NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2676 8.3444 118.8241 55.9344 29.6766 177.7699 4 E 4.0564 9.2324 113.9920 55.1965 30.6614 173.9229 5 T 4.5008 8.5128 123.9895 62.0041 72.6325 175.4137 6 A 3.9605 8.3434 124.5724 55.3815 18.4379 179.9477 7 L 3.9807 7.9444 118.4643 58.1248 42.2471 179.1609 8 G 3.6146 8.0890 104.9735 47.9141 0.0000 175.3554 9 A 4.0165 8.2438 123.4455 54.7280 18.3121 179.6290 10 A 3.9788 8.0890 119.3925 54.7651 18.3087 179.6746 11 L 3.8403 8.0772 119.1251 58.3206 42.2438 179.0715 12 K 3.8658 8.0466 118.3651 59.7789 32.0384 179.3209 13 S 4.1137 8.1210 114.7681 61.5236 62.5599 176.5278 14 A 3.9262 7.8767 122.0523 55.2592 18.2196 179.3091 15 V 3.6901 7.8011 115.5024 66.5630 31.6308 177.9635 16 Q 4.1722 8.0557 116.4668 58.5318 29.8116 178.4715 17 T 4.2551 7.3928 111.3926 60.3561 65.2727 174.4317 *19 S 4.1903 7.2766 115.8831 58.5073 64.2801 174.1288 20 K 3.9296 8.6881 127.3259 59.4503 32.0347 179.1891 21 K 3.9176 7.9800 119.4470 59.3631 31.9365 178.6446 22 K 3.9556 7.8183 118.9017 59.4847 32.2489 178.2221 23 Q 4.1005 8.6824 119.9018 59.5485 29.2738 178.2674 24 T 3.9866 8.0196 116.7576 66.3344 68.4498 177.4552 25 E 4.2926 7.8589 118.6637 56.6216 29.3295 179.1562 *27 I 3.3739 7.8047 121.2258 61.2213 39.4197 178.0668 28 A 3.8482 7.7475 121.2777 55.2877 18.1878 179.3335 29 D 4.3775 8.1842 117.4260 57.7422 40.8143 178.3744 30 H 3.9991 8.2053 118.0735 59.5192 29.8761 177.1380 31 I 3.7066 7.8514 121.4620 64.7033 36.7025 178.1877 32 Y 4.3435 8.1377 116.4139 60.3806 37.7044 178.1624 33 G 3.7248 7.9045 106.5065 47.1662 0.0000 175.3051 34 K 4.0980 7.9744 120.9089 56.4297 32.6978 176.0602 35 Y 4.7694 7.4111 117.8032 56.1098 39.2040 176.1986 36 D 4.4782 8.9072 125.9398 57.5187 40.9626 179.1405 37 V 3.4846 7.9255 112.4602 64.2012 31.5300 178.5034 38 F 3.7091 8.0981 117.1052 60.2011 38.7694 177.6516 39 K 4.3036 8.2238 117.9820 58.9076 32.0399 178.0071 40 R 4.5573 8.1507 115.6250 54.4703 31.5996 176.1704 41 F 3.7561 7.5775 116.7043 58.4843 36.8503 175.2586 42 K 4.4771 7.8869 118.5103 54.4848 34.1137 177.1687 43 P 4.3190 0.0000 0.0000 63.4922 32.2525 175.3230 44 L 4.9086 8.7785 124.5442 53.4044 42.5488 176.8249 45 A 4.1799 8.7362 124.9142 51.5070 19.7349 176.7740 46 L 3.7423 8.5378 121.3034 57.1622 42.7040 177.6376 47 G 3.9508 9.0015 112.3761 47.1277 0.0000 174.9015 48 I 3.8321 7.4966 121.5952 63.5658 37.3926 177.4617 49 D 4.3692 8.1632 119.7973 56.9979 38.9402 178.8410 50 Q 4.0691 8.0309 119.4341 58.3092 28.7396 178.4072 51 D 4.3403 7.9475 119.5931 57.2417 40.8570 178.7957 52 L 3.9187 8.2300 119.8713 57.7558 41.3941 179.5878 53 I 3.6867 7.6072 118.2571 64.4263 37.1586 178.0351 54 A 4.1106 7.9607 120.0344 55.0784 18.3068 179.1438 55 A 4.2672 7.9881 117.6086 53.1048 19.2436 177.7695 56 L 5.2802 7.9922 117.1382 51.6806 41.4683 175.4915 57 P 4.2978 0.0000 0.0000 64.6524 32.5560 178.7555 58 Q 4.1563 7.3830 116.9202 56.8391 28.5716 174.9781 59 Y 5.3137 7.2343 115.1320 55.5681 42.1120 175.2547 60 D 4.5029 10.3290 124.2499 54.0557 42.1445 177.5818 61 A 4.0028 8.9055 126.2621 55.5638 18.4083 179.5192 62 A 3.9722 7.9031 118.5649 55.2206 18.6079 179.5869 63 L 4.0614 7.8415 116.7820 57.3002 41.7342 179.5259 64 I 3.5844 7.7566 120.0726 64.2866 36.9738 178.1491 65 A 3.9446 7.9840 121.6052 55.0248 18.0573 179.6849 66 R 3.7710 7.8336 116.7831 59.5294 30.2042 178.9345 67 V 3.5134 7.7349 117.9821 65.8863 31.5525 177.5219 68 L 3.8787 8.1091 120.1678 58.3233 41.6422 178.9326 69 A 4.0140 7.9649 119.6302 55.0389 18.4303 178.8544 70 N 4.4024 8.4738 115.4790 56.8441 38.5012 177.0894 71 H 4.3266 8.2947 119.4297 59.5105 29.8782 176.7712 72 C 3.8497 7.8843 115.7268 61.2250 28.0478 175.1662 73 R 4.2324 7.3855 119.0334 56.4299 30.6959 177.1279 74 R 4.0440 7.3772 118.8663 55.3618 31.0209 175.5901 75 P 4.2253 0.0000 0.0000 66.0970 31.4410 178.8528 76 R 3.8166 7.8106 116.6363 59.3399 29.7603 177.8758 77 Y 4.2227 7.9341 118.8600 60.7960 38.9443 177.4329 78 L 3.8618 7.9464 119.9756 57.8279 41.6982 179.5347 79 K 3.8858 8.6508 119.5369 59.3153 32.0510 178.7878 80 A 3.9606 7.7006 120.8402 55.0223 18.0515 179.6425 81 L 3.8135 7.6016 116.6520 57.7159 41.7019 179.2811 82 A 4.0962 7.9882 120.4386 54.9290 18.3100 179.3640 83 R 3.9433 7.6340 117.0467 59.6156 30.6714 177.7428 84 G 3.7056 8.1769 105.7907 45.9362 0.0000 172.5928 85 G 3.7686 8.4568 106.9340 45.0195 0.0000 172.7635 86 K 4.3918 8.2605 119.5963 56.4944 33.0798 177.1080 87 R 4.9717 8.2706 121.3399 55.2010 32.8270 175.4271 88 F 5.3620 9.1853 119.5379 55.9204 43.0856 175.4160 89 D 5.0069 8.7923 122.4961 51.8585 41.2281 177.0237 90 L 3.9473 8.4220 118.0319 57.6143 40.1345 177.9476 91 N 4.8352 8.7180 115.4687 52.4055 38.4861 174.5806 92 N 4.5484 8.1408 114.8967 54.9045 38.1994 173.9820 93 R 4.6038 7.4790 112.6872 53.2589 32.8262 175.8841 94 F 4.3298 7.9609 118.9362 58.4657 39.1738 176.0210 95 K 4.1413 9.1206 126.5049 56.7109 33.3422 175.9388 96 G 3.7759 9.7774 115.9902 44.4680 0.0000 169.2486 97 E 4.7984 7.9645 115.4236 55.1342 32.9566 174.4929 98 V 4.2544 8.4222 121.2100 62.2559 32.0503 176.0522 99 T 4.1502 9.0024 118.6112 60.8197 69.9002 173.8544 100 P 4.2019 0.0000 0.0000 65.8149 31.3810 178.6434 101 E 3.9056 8.0682 117.4921 59.3672 29.7096 178.5181 102 E 3.9846 8.1901 118.6725 59.3931 29.4311 179.1862 103 Q 4.0442 8.3132 119.4555 59.2015 29.1060 178.1574 104 A 3.9905 8.2272 121.9545 55.2181 18.1531 179.7356 105 I 3.7139 7.5671 117.1333 64.3968 37.4573 178.2339 106 A 4.1809 8.0509 121.7315 55.2445 17.9965 179.6323 107 Q 4.0067 8.1719 115.7883 58.6488 28.8726 177.9441 108 N 4.7696 7.6733 114.1051 52.2385 39.5282 174.7907 109 H 4.3126 7.7752 122.7629 55.2857 30.8707 173.8149 110 P 4.2127 0.0000 0.0000 66.2536 31.0958 178.7066 111 F 4.0405 8.6761 115.5871 60.1942 38.8086 177.8110 112 V 3.6541 7.8159 117.7704 65.8303 30.9809 177.6773 113 Q 3.9755 8.2401 117.9642 59.3207 28.5619 178.6722 114 Q 3.9116 8.1829 119.9906 59.1977 29.0545 177.9731 115 A 4.1602 8.3573 121.6387 55.4726 18.3256 179.6707 116 L 3.9424 8.6517 117.6125 57.9476 41.4284 179.7631 117 Q 4.0064 7.5982 116.5999 58.8073 28.9277 178.5190 118 Q 4.0869 8.2324 119.1461 59.1124 28.5648 178.2109 119 Q 3.9591 8.2083 120.9314 59.4497 28.8431 178.7168 120 S 4.0549 7.9686 114.3516 60.4447 63.1827 175.7660 121 A 4.1958 7.7003 123.0546 53.9373 18.4926 178.6921 122 Q 4.1548 7.9640 114.7851 57.7089 29.1848 177.4853 123 A 4.1543 7.2803 121.1000 54.5254 18.6606 177.1051 124 A 4.1162 7.6658 123.7966 52.5228 18.5300 177.0649 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 3 Q 8.34 4.27 0.00 2.18 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 4 E 9.23 4.06 0.00 2.03 1.88 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 2.27 2.39 0.00 5 T 8.51 4.50 4.29 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 1.25 0.00 0.00 6 A 8.34 3.96 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 7 L 7.94 3.98 0.00 1.68 1.67 0.91 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 8 G 8.09 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 9 A 8.24 4.02 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 10 A 8.09 3.98 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 11 L 8.08 3.84 0.00 1.83 1.87 0.92 0.50 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 12 K 8.05 3.87 0.00 1.99 1.87 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 13 S 8.12 4.11 0.00 4.00 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 14 A 7.88 3.93 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 15 V 7.80 3.69 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 0.87 0.00 0.00 0.95 0.00 0.00 16 Q 8.06 4.17 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.32 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 17 T 7.39 4.26 4.35 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 1.39 0.00 0.00 *19 S 7.28 4.19 0.00 3.91 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 20 K 8.69 3.93 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.50 7.81 21 K 7.98 3.92 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.49 7.81 22 K 7.82 3.96 0.00 1.80 1.95 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 23 Q 8.68 4.10 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 24 T 8.02 3.99 4.35 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 1.17 0.00 0.00 25 E 7.86 4.29 0.00 2.17 1.95 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 2.33 2.34 0.00 *27 I 7.80 3.37 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.13 0.63 0.00 0.00 28 A 7.75 3.85 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 0.00 0.00 29 D 8.18 4.38 0.00 2.72 2.76 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 30 H 8.21 4.00 0.00 3.33 3.47 0.00 5.87 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 31 I 7.85 3.71 1.51 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 -0.39 0.00 0.00 32 Y 8.14 4.34 0.00 3.00 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 33 G 7.90 3.72 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 0.00 0.00 0.00 34 K 7.97 4.10 0.00 1.29 1.22 0.00 1.45 0.00 0.00 1.11 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 1.00 7.81 35 Y 7.41 4.77 0.00 3.44 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 36 D 8.91 4.48 0.00 2.73 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 37 V 7.93 3.48 1.89 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 1.07 0.00 0.00 0.75 0.00 0.00 38 F 8.10 3.71 0.00 3.13 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 39 K 8.22 4.30 0.00 2.13 1.96 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.60 7.81 40 R 8.15 4.56 0.00 1.94 1.95 0.00 3.44 0.00 0.00 3.45 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 41 F 7.58 3.76 0.00 3.23 3.21 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 42 K 7.89 4.48 0.00 1.42 1.38 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.09 1.20 7.81 43 P 0.00 4.32 0.00 2.34 1.99 0.00 3.71 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 2.17 2.07 0.00 44 L 8.78 4.91 0.00 1.57 1.50 0.33 0.11 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 45 A 8.74 4.18 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 46 L 8.54 3.74 0.00 1.60 1.63 0.93 1.06 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 47 G 9.00 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 0.00 0.00 0.00 48 I 7.50 3.83 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.94 0.00 0.00 49 D 8.16 4.37 0.00 2.92 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 50 Q 8.03 4.07 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 51 D 7.95 4.34 0.00 2.83 2.67 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 52 L 8.23 3.92 0.00 1.79 1.63 0.71 0.39 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 53 I 7.61 3.69 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 1.45 0.54 0.91 0.00 0.00 54 A 7.96 4.11 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 55 A 7.99 4.27 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 56 L 7.99 5.28 0.00 1.82 1.76 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.30 0.00 2.17 2.28 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 58 Q 7.38 4.16 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 59 Y 7.23 5.31 0.00 2.91 2.69 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 60 D 10.33 4.50 0.00 2.59 2.61 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 61 A 8.91 4.00 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 62 A 7.90 3.97 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 63 L 7.84 4.06 0.00 1.67 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.76 3.58 2.00 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 1.38 0.84 0.84 0.00 0.00 65 A 7.98 3.94 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 R 7.83 3.77 0.00 2.04 2.08 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 67 V 7.73 3.51 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 0.78 0.00 0.00 0.90 0.00 0.00 68 L 8.11 3.88 0.00 1.71 1.77 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.96 4.01 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 70 N 8.47 4.40 0.00 3.01 2.94 0.00 0.00 6.63 8.49 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 71 H 8.29 4.33 0.00 3.31 3.48 0.00 5.78 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 72 C 7.88 3.85 0.00 2.92 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 73 R 7.39 4.23 0.00 1.96 1.90 0.00 3.12 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 74 R 7.38 4.04 0.00 2.10 1.87 0.00 3.33 0.00 0.00 3.53 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 75 P 0.00 4.23 0.00 2.16 2.24 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 76 R 7.81 3.82 0.00 1.46 1.07 0.00 2.74 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.35 0.00 77 Y 7.93 4.22 0.00 3.40 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 78 L 7.95 3.86 0.00 1.86 1.66 0.62 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.65 3.89 0.00 1.89 1.92 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 80 A 7.70 3.96 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 81 L 7.60 3.81 0.00 1.66 1.64 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.99 4.10 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 83 R 7.63 3.94 0.00 1.82 2.14 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 84 G 8.18 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.46 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.26 4.39 0.00 1.10 1.06 0.00 1.10 0.00 0.00 1.41 0.00 0.00 2.40 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.89 0.21 7.81 87 R 8.27 4.97 0.00 1.96 1.86 0.00 3.10 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 88 F 9.19 5.36 0.00 2.88 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 89 D 8.79 5.01 0.00 2.87 2.85 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 90 L 8.42 3.95 0.00 1.61 1.68 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.72 4.84 0.00 2.92 2.84 0.00 0.00 6.48 6.50 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 92 N 8.14 4.55 0.00 2.92 2.93 0.00 0.00 6.91 7.36 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 93 R 7.48 4.60 0.00 2.18 1.72 0.00 3.19 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 94 F 7.96 4.33 0.00 2.86 2.71 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 0.00 0.00 0.00 95 K 9.12 4.14 0.00 1.62 1.68 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 96 G 9.78 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 97 E 7.96 4.80 0.00 1.95 1.78 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 2.13 2.19 0.00 98 V 8.42 4.25 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 0.79 0.00 0.00 0.94 0.00 0.00 99 T 9.00 4.15 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 1.20 0.00 0.00 100 P 0.00 4.20 0.00 2.17 2.14 0.00 3.58 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 2.10 2.13 0.00 101 E 8.07 3.91 0.00 2.03 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 0.00 2.38 2.40 0.00 102 E 8.19 3.98 0.00 2.06 1.99 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 2.34 2.32 0.00 103 Q 8.31 4.04 0.00 2.18 2.25 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 2.61 0.00 104 A 8.23 3.99 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 0.00 105 I 7.57 3.71 2.02 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 1.47 0.59 0.96 0.00 0.00 106 A 8.05 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.17 4.01 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 108 N 7.67 4.77 0.00 2.68 2.86 0.00 0.00 6.98 9.28 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 0.00 109 H 7.78 4.31 0.00 3.47 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.21 0.00 2.12 2.00 0.00 3.49 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 2.09 2.17 0.00 111 F 8.68 4.04 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 0.00 112 V 7.82 3.65 2.38 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 1.08 0.00 0.00 0.98 0.00 0.00 113 Q 8.24 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 114 Q 8.18 3.91 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 115 A 8.36 4.16 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 0.00 116 L 8.65 3.94 0.00 1.88 1.72 0.91 0.92 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 0.00 117 Q 7.60 4.01 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 118 Q 8.23 4.09 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 119 Q 8.21 3.96 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 120 S 7.97 4.05 0.00 4.03 4.09 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 0.00 121 A 7.70 4.20 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 0.00 122 Q 7.96 4.15 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 123 A 7.28 4.15 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 0.00 124 A 7.67 4.12 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 * Residues marked with a * may have inaccurate shift predictions.