NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2719 8.3293 121.7111 55.7101 30.1228 174.5443 2 V 3.9673 8.1714 125.6423 59.7191 32.3321 173.7524 3 Q 4.6729 9.6000 121.6085 54.9820 33.6417 174.4281 4 L 4.9402 8.6257 120.4338 53.3524 44.6799 175.3137 5 Q 4.8213 9.0528 124.6357 54.4346 30.4017 175.2778 6 Q 5.6864 9.7041 124.2228 53.9229 30.3484 176.2376 7 S 4.2528 8.6045 116.7530 58.3382 64.2175 173.4400 *9 G 3.7761 8.3793 109.0380 44.2523 0.0000 170.8750 10 P 4.6550 0.0000 0.0000 62.9871 32.2049 175.4182 11 E 4.7660 9.3218 120.8051 54.6868 33.1582 174.6063 12 D 5.4340 8.8230 123.2227 52.8221 43.3680 175.6033 13 V 4.6122 8.5640 116.2404 59.2559 36.3539 175.3890 14 K 4.9002 8.2903 120.6582 54.1167 33.8060 175.1462 15 P 4.5741 0.0000 0.0000 64.2453 31.7502 177.3387 16 G 3.8969 9.5232 110.4099 45.6252 0.0000 173.6420 17 A 4.4139 7.5988 121.7818 51.4993 20.3310 175.9540 18 S 5.2616 8.4289 112.0966 56.7055 65.7295 173.5301 19 V 4.5596 8.6940 123.2946 59.8147 35.1879 174.3895 20 K 4.9239 8.5282 122.6293 54.9289 34.5923 175.0867 21 I 4.7831 8.4611 121.5897 59.1470 40.7454 174.7668 22 S 5.3428 9.0240 118.1745 57.0148 66.8103 172.5026 23 C 4.9743 8.8886 120.3241 55.0527 45.2130 172.1738 24 K 4.4291 9.1226 129.1741 55.5295 32.8572 175.4712 25 A 5.2534 8.2243 130.1231 50.8904 21.2072 175.9318 26 S 4.2961 8.6613 112.3642 58.7108 66.4857 176.5052 27 G 3.8214 8.7326 110.0532 45.7875 0.0000 172.4962 *29 Y 5.0116 7.1470 115.6127 57.0328 39.1558 175.2962 30 T 4.1743 8.4343 116.2397 62.1884 67.4381 175.3587 31 F 3.9355 8.4307 129.5037 61.4311 39.4167 176.6273 32 T 3.9168 7.7550 106.6829 62.3766 69.1386 174.5768 33 D 4.2378 8.4757 122.5905 55.6818 41.4257 175.4421 *39 Y 5.0768 7.3680 115.8009 57.8714 39.0900 174.7169 40 Y 4.2338 9.0188 119.6486 58.3626 39.3041 174.7076 41 M 4.6056 9.0861 122.8095 54.1029 34.4995 174.5197 42 N 5.5497 9.2894 123.7160 51.5721 41.8932 173.8696 43 W 5.1859 8.6390 120.7603 54.9125 32.7644 174.6583 44 V 5.0027 9.2441 124.4305 61.0170 34.4977 173.8769 45 K 4.7670 9.5157 128.7399 54.8256 34.6480 174.6566 46 Q 5.2417 8.9228 127.7841 54.4702 32.3786 173.9089 47 S 5.0039 8.9075 120.2465 55.8937 66.3188 173.5347 48 P 4.2733 0.0000 0.0000 65.7915 31.1999 177.7685 49 G 3.9355 8.2513 107.5572 47.9898 0.0000 175.3964 50 K 4.6837 7.4418 117.9742 56.1476 34.3281 178.6963 51 G 3.6956 7.6549 111.9167 48.1478 0.0000 174.9728 52 L 5.0628 8.5211 123.8506 53.6449 42.8879 175.5569 53 E 4.9473 9.3442 122.4838 54.3017 33.7435 174.5131 54 W 4.7914 9.1698 134.3733 57.4354 31.1855 175.7844 55 I 3.7558 8.8171 129.0955 62.2129 38.0573 176.3128 56 G 2.8296 5.5567 106.1843 46.0835 0.0000 170.0618 57 D 5.4783 8.1276 119.0762 52.3834 43.6885 173.9852 58 I 4.9578 8.6947 117.6143 59.6286 42.1482 173.4304 59 N 4.0155 9.0386 128.3787 51.5234 38.4885 173.7455 60 P 4.1682 0.0000 0.0000 65.1907 31.9234 177.8859 61 N 4.1986 8.1304 117.4243 56.1966 38.8774 176.1304 *65 N 4.9025 7.4536 111.4627 51.7966 38.8936 175.0618 66 G 3.9121 8.6523 107.7473 45.2552 0.0000 174.2191 67 G 3.9197 8.8223 109.0040 46.7156 0.0000 173.1757 68 T 5.2972 8.5334 113.5778 59.9243 72.5915 173.3318 69 S 4.6700 8.4145 116.0943 57.3916 65.6582 172.2582 70 Y 5.0603 8.8346 124.1553 56.0406 41.4764 174.7722 71 N 4.9494 9.0519 121.6494 53.0412 39.6974 175.9402 72 Q 4.1715 9.2761 126.3557 59.1013 28.5810 178.9478 73 K 4.1383 8.3905 118.6133 58.8031 32.2999 178.0463 74 F 4.3896 8.2971 116.5779 56.2782 39.8645 175.3764 75 K 3.9429 9.3646 118.5576 57.5325 29.3936 175.6633 76 G 3.7625 7.9016 103.9180 46.0990 0.0000 175.1776 77 R 3.8984 8.1306 118.9369 57.7986 30.3864 175.7615 78 A 5.1663 7.0758 120.4526 50.4552 20.8899 176.6167 79 T 4.5649 8.8766 118.6433 61.7420 72.0853 172.9126 80 L 4.9607 9.4681 127.7854 53.6149 43.3284 176.0743 81 T 5.0188 8.6181 113.3839 60.3720 72.8443 172.5778 82 V 5.2144 8.2519 118.9463 60.9157 34.7860 173.7682 83 D 4.7330 9.4390 121.0001 52.6965 43.4772 176.2372 84 K 4.1044 9.0929 126.3477 59.7710 32.4748 179.3452 85 S 4.0643 8.2733 111.7305 60.9513 62.0580 174.9298 86 S 4.5218 8.2129 110.9463 57.0311 63.5409 173.8436 87 S 2.8456 7.8080 116.4383 60.3261 60.7890 171.9050 88 T 4.6449 7.3000 114.8070 61.5222 71.8283 174.5728 89 A 5.1661 8.7732 127.8885 50.8514 21.9027 175.3883 90 Y 5.3013 8.9834 116.6580 56.4791 42.9920 174.3253 91 M 4.5089 8.6052 120.9579 53.6970 35.5333 173.5845 92 E 5.0177 8.8146 125.9232 54.4045 32.3441 174.6393 93 L 5.1388 8.6701 126.8829 53.1325 44.6973 175.4909 94 R 4.7780 8.4928 122.3900 54.0699 32.4469 175.3671 95 S 3.7136 8.3791 112.1110 59.6229 60.1362 173.1196 96 L 4.4599 7.9579 120.4236 55.0247 42.4135 177.1627 97 T 5.0670 9.0940 112.3183 59.2037 72.1161 174.8666 98 S 4.2692 8.5989 114.9337 61.4445 62.8072 176.2448 99 E 4.1489 7.8502 119.5345 58.4873 29.1936 177.2327 100 D 4.7644 8.1135 117.6073 54.8222 41.3820 176.5317 101 S 5.0361 7.8494 116.5909 59.0626 63.2640 173.7265 102 S 4.5108 8.4138 119.9474 58.3512 67.6196 173.9253 103 V 4.5859 8.1548 120.6928 61.9523 33.2003 174.5012 104 Y 5.0742 9.1508 125.5490 56.4930 40.6281 174.3958 105 Y 5.5642 9.7805 121.5472 56.3245 41.9910 172.1607 106 C 4.6596 8.7038 115.6815 53.5214 43.2723 172.2969 107 E 4.7369 8.6083 121.5146 54.9100 33.0608 173.7715 108 S 4.7233 8.3820 119.9878 56.2321 66.9738 172.6591 109 Q 3.1113 8.7663 115.8539 58.5097 26.0085 174.4721 110 S 3.3675 7.6273 110.1960 59.7699 60.8689 174.4474 *136 G 3.9799 8.0384 102.8180 45.1433 0.0000 173.1510 137 A 4.0060 7.6518 123.7757 53.6781 19.0579 178.0690 138 Y 4.9492 7.6634 113.6775 56.2171 41.9370 174.8279 139 W 5.2630 9.1809 122.6969 54.7746 33.1726 175.2327 140 G 4.4911 8.6869 109.8810 45.3440 0.0000 173.9779 141 Q 4.3911 8.8280 117.1603 56.2488 29.0465 177.8732 142 G 3.8438 8.9521 103.1956 45.8226 0.0000 173.0558 143 T 4.6676 8.5048 115.8879 61.8327 72.4244 173.2059 144 T 4.8117 8.5780 123.0445 62.5706 70.5618 173.6871 145 V 4.8031 8.9808 126.9510 61.5205 34.2013 174.1523 146 T 4.8831 9.1040 125.6714 61.8233 70.8928 173.6165 147 V 4.7068 8.9675 127.8252 61.3869 32.2034 174.8205 148 S 4.7397 8.7095 122.3412 55.8693 66.0567 173.8711 149 A 4.1780 8.7397 127.9622 52.6703 18.1098 177.1640 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 Q 8.33 4.27 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 2 V 8.17 3.97 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 0.25 0.00 0.00 -0.30 0.00 0.00 3 Q 9.60 4.67 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 4 L 8.63 4.94 0.00 1.68 1.61 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.05 4.82 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 6 Q 9.70 5.69 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 7 S 8.60 4.25 0.00 3.94 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 *9 G 8.38 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 0.00 0.00 0.00 10 P 0.00 4.66 0.00 2.11 2.09 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 11 E 9.32 4.77 0.00 1.84 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 2.37 2.37 0.00 12 D 8.82 5.43 0.00 2.52 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 13 V 8.56 4.61 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 0.90 0.00 0.00 0.93 0.00 0.00 14 K 8.29 4.90 0.00 1.67 1.71 0.00 1.98 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.25 7.81 15 P 0.00 4.57 0.00 2.04 2.00 0.00 3.72 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 2.04 2.10 0.00 16 G 9.52 3.90 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 0.00 0.00 0.00 17 A 7.60 4.41 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 18 S 8.43 5.26 0.00 3.80 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 19 V 8.69 4.56 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 0.51 0.00 0.00 0.86 0.00 0.00 20 K 8.53 4.92 0.00 1.65 1.64 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.39 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.36 7.81 21 I 8.46 4.78 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.88 0.00 0.00 22 S 9.02 5.34 0.00 3.67 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 0.00 23 C 8.89 4.97 0.00 2.87 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 24 K 9.12 4.43 0.00 1.73 1.58 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.45 7.81 25 A 8.22 5.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.66 4.30 0.00 3.77 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 27 G 8.73 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 *29 Y 7.15 5.01 0.00 3.19 2.99 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 30 T 8.43 4.17 4.51 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 1.26 0.00 0.00 31 F 8.43 3.94 0.00 2.55 3.02 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 32 T 7.75 3.92 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 1.13 0.00 0.00 33 D 8.48 4.24 0.00 2.59 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 0.00 0.00 0.00 *39 Y 7.37 5.08 0.00 3.05 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 40 Y 9.02 4.23 0.00 2.86 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 41 M 9.09 4.61 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.60 0.00 42 N 9.29 5.55 0.00 2.75 2.80 0.00 0.00 6.34 8.08 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 43 W 8.64 5.19 0.00 3.09 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 44 V 9.24 5.00 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 1.36 0.00 0.00 1.03 0.00 0.00 45 K 9.52 4.77 0.00 1.82 1.78 0.00 1.97 0.00 0.00 1.99 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 0.82 7.81 46 Q 8.92 5.24 0.00 2.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.50 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 47 S 8.91 5.00 0.00 3.92 3.86 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 48 P 0.00 4.27 0.00 2.21 2.25 0.00 3.80 0.00 0.00 3.67 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 49 G 8.25 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 0.00 0.00 0.00 50 K 7.44 4.68 0.00 1.90 1.86 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.69 7.81 51 G 7.65 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 0.00 0.00 0.00 52 L 8.52 5.06 0.00 1.74 1.76 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.34 4.95 0.00 2.09 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 0.00 2.33 2.34 0.00 54 W 9.17 4.79 0.00 3.35 3.28 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 55 I 8.82 3.76 1.74 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.45 0.28 0.00 0.00 56 G 5.56 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 0.00 0.00 0.00 57 D 8.13 5.48 0.00 3.12 3.33 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 58 I 8.69 4.96 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.71 1.03 0.00 0.00 59 N 9.04 4.02 0.00 2.02 2.58 0.00 0.00 7.12 7.28 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 60 P 0.00 4.17 0.00 1.34 0.94 0.00 3.35 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 61 N 8.13 4.20 0.00 2.83 2.84 0.00 0.00 6.75 6.84 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 *65 N 7.45 4.90 0.00 2.85 2.91 0.00 0.00 6.48 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 66 G 8.65 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 67 G 8.82 3.92 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 0.00 0.00 0.00 68 T 8.53 5.30 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 1.27 0.00 0.00 69 S 8.41 4.67 0.00 4.06 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 70 Y 8.83 5.06 0.00 2.92 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 71 N 9.05 4.95 0.00 3.22 3.21 0.00 0.00 7.36 7.69 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 72 Q 9.28 4.17 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 73 K 8.39 4.14 0.00 1.57 1.55 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 74 F 8.30 4.39 0.00 3.27 3.10 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 75 K 9.36 3.94 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.51 7.81 76 G 7.90 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 77 R 8.13 3.90 0.00 2.05 2.15 0.00 3.36 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 78 A 7.08 5.17 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 79 T 8.88 4.56 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 1.21 0.00 0.00 80 L 9.47 4.96 0.00 1.43 1.59 0.74 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.62 5.02 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 1.22 0.00 0.00 82 V 8.25 5.21 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 0.84 0.00 0.00 1.25 0.00 0.00 83 D 9.44 4.73 0.00 3.10 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 84 K 9.09 4.10 0.00 1.92 1.91 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.51 7.81 85 S 8.27 4.06 0.00 3.84 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 86 S 8.21 4.52 0.00 3.95 3.90 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 87 S 7.81 2.85 0.00 3.67 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 88 T 7.30 4.64 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 0.52 0.00 0.00 89 A 8.77 5.17 1.58 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 90 Y 8.98 5.30 0.00 2.85 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 91 M 8.61 4.51 0.00 0.92 0.57 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 92 E 8.81 5.02 0.00 1.81 1.71 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 2.12 2.10 0.00 93 L 8.67 5.14 0.00 1.40 1.32 0.89 0.60 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 94 R 8.49 4.78 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 95 S 8.38 3.71 0.00 4.04 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 96 L 7.96 4.46 0.00 1.72 1.60 0.89 0.42 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 97 T 9.09 5.07 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 1.23 0.00 0.00 98 S 8.60 4.27 0.00 4.04 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 99 E 7.85 4.15 0.00 1.97 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 0.00 2.36 2.30 0.00 100 D 8.11 4.76 0.00 2.86 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 0.00 101 S 7.85 5.04 0.00 3.90 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 0.00 102 S 8.41 4.51 0.00 3.22 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 0.00 103 V 8.15 4.59 1.94 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 0.43 0.00 0.00 0.88 0.00 0.00 104 Y 9.15 5.07 0.00 3.04 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 0.00 105 Y 9.78 5.56 0.00 3.06 3.01 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 0.00 106 C 8.70 4.66 0.00 1.85 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 0.00 107 E 8.61 4.74 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 1.52 1.47 0.00 108 S 8.38 4.72 0.00 3.90 3.54 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 0.00 109 Q 8.77 3.11 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.08 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 110 S 7.63 3.37 0.00 3.95 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 *136 G 8.04 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 0.00 0.00 0.00 137 A 7.65 4.01 0.93 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 0.00 138 Y 7.66 4.95 0.00 2.67 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 0.00 139 W 9.18 5.26 0.00 3.00 3.09 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 0.00 0.00 0.00 0.00 140 G 8.69 4.49 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 0.00 141 Q 8.83 4.39 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 142 G 8.95 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 0.00 143 T 8.50 4.67 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 1.34 0.00 0.00 144 T 8.58 4.81 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 0.00 145 V 8.98 4.80 2.32 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 0.99 0.00 0.00 0.91 0.00 0.00 146 T 9.10 4.88 4.51 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 1.23 0.00 0.00 147 V 8.97 4.71 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 0.75 0.00 0.00 0.97 0.00 0.00 148 S 8.71 4.74 0.00 3.94 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 0.00 149 A 8.74 4.18 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 * Residues marked with a * may have inaccurate shift predictions.