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 88 A 8.46 4.02 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 89 E 8.14 3.88 0.00 2.15 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 2.38 2.35 0.00 90 A 7.95 3.92 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 91 I 8.11 3.63 2.00 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 1.52 0.75 0.90 0.00 0.00 92 L 8.05 3.96 0.00 1.68 1.70 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.37 3.94 0.00 2.13 2.07 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 2.34 2.40 0.00 94 A 8.26 3.95 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 95 A 8.28 3.95 1.37 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 0.00 0.00 0.00 96 R 8.16 3.84 0.00 1.88 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 97 A 7.96 4.01 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 98 E 8.39 4.20 0.00 1.96 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 0.00 2.41 2.48 0.00 99 K 7.89 3.78 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.37 7.81 100 A 8.00 4.20 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 0.00 101 D 8.93 4.87 0.00 2.77 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 0.00 102 L 7.38 4.39 0.00 0.36 0.88 0.56 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.41 4.89 1.83 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 1.08 0.47 0.88 0.00 0.00 104 V 8.77 4.90 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 1.04 0.00 0.00 0.84 0.00 0.00 105 M 8.90 5.03 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 106 G 8.51 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 0.00 0.00 0.00 0.00 107 T 8.88 4.17 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 0.00 108 R 7.45 4.54 0.00 1.32 1.66 0.00 3.30 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 109 G 7.75 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 0.00 0.00 0.00 110 L 8.42 3.95 0.00 1.65 1.72 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.89 3.89 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 0.00 0.00 0.00 112 A 7.65 4.03 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 0.00 113 L 8.64 4.53 0.00 1.60 1.67 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.48 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 0.00 0.00 0.00 115 S 7.71 4.45 0.00 4.00 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 0.00 116 L 7.59 4.50 0.00 1.60 1.74 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.75 4.46 0.00 3.11 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 0.00 118 L 6.76 4.13 0.00 0.49 0.13 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.54 3.73 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 0.00 0.00 0.00 120 S 8.47 4.24 0.00 4.03 4.10 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 0.00 121 Q 7.90 3.99 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 122 S 7.90 4.06 0.00 3.87 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 0.00 123 Q 8.38 3.95 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.48 0.00 124 R 7.99 3.92 0.00 1.98 1.96 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 125 V 8.05 3.56 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 0.98 0.00 0.00 0.98 0.00 0.00 126 V 7.95 3.58 2.29 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 0.91 0.00 0.00 0.97 0.00 0.00 127 A 7.86 4.24 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 0.00 128 E 7.57 4.53 0.00 1.94 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 2.42 2.35 0.00 129 A 7.96 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 0.00 130 P 0.00 4.59 0.00 2.20 2.16 0.00 3.80 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 1.97 1.94 0.00 131 C 7.21 4.73 0.00 3.09 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 0.00 132 P 0.00 4.53 0.00 2.17 2.11 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.19 0.00 133 V 8.21 4.74 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 0.76 0.00 0.00 0.97 0.00 0.00 134 L 8.97 4.51 0.00 1.70 1.47 0.93 0.44 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 0.00 135 L 8.46 4.85 0.00 1.57 1.58 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.68 4.40 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 1.07 0.00 0.00 0.94 0.00 0.00 137 R 8.51 4.53 0.00 1.98 1.91 0.00 2.73 0.00 0.00 2.94 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.