NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4318 8.3193 115.2895 59.0448 63.6544 170.9942 0 H 4.5479 7.7904 114.7467 54.5179 30.3782 171.4335 2 F 5.1591 8.7305 116.3937 56.4998 44.1851 175.4790 3 S 5.4216 8.7313 114.6704 57.1378 66.2672 172.9459 4 I 4.8963 8.9004 113.4546 59.6173 41.1453 174.1949 5 T 5.2917 8.5662 119.0338 62.0441 71.9494 173.6448 6 V 4.6046 8.8394 118.1978 59.4978 35.5546 174.3895 7 R 5.1419 8.6080 123.4900 54.9170 31.8031 174.1655 8 D 5.2933 9.0808 125.8604 53.4344 45.1930 173.2753 9 H 5.1777 8.5063 112.0015 54.8881 31.1161 173.4837 10 I 4.8424 8.6205 114.1464 58.7269 40.9474 173.9489 *12 I 4.3838 8.3227 113.4613 61.2397 39.4987 174.5561 13 A 5.1813 8.2195 124.3494 50.7993 22.0930 175.0852 14 H 4.8845 8.3329 113.6810 55.1656 32.2151 172.7515 15 S 4.7368 9.1599 113.6370 56.5429 66.4266 173.0346 16 F 4.9981 8.3619 118.2019 55.6005 42.2131 174.6036 17 R 4.7117 10.1829 122.5486 54.1897 31.6153 174.4081 18 G 4.0265 9.0354 110.0500 43.6108 0.0000 174.3176 19 D 4.4437 8.9063 124.5214 56.9815 41.1897 178.9305 20 V 3.4702 7.7902 117.7147 64.6245 31.1798 177.1366 21 F 4.4707 8.2531 117.8699 57.4921 40.6423 177.2937 22 G 3.8643 7.7866 109.5585 45.9670 0.0000 176.0654 23 P 4.3380 0.0000 0.0000 64.6046 31.4494 177.3235 24 A 4.1920 8.2520 121.5740 53.4421 18.4853 179.2202 25 Q 4.9384 7.9228 114.5602 58.0043 29.0314 177.5205 26 R 4.1010 7.6709 116.4147 55.1973 30.6699 176.1398 27 L 4.1378 8.3569 123.2088 55.7228 42.9754 175.6308 28 H 4.6611 8.9813 124.4136 55.0185 30.2351 170.7131 29 G 4.4622 8.3255 104.6554 46.7602 0.0000 171.8575 30 A 4.4813 8.2415 119.2895 51.0973 22.4374 176.4097 31 T 4.3854 8.2057 117.5748 62.1577 70.2274 174.2004 32 F 5.2794 8.6993 126.2602 55.7856 41.0251 175.3682 33 L 4.6752 8.9047 125.2268 54.6082 42.9957 176.2757 34 V 4.7521 9.1590 124.2315 61.4071 33.9341 173.7912 35 D 5.4504 9.3983 129.0040 52.5823 43.3074 175.2391 36 A 4.8581 9.0108 126.4854 50.4962 21.2927 175.2205 37 T 4.9705 8.8211 120.2193 61.9280 71.1138 173.7116 38 F 5.3144 9.3730 125.6606 55.5435 41.9287 174.7703 39 R 5.4562 8.9535 119.4854 54.6496 32.8029 174.5549 40 R 4.9525 8.9733 116.3428 55.2942 32.7346 175.8794 41 E 4.2107 8.9892 119.8196 58.6041 29.9916 177.5875 42 Q 4.7861 7.7767 115.7123 53.4939 32.4469 175.0411 43 L 3.8964 7.9625 121.9041 54.6789 42.4394 177.2706 44 D 4.6909 8.5036 121.7489 52.2878 41.1559 176.7114 45 E 3.9634 8.5858 115.9142 59.0817 29.5861 177.1092 46 D 4.5360 8.3492 118.1328 53.7453 41.0995 175.5958 47 N 4.1785 8.1908 117.0204 54.5397 37.6375 173.3536 48 I 4.6344 7.4206 107.4376 58.3874 41.2196 176.2760 49 V 3.5580 8.3887 120.4461 65.3470 31.6092 176.4130 50 V 4.2482 7.1887 115.6007 58.6308 33.8825 173.1335 51 D 4.2364 8.6267 120.8361 54.8979 41.5413 177.0530 52 I 3.6935 8.3243 128.0993 63.8420 38.0580 177.7792 53 G 3.5505 8.0690 106.3531 47.7870 0.0000 175.6230 54 L 3.9927 8.3412 121.3624 57.0858 41.5027 179.3884 55 A 3.8015 8.1425 121.3882 55.3615 18.2678 179.8377 56 T 3.8447 8.1101 108.5174 64.8532 68.7570 176.3843 57 Q 3.9455 8.2014 122.5244 59.1547 29.0429 178.3978 58 E 3.9862 8.7410 119.8236 59.1142 29.4253 178.9818 59 L 4.0975 8.3747 120.8775 58.1238 42.0978 179.2147 60 G 3.6704 8.5447 105.8259 47.1711 0.0000 175.4832 61 A 4.0075 8.0767 122.4204 54.7377 18.1924 179.6545 62 V 3.6949 8.0152 116.8275 66.4882 31.6637 178.8074 63 V 3.8765 8.2849 112.2069 63.8304 30.9820 178.7165 64 G 3.6852 8.4239 105.8153 47.6232 0.0000 175.2201 65 A 3.9567 7.7078 120.6080 53.8555 18.4785 177.9131 66 L 4.5628 7.8579 116.1588 55.1938 42.9831 176.9493 67 N 4.2740 7.6171 117.4531 54.7696 39.3012 174.0566 68 Y 3.6433 8.1095 119.9479 59.3481 35.6978 170.0205 69 R 4.6550 7.3084 113.2016 54.3034 33.9561 174.7832 70 N 5.0430 8.4214 118.5751 52.1909 39.0235 175.8313 71 L 4.3578 9.0153 127.7431 57.2889 42.0350 179.5813 72 D 4.4131 8.3235 118.2945 56.7255 40.7551 176.8724 73 N 4.7881 8.0262 113.9946 52.7932 39.1460 174.3346 74 E 4.3277 7.9727 120.1717 54.7661 30.1969 175.6028 75 P 4.2160 0.0000 0.0000 65.7872 31.6031 178.3804 76 D 4.1779 7.7293 116.4081 56.3961 40.8882 177.0039 77 F 5.0754 7.9242 116.1778 56.7824 39.6836 174.5512 78 A 4.1022 7.5901 124.8737 53.9861 18.1781 179.0307 79 G 3.9259 9.0295 110.8380 45.4829 0.0000 172.9898 80 V 4.2145 7.5452 119.0142 60.4821 33.4561 174.9204 81 N 4.5002 8.4496 124.5969 53.4573 39.0903 176.4921 82 T 4.2901 8.2720 118.5164 60.3656 67.9751 174.9696 83 S 4.5322 7.5699 120.1033 58.9610 65.7534 175.1901 84 T 3.6082 8.6434 119.5951 66.9110 68.1002 176.6068 85 E 3.9809 8.1414 118.8941 59.2570 29.6680 178.7672 86 F 4.0258 8.2132 121.5970 61.1289 39.4177 177.1853 87 L 3.5945 8.1494 118.4594 57.3950 41.2204 179.2865 88 A 3.8403 7.8140 120.8856 54.9601 18.2469 179.6312 89 K 3.2612 7.3982 118.1439 59.1877 32.1214 179.0342 90 V 3.3392 7.0480 118.5017 66.1506 31.2729 178.1411 91 I 3.6696 7.8405 119.3054 64.2171 36.8763 178.2047 92 A 3.9788 8.1019 121.7378 55.4816 18.2438 179.5139 93 D 4.3403 8.5159 117.7315 57.4866 40.8356 179.2739 94 R 3.9790 8.1047 118.7512 59.0714 29.9547 179.0191 95 L 4.0466 8.2764 118.8965 57.7422 41.5532 179.3708 96 A 3.9484 8.2597 120.8399 55.0910 18.4467 179.1178 97 E 3.9182 8.3401 117.8029 59.7260 29.6059 179.4354 98 R 3.9682 7.9054 117.5741 59.0577 30.1385 179.0204 99 V 3.5642 8.0709 118.4035 66.5474 31.3251 177.7512 100 H 4.5324 8.2706 113.9323 57.6818 28.6858 176.8003 101 K 4.4222 7.7205 118.3626 55.8656 32.5429 177.4154 102 G 3.8854 8.0092 108.2392 45.5279 0.0000 175.4873 103 A 4.1009 8.1311 123.0261 53.9697 18.4660 178.9620 104 L 4.4325 8.0316 114.3744 54.2273 42.1151 177.4850 105 G 4.0631 7.9040 104.4861 45.7138 0.0000 175.1723 106 E 4.0712 8.6915 119.1760 59.1506 29.4500 179.9712 107 G 3.6490 8.1160 105.0827 47.5334 0.0000 175.2159 108 A 4.1277 7.8226 122.4651 54.4967 18.1069 179.6139 109 R 4.1403 7.8602 116.0738 58.5722 30.1754 178.3973 110 G 3.7944 7.8361 103.8407 44.6722 0.0000 174.0935 111 L 4.2222 7.2363 121.2868 55.0898 42.4123 177.1551 112 A 4.2031 9.1745 124.7628 54.4979 20.0883 177.2871 113 G 4.4509 7.6337 100.4506 46.4991 0.0000 172.0471 114 L 5.1929 8.2101 118.6302 54.7220 44.4074 175.0941 115 T 4.9457 8.7522 116.1553 61.7649 72.6885 173.0579 116 V 4.7442 8.8052 125.5154 61.3553 34.5250 174.1698 117 T 5.0587 8.9619 124.4971 61.7337 71.5654 172.8362 118 L 5.2547 9.0047 126.5917 53.3212 44.6696 175.0527 119 H 5.2546 9.4077 121.9762 54.3873 29.7989 175.6356 120 E 4.2362 9.3083 125.9328 58.5935 29.9886 175.7585 121 S 4.6637 7.5762 110.4069 58.1476 65.0807 174.1130 122 H 4.5865 9.1907 114.5937 57.5194 28.5659 175.8931 123 V 4.5617 8.0164 111.3150 60.7568 33.3100 175.1553 124 A 4.5286 8.0300 123.1865 50.5276 21.9469 175.5234 125 W 5.6130 7.9465 117.9316 55.3774 31.3708 173.3443 126 A 4.9585 9.1640 120.0549 50.7413 22.4042 175.1803 127 S 5.1869 8.4731 112.4548 57.1828 66.7286 172.6748 128 Y 4.8334 9.0775 121.4535 56.0441 41.8865 173.6222 129 E 5.0276 8.2058 125.4886 54.6627 32.2689 175.2738 130 R 4.5302 8.4780 118.1195 54.7300 33.2811 174.2539 131 A 4.6448 8.4405 121.7881 51.6409 19.8512 177.7277 132 L 4.2428 8.3572 118.6078 54.9986 41.8586 177.0517 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 S 8.32 4.43 0.00 3.83 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 H 7.79 4.55 0.00 3.17 3.19 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.73 5.16 0.00 3.17 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 3 S 8.73 5.42 0.00 3.97 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 4 I 8.90 4.90 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.97 0.00 0.00 5 T 8.57 5.29 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 1.21 0.00 0.00 6 V 8.84 4.60 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 0.81 0.00 0.00 1.10 0.00 0.00 7 R 8.61 5.14 0.00 1.88 1.79 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 8 D 9.08 5.29 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 5.18 0.00 3.32 3.19 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.62 4.84 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.80 0.95 0.00 0.00 *12 I 8.32 4.38 1.92 0.00 0.00 0.56 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 0.28 0.99 0.00 0.00 13 A 8.22 5.18 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 14 H 8.33 4.88 0.00 2.99 3.20 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 9.16 4.74 0.00 3.92 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 16 F 8.36 5.00 0.00 2.35 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 10.18 4.71 0.00 1.71 1.85 0.00 3.26 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 18 G 9.04 4.03 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 0.00 0.00 0.00 19 D 8.91 4.44 0.00 2.71 2.73 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 20 V 7.79 3.47 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 -0.02 0.00 0.00 0.49 0.00 0.00 21 F 8.25 4.47 0.00 3.38 3.22 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 22 G 7.79 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 0.00 0.00 0.00 23 P 0.00 4.34 0.00 2.24 2.33 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 24 A 8.25 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.92 4.94 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 26 R 7.67 4.10 0.00 1.92 1.86 0.00 3.18 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 27 L 8.36 4.14 0.00 1.55 1.58 0.88 0.91 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 28 H 8.98 4.66 0.00 3.24 3.26 0.00 5.34 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.33 4.46 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 30 A 8.24 4.48 0.34 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 31 T 8.21 4.39 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 1.25 0.00 0.00 32 F 8.70 5.28 0.00 3.01 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 33 L 8.90 4.68 0.00 1.66 1.59 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 V 9.16 4.75 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 1.00 0.00 0.00 1.03 0.00 0.00 35 D 9.40 5.45 0.00 2.58 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 36 A 9.01 4.86 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 37 T 8.82 4.97 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 1.24 0.00 0.00 38 F 9.37 5.31 0.00 2.92 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 39 R 8.95 5.46 0.00 1.98 2.03 0.00 2.75 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 40 R 8.97 4.95 0.00 1.90 2.07 0.00 2.88 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 41 E 8.99 4.21 0.00 2.03 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 0.00 2.29 2.34 0.00 42 Q 7.78 4.79 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 43 L 7.96 3.90 0.00 1.34 1.33 0.69 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.50 4.69 0.00 2.84 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 45 E 8.59 3.96 0.00 2.07 2.11 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 2.25 2.30 0.00 46 D 8.35 4.54 0.00 2.75 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 47 N 8.19 4.18 0.00 2.79 2.87 0.00 0.00 6.87 7.47 0.00 0.00 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 I 7.42 4.63 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 1.36 0.99 0.87 0.00 0.00 49 V 8.39 3.56 2.11 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 0.94 0.00 0.00 0.97 0.00 0.00 50 V 7.19 4.25 1.85 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 0.31 0.00 0.00 0.61 0.00 0.00 51 D 8.63 4.24 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 3.69 1.84 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 1.57 1.40 0.90 0.00 0.00 53 G 8.07 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 0.00 0.00 0.00 54 L 8.34 3.99 0.00 1.77 1.66 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.14 3.80 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 56 T 8.11 3.84 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 1.28 0.00 0.00 57 Q 8.20 3.95 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 E 8.74 3.99 0.00 2.05 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 2.48 2.45 0.00 59 L 8.37 4.10 0.00 1.93 1.82 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.54 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.08 4.01 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 62 V 8.02 3.69 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 1.04 0.00 0.00 1.03 0.00 0.00 63 V 8.28 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 0.81 0.00 0.00 1.02 0.00 0.00 64 G 8.42 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.71 3.96 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 66 L 7.86 4.56 0.00 1.78 1.79 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.62 4.27 0.00 2.77 2.74 0.00 0.00 7.04 7.44 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 68 Y 8.11 3.64 0.00 3.21 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 69 R 7.31 4.66 0.00 2.09 1.83 0.00 3.32 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 70 N 8.42 5.04 0.00 2.72 2.73 0.00 0.00 6.95 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 71 L 9.02 4.36 0.00 1.74 1.84 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.32 4.41 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.79 0.00 2.73 2.84 0.00 0.00 7.02 7.70 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 74 E 7.97 4.33 0.00 2.41 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 0.00 2.59 2.58 0.00 75 P 0.00 4.22 0.00 2.09 2.07 0.00 3.53 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 76 D 7.73 4.18 0.00 1.58 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 0.00 0.00 0.00 77 F 7.92 5.08 0.00 3.15 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 78 A 7.59 4.10 1.30 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 0.00 0.00 79 G 9.03 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 0.00 0.00 0.00 80 V 7.55 4.21 2.13 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 0.08 0.00 0.00 0.97 0.00 0.00 81 N 8.45 4.50 0.00 2.66 2.66 0.00 0.00 7.00 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 82 T 8.27 4.29 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 0.93 0.00 0.00 83 S 7.57 4.53 0.00 4.21 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 84 T 8.64 3.61 4.30 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 1.20 0.00 0.00 85 E 8.14 3.98 0.00 2.18 2.22 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 2.40 2.33 0.00 86 F 8.21 4.03 0.00 3.12 3.18 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 87 L 8.15 3.59 0.00 1.52 1.40 0.81 0.49 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 88 A 7.81 3.84 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 89 K 7.40 3.26 0.00 0.79 1.32 0.00 0.82 0.00 0.00 1.12 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.99 0.52 7.81 90 V 7.05 3.34 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 1.04 0.00 0.00 0.26 0.00 0.00 91 I 7.84 3.67 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 0.89 0.00 0.00 92 A 8.10 3.98 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 93 D 8.52 4.34 0.00 2.67 2.73 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 94 R 8.10 3.98 0.00 2.06 1.99 0.00 3.16 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 95 L 8.28 4.05 0.00 1.89 1.84 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.26 3.95 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 97 E 8.34 3.92 0.00 2.27 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 0.00 2.34 2.40 0.00 98 R 7.91 3.97 0.00 2.07 1.98 0.00 3.23 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 99 V 8.07 3.56 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 1.00 0.00 0.00 1.06 0.00 0.00 100 H 8.27 4.53 0.00 3.30 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.72 4.42 0.00 1.78 1.85 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 102 G 8.01 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 0.00 103 A 8.13 4.10 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 0.00 104 L 8.03 4.43 0.00 1.53 1.51 0.92 0.65 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 0.00 105 G 7.90 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 0.00 106 E 8.69 4.07 0.00 1.98 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 2.39 2.31 0.00 107 G 8.12 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 0.00 0.00 0.00 108 A 7.82 4.13 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 0.00 109 R 7.86 4.14 0.00 1.91 2.04 0.00 3.17 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 110 G 7.84 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 0.00 111 L 7.24 4.22 0.00 1.77 1.80 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.17 4.20 1.30 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 0.00 0.00 113 G 7.63 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 5.19 0.00 1.52 1.56 0.85 0.68 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 0.00 115 T 8.75 4.95 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 1.21 0.00 0.00 116 V 8.81 4.74 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 1.02 0.00 0.00 0.85 0.00 0.00 117 T 8.96 5.06 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 1.20 0.00 0.00 118 L 9.00 5.25 0.00 1.44 1.40 0.80 -0.03 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 0.00 119 H 9.41 5.25 0.00 3.09 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.31 4.24 0.00 2.34 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 0.00 2.38 2.32 0.00 121 S 7.58 4.66 0.00 4.12 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 0.00 122 H 9.19 4.59 0.00 3.36 3.48 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.02 4.56 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 0.52 0.00 0.00 0.91 0.00 0.00 124 A 8.03 4.53 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 0.00 125 W 7.95 5.61 0.00 3.29 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 0.00 126 A 9.16 4.96 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 0.00 127 S 8.47 5.19 0.00 3.93 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 0.00 128 Y 9.08 4.83 0.00 2.95 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 0.00 129 E 8.21 5.03 0.00 1.63 1.64 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 2.11 2.15 0.00 130 R 8.48 4.53 0.00 1.78 1.66 0.00 3.09 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 131 A 8.44 4.64 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 0.00 132 L 8.36 4.24 0.00 1.80 1.62 1.04 1.01 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 * Residues marked with a * may have inaccurate shift predictions.