NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 E 4.1905 8.4449 121.4764 55.8306 31.7600 176.0206 0 F 4.1553 7.9383 117.8335 57.4710 40.3695 172.3991 1 M 4.9457 9.3842 120.1696 54.2342 36.2508 173.0566 2 I 4.8496 9.3473 126.6698 59.6823 40.0392 174.4279 3 I 4.5572 8.9203 128.2572 59.8103 39.6938 174.0880 4 Y 4.6024 8.7194 124.9827 56.2570 39.6420 174.6748 5 R 5.0075 8.5795 125.1503 54.0623 33.5222 174.4595 6 D 4.7144 9.2866 125.6874 54.3761 41.4611 176.4849 7 L 4.1403 9.1447 130.1730 58.3398 42.2103 178.5148 8 I 4.0265 8.4278 119.1848 63.5518 37.4593 177.1111 9 S 4.3760 8.2768 111.5134 58.3827 63.6520 174.6333 10 H 4.3089 8.6999 117.0146 56.0270 26.8608 174.6561 11 D 4.6726 7.7120 120.1373 54.0847 42.0079 175.2162 12 E 4.1511 8.7980 123.2452 56.8578 29.8293 175.7457 13 M 4.6512 8.8819 127.1507 56.9684 33.9113 175.6234 14 F 4.2795 6.9043 111.1697 56.3286 41.4454 172.2083 15 S 5.2668 8.6696 112.6938 56.1185 67.1163 172.8943 16 D 5.2192 8.9226 118.0900 53.9356 39.1322 177.2141 17 I 4.0914 7.4873 110.7926 61.9261 37.6547 174.2162 18 Y 4.7793 7.2735 118.2581 55.7253 41.5160 174.1115 19 K 4.5610 8.5851 122.4568 56.5438 33.2257 175.3275 20 I 5.0584 8.4540 128.1165 59.5820 39.7766 175.2473 21 R 4.6917 8.8114 125.0022 54.2268 34.2957 174.0287 22 E 4.8120 8.7306 124.0842 55.5675 31.4240 175.0690 23 I 4.6001 8.4979 119.5840 58.3848 42.0670 174.4246 24 A 3.7494 8.7747 120.9693 54.5057 15.6141 176.7072 25 D 4.5395 9.2424 112.4526 55.6977 38.9340 175.7908 26 G 4.0554 8.5145 105.9565 44.9034 0.0000 174.8967 27 L 4.3146 8.0858 122.0381 57.1975 42.5690 175.8543 28 C 5.4720 8.1619 114.3702 57.7526 32.9716 173.0309 29 L 5.0486 8.9211 120.5007 53.0421 44.2632 175.1677 30 E 4.9026 9.4267 125.6516 54.5363 31.7553 174.4672 31 V 4.5204 8.7875 127.9653 61.0811 33.5423 173.8736 32 E 4.5425 8.8300 130.0352 55.5676 30.4139 175.6973 33 G 4.4956 8.5855 115.3542 45.1517 0.0000 171.8685 34 K 4.8697 8.9194 117.9475 55.1289 37.1849 175.7131 35 M 4.6489 8.6431 122.9377 55.2770 33.0479 176.0318 36 V 4.3050 9.3612 123.6591 60.8945 34.4930 175.8242 37 S 5.2571 8.3855 125.8821 56.4463 62.1616 174.7160 38 R 4.4300 7.2068 124.2254 55.5432 31.2225 177.5351 *67 I 3.8950 7.2706 118.0651 61.1200 37.7968 176.1664 68 T 4.3624 8.4495 121.8836 62.9307 69.1469 174.6060 69 G 4.0920 7.5426 114.8648 44.4371 0.0000 172.2485 70 V 4.1520 7.4631 119.7604 61.9603 33.0884 176.4290 71 D 4.3979 8.8658 127.0769 56.8413 39.2442 178.9748 72 I 3.6460 7.4935 122.0860 63.2646 37.0922 178.3538 73 V 3.4726 7.4403 118.2496 66.3298 30.8963 177.8636 74 M 4.0785 8.0653 118.3779 58.4906 31.5741 178.5711 75 N 4.3782 8.5145 116.0971 55.5700 38.6697 175.6962 76 H 4.8505 7.6420 114.1013 54.9373 29.4169 173.6974 77 H 4.1366 7.5198 114.0737 56.7976 26.6877 175.1961 78 L 4.5756 7.9692 117.4109 55.0045 42.7563 177.4001 79 Q 4.8110 9.2399 121.5413 53.9850 31.2490 174.8720 80 E 3.6713 8.8675 125.3615 56.3570 30.5662 175.2624 81 T 4.7832 8.5390 120.3684 60.5732 71.1135 172.3582 82 S 4.8800 8.1014 115.0078 56.8469 66.0948 173.0633 83 F 4.8238 8.2776 118.5847 55.2737 42.9243 175.1811 84 T 4.5320 8.3769 113.9023 60.7917 71.3557 175.8885 85 K 2.6320 8.2875 122.7170 59.4465 32.0993 178.9640 86 E 3.9032 8.0432 118.1356 59.2015 29.4188 179.0731 87 A 4.0680 8.1106 121.0131 55.2970 18.4186 179.0728 88 Y 3.6190 8.3212 118.3258 60.4322 38.6374 177.9688 89 K 3.8131 8.3713 121.0141 59.4441 32.1376 178.6661 90 K 3.9069 7.8455 119.4820 59.4789 31.9661 178.0972 91 Y 3.9813 7.9801 120.0229 60.7816 38.8021 178.2722 92 I 3.2248 7.4722 114.1592 63.4027 37.5811 178.3606 93 K 3.8305 7.5107 120.4067 59.4687 31.8886 179.0514 94 D 4.2789 7.6731 119.0981 57.2837 40.2358 178.2486 95 Y 3.7584 7.9183 120.4958 60.8336 38.7007 177.7618 96 M 3.8845 8.2004 119.4861 58.4997 32.2722 178.3362 97 K 3.9832 8.0662 118.9952 59.2463 32.0092 179.4781 98 S 4.0631 7.7647 114.7981 61.3448 62.9716 176.6825 99 I 3.4534 7.2480 123.4736 63.6475 36.7126 178.1747 100 K 3.7191 8.1021 120.9751 59.3157 31.5073 179.0053 101 G 3.5968 7.9461 105.9895 47.7080 0.0000 175.8362 102 K 4.0056 7.5995 120.9077 59.0944 32.0026 179.5373 103 L 3.9422 7.7947 119.3349 57.7611 41.0327 179.3481 104 E 4.0475 8.2834 118.5364 58.9020 29.0431 179.0527 105 E 3.9605 7.4723 117.5341 59.0231 30.0696 177.8714 106 Q 4.4041 8.2461 115.9354 56.6685 30.9467 176.8995 107 R 4.7289 8.3670 118.9439 52.7606 32.0817 173.4757 108 P 4.2081 0.0000 0.0000 66.0627 31.2188 178.2020 109 E 4.0999 8.0664 115.2348 58.4308 30.0362 178.1690 110 R 4.1546 8.1299 119.6664 57.9421 30.0978 178.0593 111 V 3.6431 7.4917 118.3323 66.2175 31.4943 177.5448 112 K 3.9381 8.0804 118.7295 59.1805 32.1676 176.7868 113 P 4.2999 0.0000 0.0000 65.6262 31.1847 178.0189 114 F 4.1321 8.3892 120.4546 61.5438 39.3608 177.0387 115 M 3.8582 8.4756 118.5602 58.6013 31.7547 178.9734 116 T 3.9364 8.0806 116.0023 66.6034 68.5798 177.0933 117 G 3.5504 8.1978 107.4678 47.5248 0.0000 175.6179 118 A 3.7842 8.1751 123.2422 54.7597 18.4330 179.4924 119 A 3.8665 7.9099 119.2463 55.3514 18.4789 179.5371 120 E 3.9000 7.9730 117.3253 59.5065 29.6767 178.8432 121 Q 4.1216 8.5548 120.0709 59.0633 29.0333 178.1642 122 I 3.8518 8.1961 121.4867 64.1889 37.1680 178.1958 123 K 3.9517 8.0223 120.1898 59.7288 32.0819 178.3099 124 H 4.2384 8.3337 118.4250 59.3747 29.6266 177.3008 125 I 3.9010 8.0572 120.6162 64.5546 37.2168 178.0810 126 L 4.3004 8.3995 119.7223 57.9201 41.2354 179.5413 127 A 4.2067 8.1764 119.6722 54.0491 18.4839 177.8075 128 N 4.9132 7.8276 113.8467 52.8899 39.5200 176.3758 129 F 4.2727 8.1942 123.3484 61.6982 39.2841 177.4662 130 K 4.1275 8.0354 116.3184 58.0826 31.9463 177.5145 131 N 4.2489 7.6686 116.0810 54.7639 38.7735 174.6339 132 Y 4.7268 6.5333 115.1768 56.4051 40.0028 175.1900 133 Q 4.3720 8.1703 120.0911 54.0936 32.4015 174.5658 134 F 5.2715 8.1596 119.3005 55.7962 42.5270 174.3451 135 F 5.4203 9.5010 121.5110 55.6779 43.1443 173.9791 136 I 4.9460 8.9413 116.0198 58.4954 41.2334 175.3092 137 G 4.2250 8.6461 110.6763 44.6905 0.0000 174.0471 138 E 3.9660 9.0547 120.7113 59.4513 29.4472 178.3406 139 N 4.4692 8.7838 114.1699 54.4134 38.8287 174.6391 140 M 3.1460 7.9395 117.1733 56.0411 30.3651 177.0129 141 N 4.5629 8.0883 117.2568 52.4103 39.3583 173.4087 142 P 4.6078 0.0000 0.0000 65.3486 31.2857 176.6152 143 D 4.8229 8.6548 117.5948 54.4567 41.2568 176.6397 144 G 4.0927 8.2873 109.4355 44.5788 0.0000 173.0686 145 M 3.6893 9.4673 118.8779 54.5623 32.6483 175.5491 146 V 4.6325 8.1706 123.7081 61.1002 33.4617 174.8582 147 A 4.1855 9.2686 130.9679 51.5029 20.1325 175.7048 148 L 4.7407 7.8807 120.3729 52.7357 44.4732 175.3626 149 L 4.7972 8.4434 124.9111 53.3845 45.2189 174.7925 150 D 4.6429 7.6203 123.8889 53.6111 45.3025 172.7271 151 Y 4.9866 8.1721 116.0341 55.7805 41.3525 176.3071 152 R 4.4040 9.1451 121.5559 55.8182 30.9530 177.8718 153 E 4.0270 8.6678 118.1929 59.2599 29.3770 178.3154 154 D 4.3971 8.1270 116.7216 53.7991 39.7177 177.3908 155 G 3.9490 8.3503 108.0422 46.0032 0.0000 174.4688 156 V 4.2590 8.4014 111.0317 61.0776 34.0913 175.6420 157 T 4.5639 8.2339 117.0588 61.5324 69.2208 172.6672 158 P 4.0935 0.0000 0.0000 62.4691 33.1893 174.8390 159 Y 5.1705 7.8907 118.4042 55.8668 41.9526 173.6058 160 M 4.9731 9.1467 120.2512 53.5816 36.3010 174.3791 161 I 4.7534 8.3297 122.9831 59.5794 39.8359 174.8336 162 F 4.9328 8.7934 124.3394 55.5066 43.6078 174.1723 163 F 4.9673 8.8398 119.9032 56.4847 39.7751 176.3936 164 K 3.9908 9.2373 126.6464 59.9223 32.0179 178.2052 165 D 4.6275 8.5223 115.0591 55.9477 41.0542 176.6974 166 G 4.3750 8.5389 106.5979 45.1388 0.0000 173.2023 167 L 5.6973 8.1037 119.7282 52.5854 45.0635 175.7135 168 E 4.7582 9.0196 118.8995 54.8869 32.7034 174.5524 169 M 4.4675 8.4872 121.8900 54.0328 33.7727 174.9999 170 E 4.7651 8.8952 124.0523 54.1184 32.8653 174.6057 171 K 5.1115 8.2876 124.5514 55.5686 36.0863 175.5818 172 C 4.5294 8.6996 121.4611 60.3242 31.7649 173.3417 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 E 8.44 4.19 0.00 1.86 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 0.00 1.97 2.01 0.00 0 F 7.94 4.16 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 1 M 9.38 4.95 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 2 I 9.35 4.85 1.92 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 1.13 0.62 0.35 0.00 0.00 3 I 8.92 4.56 1.78 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 1.23 0.77 0.86 0.00 0.00 4 Y 8.72 4.60 0.00 1.43 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 0.00 0.00 0.00 0.00 5 R 8.58 5.01 0.00 1.83 1.73 0.00 3.38 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 6 D 9.29 4.71 0.00 2.86 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 7 L 9.14 4.14 0.00 1.72 1.85 0.98 0.96 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 8 I 8.43 4.03 2.14 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 1.43 1.06 1.05 0.00 0.00 9 S 8.28 4.38 0.00 4.04 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 10 H 8.70 4.31 0.00 3.35 3.54 0.00 5.66 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 11 D 7.71 4.67 0.00 2.67 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 12 E 8.80 4.15 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 2.35 2.36 0.00 13 M 8.88 4.65 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.96 0.00 14 F 6.90 4.28 0.00 2.94 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 15 S 8.67 5.27 0.00 4.01 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 16 D 8.92 5.22 0.00 2.85 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 17 I 7.49 4.09 1.59 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 0.58 -0.36 0.81 0.00 0.00 18 Y 7.27 4.78 0.00 3.00 3.06 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 19 K 8.59 4.56 0.00 1.88 1.72 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.49 7.81 20 I 8.45 5.06 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 0.87 0.00 0.00 21 R 8.81 4.69 0.00 1.61 1.73 0.00 3.26 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 22 E 8.73 4.81 0.00 2.08 1.84 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 2.38 2.36 0.00 23 I 8.50 4.60 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 0.89 0.00 0.00 24 A 8.77 3.75 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 25 D 9.24 4.54 0.00 2.79 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 26 G 8.51 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 27 L 8.09 4.31 0.00 1.89 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.16 5.47 0.00 2.87 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 29 L 8.92 5.05 0.00 1.60 1.47 1.01 0.85 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 30 E 9.43 4.90 0.00 1.90 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 2.11 2.14 0.00 31 V 8.79 4.52 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 0.37 0.00 0.00 -0.10 0.00 0.00 32 E 8.83 4.54 0.00 2.01 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 2.29 2.27 0.00 33 G 8.59 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.92 4.87 0.00 1.71 1.68 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.48 7.81 35 M 8.64 4.65 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.80 0.00 36 V 9.36 4.31 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 1.04 0.00 0.00 0.96 0.00 0.00 37 S 8.39 5.26 0.00 4.02 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 38 R 7.21 4.43 0.00 1.77 1.87 0.00 3.41 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 *67 I 7.27 3.90 1.89 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 1.58 1.26 0.93 0.00 0.00 68 T 8.45 4.36 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 69 G 7.54 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 0.00 0.00 0.00 70 V 7.46 4.15 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 0.87 0.00 0.00 0.80 0.00 0.00 71 D 8.87 4.40 0.00 3.02 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 72 I 7.49 3.65 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.85 0.76 0.00 0.00 73 V 7.44 3.47 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 1.13 0.00 0.00 0.06 0.00 0.00 74 M 8.07 4.08 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 75 N 8.51 4.38 0.00 2.69 2.70 0.00 0.00 6.92 7.93 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 76 H 7.64 4.85 0.00 3.25 3.39 0.00 5.81 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.52 4.14 0.00 3.36 3.43 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.97 4.58 0.00 1.63 1.82 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.24 4.81 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 80 E 8.87 3.67 0.00 1.33 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 2.00 1.75 0.00 81 T 8.54 4.78 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 1.21 0.00 0.00 82 S 8.10 4.88 0.00 3.97 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 83 F 8.28 4.82 0.00 2.69 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 84 T 8.38 4.53 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 1.25 0.00 0.00 85 K 8.29 2.63 0.00 1.25 1.56 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.18 0.61 7.81 86 E 8.04 3.90 0.00 2.00 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 2.36 2.30 0.00 87 A 8.11 4.07 1.52 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 0.00 0.00 88 Y 8.32 3.62 0.00 2.76 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 89 K 8.37 3.81 0.00 1.90 1.93 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 90 K 7.85 3.91 0.00 1.84 1.96 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 91 Y 7.98 3.98 0.00 3.23 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 92 I 7.47 3.22 1.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.04 0.77 0.00 0.00 93 K 7.51 3.83 0.00 1.70 1.82 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.64 7.81 94 D 7.67 4.28 0.00 2.66 2.65 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 95 Y 7.92 3.76 0.00 2.31 2.51 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 96 M 8.20 3.88 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 97 K 8.07 3.98 0.00 1.96 1.78 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 98 S 7.76 4.06 0.00 3.94 4.08 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 99 I 7.25 3.45 1.72 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.78 0.40 0.00 0.00 100 K 8.10 3.72 0.00 1.98 2.01 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.51 7.81 101 G 7.95 3.60 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 0.00 0.00 0.00 102 K 7.60 4.01 0.00 1.72 1.93 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 103 L 7.79 3.94 0.00 1.67 1.57 0.21 0.52 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 0.00 104 E 8.28 4.05 0.00 2.12 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 2.31 2.51 0.00 105 E 7.47 3.96 0.00 1.96 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 0.00 2.27 2.32 0.00 106 Q 8.25 4.40 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 107 R 8.37 4.73 0.00 1.72 1.88 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 108 P 0.00 4.21 0.00 2.25 2.31 0.00 3.68 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 2.07 2.03 0.00 109 E 8.07 4.10 0.00 2.15 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 0.00 2.28 2.31 0.00 110 R 8.13 4.15 0.00 1.95 2.17 0.00 3.24 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 111 V 7.49 3.64 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 1.07 0.00 0.00 0.95 0.00 0.00 112 K 8.08 3.94 0.00 1.93 1.82 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.58 7.81 113 P 0.00 4.30 0.00 2.36 2.33 0.00 3.88 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 2.36 2.07 0.00 114 F 8.39 4.13 0.00 3.23 3.37 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 0.00 115 M 8.48 3.86 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.06 0.00 116 T 8.08 3.94 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 0.00 117 G 8.20 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 0.00 118 A 8.18 3.78 0.76 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 0.00 119 A 7.91 3.87 1.34 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 0.00 120 E 7.97 3.90 0.00 2.05 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 2.33 2.33 0.00 121 Q 8.55 4.12 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 122 I 8.20 3.85 2.06 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 1.66 0.64 0.95 0.00 0.00 123 K 8.02 3.95 0.00 1.99 2.05 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 124 H 8.33 4.24 0.00 3.37 3.58 0.00 5.84 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 0.00 125 I 8.06 3.90 2.12 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 1.97 1.11 0.96 0.00 0.00 126 L 8.40 4.30 0.00 1.90 1.77 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.18 4.21 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 0.00 128 N 7.83 4.91 0.00 2.70 2.57 0.00 0.00 6.47 8.15 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 0.00 129 F 8.19 4.27 0.00 3.28 3.17 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 0.00 130 K 8.04 4.13 0.00 1.77 1.82 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.61 7.81 131 N 7.67 4.25 0.00 1.76 2.61 0.00 0.00 6.87 7.05 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 0.00 132 Y 6.53 4.73 0.00 1.85 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 0.00 0.00 0.00 133 Q 8.17 4.37 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 134 F 8.16 5.27 0.00 3.13 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 0.00 135 F 9.50 5.42 0.00 2.92 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 0.00 136 I 8.94 4.95 1.96 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 1.41 1.31 0.98 0.00 0.00 137 G 8.65 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 0.00 0.00 0.00 0.00 138 E 9.05 3.97 0.00 2.04 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 2.34 2.42 0.00 139 N 8.78 4.47 0.00 2.96 2.92 0.00 0.00 7.18 7.22 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 0.00 140 M 7.94 3.15 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.49 0.00 141 N 8.09 4.56 0.00 2.79 2.79 0.00 0.00 6.79 7.71 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 0.00 142 P 0.00 4.61 0.00 2.30 2.22 0.00 3.86 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 2.06 2.04 0.00 143 D 8.65 4.82 0.00 2.92 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 0.00 144 G 8.29 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 0.00 0.00 0.00 145 M 9.47 3.69 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.61 0.00 146 V 8.17 4.63 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 1.13 0.00 0.00 0.79 0.00 0.00 147 A 9.27 4.19 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.88 4.74 0.00 1.20 1.05 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.44 4.80 0.00 1.47 1.50 0.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.62 4.64 0.00 2.52 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 0.00 0.00 0.00 151 Y 8.17 4.99 0.00 2.79 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 0.00 152 R 9.15 4.40 0.00 2.09 1.93 0.00 3.23 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 153 E 8.67 4.03 0.00 1.97 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 2.25 0.00 154 D 8.13 4.40 0.00 2.78 2.81 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 0.00 155 G 8.35 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 0.00 156 V 8.40 4.26 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 0.73 0.00 0.00 1.06 0.00 0.00 157 T 8.23 4.56 4.40 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 1.24 0.00 0.00 158 P 0.00 4.09 0.00 1.62 1.47 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 159 Y 7.89 5.17 0.00 2.98 2.91 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 0.00 160 M 9.15 4.97 0.00 1.34 1.78 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 161 I 8.33 4.75 1.52 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 1.22 0.67 0.61 0.00 0.00 162 F 8.79 4.93 0.00 3.00 3.06 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 0.00 163 F 8.84 4.97 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 0.00 164 K 9.24 3.99 0.00 1.96 2.08 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.60 7.81 165 D 8.52 4.63 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.54 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 0.00 0.00 0.00 0.00 167 L 8.10 5.70 0.00 1.84 1.71 1.19 1.00 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 0.00 168 E 9.02 4.76 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 2.31 2.24 0.00 169 M 8.49 4.47 0.00 1.55 1.83 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.67 0.00 170 E 8.90 4.77 0.00 1.89 1.75 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 2.15 2.17 0.00 171 K 8.29 5.11 0.00 1.77 1.62 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.21 1.40 7.81 172 C 8.70 4.53 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.