NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3178 8.4449 121.4514 56.1537 30.6445 174.6472 3 Y 4.3367 8.6441 124.2006 55.1440 39.5503 173.9717 4 K 4.3030 8.4023 126.3992 56.3013 34.1323 175.6201 5 S 4.6521 8.0174 117.5862 56.8885 65.4832 174.3814 6 S 4.3680 8.3509 117.0334 57.2686 63.6661 172.2493 7 P 4.4976 0.0000 0.0000 62.7299 31.7831 177.0706 8 K 4.2466 9.2732 120.3712 58.4094 32.9652 179.3576 9 R 3.7249 8.4415 119.5564 59.3745 29.8052 176.5652 10 P 4.2206 0.0000 0.0000 65.5782 31.2731 178.2954 11 Y 3.9736 8.2682 115.8562 60.9200 37.8036 178.1546 12 L 4.2970 8.0812 119.5978 57.6245 41.7658 179.1091 13 L 4.3625 8.4703 120.8394 58.5062 42.0602 179.3628 14 R 4.0022 8.2180 117.7613 58.9029 29.8341 179.0031 15 A 4.0732 8.2281 120.7832 55.6369 18.4820 179.4028 16 Y 3.9903 8.5674 115.3455 61.0760 37.8026 178.0421 17 Y 4.0635 8.6975 120.9598 60.9551 38.9481 177.9709 18 D 4.4293 8.6022 119.8580 57.0758 40.9977 178.6118 19 W 4.0933 8.5613 128.9948 60.3667 30.6409 177.9396 20 L 3.8045 8.6078 119.3046 57.9756 41.1660 179.8187 21 V 3.3698 7.7447 118.2536 65.9784 31.1775 177.7753 22 D 4.3558 8.2463 118.1041 56.3994 40.5789 177.3293 23 N 4.3504 6.9846 114.6747 52.0745 38.6440 175.1204 24 S 3.5814 7.2204 114.2915 59.4198 60.9741 171.8758 25 F 4.7677 7.6725 118.6444 57.1690 40.4806 175.6614 26 T 4.4539 9.1686 118.5142 61.4966 69.8493 172.6464 27 P 4.8081 0.0000 0.0000 62.8793 32.7726 174.6791 28 Y 5.1685 8.8799 123.1267 55.9212 40.5095 174.3117 29 L 5.0476 8.9600 126.3334 53.3160 44.7536 174.9571 30 V 4.6407 8.8872 127.0493 61.7358 33.2400 174.6308 31 V 4.8285 8.8648 127.9327 61.1549 35.1242 174.1931 32 D 5.0439 9.1334 127.5528 52.9783 40.9364 176.6525 33 A 4.3236 8.9299 128.9710 53.6502 18.5512 178.2016 34 T 4.2505 8.1137 105.5120 62.4811 69.7765 175.0272 35 Y 4.0344 7.8432 124.7844 57.1786 39.3366 175.1622 36 L 4.1257 8.0173 127.8056 56.2579 42.1357 177.6614 37 G 4.1234 8.9164 111.4268 44.9985 0.0000 173.8517 38 V 3.8659 7.3621 120.0919 63.1837 32.3615 175.2749 39 N 4.9521 9.5819 126.7168 51.9508 40.6417 173.1156 40 V 4.6906 7.9671 117.1747 58.5159 36.8211 173.5598 41 P 4.2129 0.0000 0.0000 62.4679 30.8776 177.9794 42 V 3.5926 8.3913 118.7370 64.1547 31.6177 178.3918 43 E 3.8885 7.9279 115.8955 58.1475 29.3970 176.8023 44 Y 4.6007 7.6572 116.2824 57.6370 38.5292 175.5674 45 V 4.1469 7.6078 121.0602 61.9492 32.5315 175.2093 46 K 4.5038 8.9475 127.6461 55.7788 34.5632 175.6983 47 D 4.4927 9.8518 125.9375 55.5463 38.5955 174.7337 48 G 3.9835 8.3983 104.4993 45.7796 0.0000 173.4162 49 Q 5.2683 8.0356 117.9231 53.9886 33.3159 174.1919 50 I 4.9325 8.6006 120.1936 59.4654 41.8955 173.7646 51 V 4.8300 8.5308 128.3080 61.2247 33.2675 174.5724 52 L 4.7160 8.7913 127.6202 52.7962 45.2219 175.0612 53 N 4.8009 8.4226 121.5761 52.5601 39.4229 174.1479 54 L 4.4559 8.7345 126.6172 54.3641 42.1420 177.3237 55 S 4.2566 8.7186 115.1187 57.9956 63.4811 175.2518 56 A 4.0724 8.4662 123.3270 55.1796 18.1600 179.8165 57 S 4.2384 8.0392 111.0865 60.4277 63.5719 175.3353 58 A 4.4501 7.6148 122.4316 51.4704 19.3463 176.4619 59 T 4.9506 7.0121 105.8697 59.3874 72.0784 173.6029 60 G 4.1306 8.8668 110.9460 45.0856 0.0000 172.7349 61 N 4.2620 8.9136 119.1055 53.9365 36.1740 174.8225 62 L 4.4256 7.8844 118.8019 55.3849 43.4093 176.3947 63 Q 4.5428 9.5104 125.6009 54.2309 31.9391 174.6774 64 L 5.0987 8.4858 124.5882 53.0139 42.0312 176.1942 65 T 4.1510 8.0691 114.3960 59.6522 70.8762 175.5840 66 N 4.3159 8.2698 117.7311 55.4931 38.6221 175.9909 67 D 4.8236 7.4609 115.9218 54.6695 42.6970 175.4035 68 F 4.8734 7.2808 112.7364 56.1543 41.9054 172.8441 69 I 5.0934 8.7346 120.2923 59.6970 39.9504 174.9098 70 Q 5.1813 9.0311 126.8506 54.8332 33.1070 173.2357 71 F 5.2183 8.1713 118.5655 56.9074 41.8240 171.9937 72 N 5.4829 9.0723 116.8356 52.1182 40.9505 174.2438 73 A 4.9690 8.9571 122.0838 51.2059 23.5037 175.0441 74 R 5.0709 8.2728 118.0375 54.5389 32.3114 176.1984 75 F 4.3869 8.9509 122.0382 56.3958 41.2950 175.4204 76 K 3.9588 9.8688 125.5913 57.4280 29.4734 176.6800 77 G 3.9329 8.5539 106.2487 45.1836 0.0000 173.9703 78 V 4.2833 7.7743 121.1431 61.3009 33.1974 174.7788 79 S 4.9657 8.7165 123.2966 58.3459 63.1627 173.2603 80 R 4.7892 9.2463 125.0413 54.6546 34.9462 173.4199 81 E 4.8240 8.7328 122.8722 55.1833 30.9315 175.0934 82 L 4.8681 8.6329 126.7315 53.1046 44.9460 174.8002 83 Y 4.9362 8.7001 122.7452 55.9368 42.1687 174.0387 84 I 4.5194 8.3937 127.3307 57.9481 40.2944 174.1506 85 P 4.9763 0.0000 0.0000 61.7636 33.1756 180.0503 *87 G 2.5824 8.9040 114.0574 45.7094 0.0000 172.7092 88 A 3.9486 6.8826 120.3049 52.6576 19.9351 176.9736 89 A 4.3710 7.4292 117.7792 51.8299 18.2249 177.2028 90 L 4.5428 8.9601 123.3899 57.2587 43.0906 176.9405 91 A 3.9110 7.6570 117.3477 51.2128 22.7773 175.0703 92 I 5.1758 7.9369 119.1141 59.8469 41.8752 173.5621 93 Y 5.4026 8.6091 125.7454 55.7036 42.3366 173.2843 94 A 4.5004 9.0779 122.6486 51.3169 19.0644 178.5311 95 R 3.5176 8.2744 124.2256 59.5752 30.0425 177.9119 96 E 4.1390 8.2847 117.4853 59.0000 29.7126 177.4141 97 N 4.8144 7.4722 111.6111 51.7326 38.7035 175.4848 98 G 3.7283 8.8033 106.2729 46.0182 0.0000 173.7512 99 D 4.5249 7.5780 120.1824 53.2400 42.6074 175.5317 100 G 4.7052 7.9011 114.4560 46.2645 0.0000 170.5677 101 V 3.5768 7.4688 123.6172 60.6999 33.5935 173.2823 *103 F 4.8640 8.4595 117.2324 57.4174 40.0149 174.6576 104 E 4.3311 8.7187 123.6746 55.2299 30.1938 175.1606 105 P 4.4909 0.0000 0.0000 62.8874 32.1210 176.4339 106 E 4.5565 8.6277 120.0499 54.7335 32.3829 175.9128 107 E 4.2497 8.9890 124.2921 58.9745 30.0510 179.8553 108 I 3.7830 7.7432 118.9251 64.6524 36.7896 177.5664 109 Y 4.6360 7.8559 116.3433 60.3716 37.7131 177.6288 110 D 4.6319 8.3500 120.8284 57.3176 40.8685 178.5056 111 E 3.9953 8.1657 117.3960 59.1354 29.6505 177.7431 112 L 4.3901 7.9557 116.2573 55.4229 42.3129 177.5649 113 N 4.2414 7.6448 118.7899 52.4989 36.6949 173.4937 114 I 4.5306 7.1480 119.9363 58.5750 41.2860 175.1115 115 E 4.0364 8.6581 125.1852 55.4450 29.6128 174.9617 116 P 4.6017 0.0000 0.0000 61.6899 32.5578 175.2380 117 D 4.6118 8.3786 119.9049 54.1680 41.2047 176.8625 118 T 4.3493 8.4338 112.8562 61.2595 70.3093 173.9359 119 E 4.6132 7.7109 121.3071 54.5406 31.5810 175.7265 120 Q 4.2328 8.2348 120.3903 54.8493 29.6924 174.7286 121 P 4.4058 0.0000 0.0000 63.0637 31.3080 176.6413 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 E 8.44 4.32 0.00 1.93 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 0.00 2.20 2.37 0.00 3 Y 8.64 4.34 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 4 K 8.40 4.30 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 5 S 8.02 4.65 0.00 3.94 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 6 S 8.35 4.37 0.00 4.06 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 7 P 0.00 4.50 0.00 2.11 1.71 0.00 3.69 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 1.81 1.80 0.00 8 K 9.27 4.25 0.00 1.87 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.34 7.81 9 R 8.44 3.72 0.00 2.17 2.01 0.00 2.49 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.67 0.00 10 P 0.00 4.22 0.00 2.03 2.07 0.00 3.99 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 11 Y 8.27 3.97 0.00 3.26 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 12 L 8.08 4.30 0.00 2.06 2.10 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.47 4.36 0.00 1.50 1.73 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.22 4.00 0.00 1.91 1.98 0.00 3.07 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 15 A 8.23 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.57 3.99 0.00 3.37 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 17 Y 8.70 4.06 0.00 3.31 3.23 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 0.00 18 D 8.60 4.43 0.00 3.07 2.80 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 0.00 0.00 0.00 19 W 8.56 4.09 0.00 3.36 3.34 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 20 L 8.61 3.80 0.00 1.85 1.69 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.74 3.37 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 0.92 0.00 0.00 0.36 0.00 0.00 22 D 8.25 4.36 0.00 2.57 2.60 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 0.00 0.00 0.00 0.00 23 N 6.98 4.35 0.00 2.10 1.85 0.00 0.00 7.02 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 24 S 7.22 3.58 0.00 3.68 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 25 F 7.67 4.77 0.00 2.89 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 26 T 9.17 4.45 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 1.29 0.00 0.00 27 P 0.00 4.81 0.00 2.14 2.01 0.00 3.58 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 2.01 1.48 0.00 28 Y 8.88 5.17 0.00 1.93 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 0.00 0.00 0.00 0.00 29 L 8.96 5.05 0.00 1.74 1.53 1.09 0.82 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 30 V 8.89 4.64 2.17 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 1.02 0.00 0.00 1.18 0.00 0.00 31 V 8.86 4.83 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 0.89 0.00 0.00 0.97 0.00 0.00 32 D 9.13 5.04 0.00 2.85 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 33 A 8.93 4.32 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 34 T 8.11 4.25 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 35 Y 7.84 4.03 0.00 3.34 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 36 L 8.02 4.13 0.00 1.55 1.53 0.84 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.92 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 0.00 0.00 0.00 0.00 38 V 7.36 3.87 2.26 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 0.76 0.00 0.00 1.10 0.00 0.00 39 N 9.58 4.95 0.00 2.84 2.73 0.00 0.00 6.61 7.27 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 40 V 7.97 4.69 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 0.77 0.00 0.00 0.93 0.00 0.00 41 P 0.00 4.21 0.00 2.12 1.83 0.00 3.27 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.63 0.00 42 V 8.39 3.59 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 0.74 0.00 0.00 0.86 0.00 0.00 43 E 7.93 3.89 0.00 1.70 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 1.47 1.62 0.00 44 Y 7.66 4.60 0.00 3.11 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 45 V 7.61 4.15 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 0.75 0.00 0.00 0.95 0.00 0.00 46 K 8.95 4.50 0.00 1.76 1.64 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 47 D 9.85 4.49 0.00 2.86 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 48 G 8.40 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 49 Q 8.04 5.27 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 50 I 8.60 4.93 1.94 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 1.21 1.96 0.97 0.00 0.00 51 V 8.53 4.83 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 1.05 0.00 0.00 52 L 8.79 4.72 0.00 1.64 1.65 1.14 0.56 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 53 N 8.42 4.80 0.00 2.48 2.58 0.00 0.00 6.99 7.78 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 54 L 8.73 4.46 0.00 1.69 1.72 0.95 0.39 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 55 S 8.72 4.26 0.00 3.95 4.07 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 56 A 8.47 4.07 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 57 S 8.04 4.24 0.00 4.02 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 58 A 7.61 4.45 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 59 T 7.01 4.95 4.14 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 0.70 0.00 0.00 60 G 8.87 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 0.00 0.00 0.00 61 N 8.91 4.26 0.00 2.93 2.93 0.00 0.00 6.95 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 62 L 7.88 4.43 0.00 1.59 1.54 0.78 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 9.51 4.54 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 64 L 8.49 5.10 0.00 1.28 1.39 0.25 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.07 4.15 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 0.68 0.00 0.00 66 N 8.27 4.32 0.00 2.64 2.90 0.00 0.00 6.73 8.06 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 67 D 7.46 4.82 0.00 2.72 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 68 F 7.28 4.87 0.00 2.78 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 69 I 8.73 5.09 1.91 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 1.06 0.58 1.11 0.00 0.00 70 Q 9.03 5.18 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 71 F 8.17 5.22 0.00 3.31 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 72 N 9.07 5.48 0.00 2.79 2.81 0.00 0.00 7.09 7.45 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 73 A 8.96 4.97 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 74 R 8.27 5.07 0.00 1.60 1.82 0.00 3.13 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 75 F 8.95 4.39 0.00 3.11 2.77 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 76 K 9.87 3.96 0.00 2.03 1.97 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.65 1.58 7.81 77 G 8.55 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 78 V 7.77 4.28 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 1.04 0.00 0.00 0.99 0.00 0.00 79 S 8.72 4.97 0.00 3.96 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 80 R 9.25 4.79 0.00 1.81 1.72 0.00 3.22 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 81 E 8.73 4.82 0.00 1.95 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 2.18 2.44 0.00 82 L 8.63 4.87 0.00 0.77 1.26 1.03 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.70 4.94 0.00 2.92 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 84 I 8.39 4.52 1.80 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.81 0.00 0.00 85 P 0.00 4.98 0.00 2.02 1.81 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.21 0.00 *87 G 8.90 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 0.00 0.00 0.00 88 A 6.88 3.95 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 89 A 7.43 4.37 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 90 L 8.96 4.54 0.00 1.69 1.77 0.96 0.73 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 91 A 7.66 3.91 1.15 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 92 I 7.94 5.18 2.04 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.87 0.92 0.00 0.00 93 Y 8.61 5.40 0.00 3.27 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 94 A 9.08 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.27 3.52 0.00 0.67 1.50 0.00 3.11 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.00 96 E 8.28 4.14 0.00 2.12 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 2.43 2.39 0.00 97 N 7.47 4.81 0.00 2.80 2.94 0.00 0.00 6.15 7.51 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 98 G 8.80 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 99 D 7.58 4.52 0.00 2.84 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 0.00 100 G 7.90 4.71 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 0.00 101 V 7.47 3.58 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 0.00 0.00 -0.57 0.00 0.00 0.56 0.00 0.00 *103 F 8.46 4.86 0.00 3.10 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 0.00 104 E 8.72 4.33 0.00 2.04 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 2.36 2.31 0.00 105 P 0.00 4.49 0.00 2.09 2.06 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 106 E 8.63 4.56 0.00 2.08 1.68 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 2.32 2.58 0.00 107 E 8.99 4.25 0.00 2.02 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 2.44 2.35 0.00 108 I 7.74 3.78 1.41 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.75 0.00 0.00 109 Y 7.86 4.64 0.00 3.19 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 0.00 110 D 8.35 4.63 0.00 2.88 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 0.00 111 E 8.17 4.00 0.00 2.12 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 2.33 2.52 0.00 112 L 7.96 4.39 0.00 1.94 1.94 1.05 0.87 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 0.00 113 N 7.64 4.24 0.00 2.73 2.68 0.00 0.00 6.90 7.40 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 0.00 114 I 7.15 4.53 1.89 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 1.29 0.78 0.91 0.00 0.00 115 E 8.66 4.04 0.00 1.90 1.86 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 2.28 2.32 0.00 116 P 0.00 4.60 0.00 2.04 1.98 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 117 D 8.38 4.61 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.35 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 0.00 119 E 7.71 4.61 0.00 1.93 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 2.19 2.22 0.00 120 Q 8.23 4.23 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 121 P 0.00 4.41 0.00 2.02 1.95 0.00 3.69 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 2.01 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.