NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5409 8.1749 117.3825 63.6457 69.4232 172.9563 3 K 4.5436 8.9437 125.4942 55.6484 35.2855 174.5262 4 L 5.3748 8.2788 120.3896 53.5224 47.1709 174.3930 5 A 5.0919 8.9867 121.2295 51.3026 23.5208 175.0737 6 L 5.3196 8.6633 117.9692 53.0830 46.3332 175.9159 7 F 5.6490 9.3838 124.2843 56.4262 42.9600 173.9171 8 V 4.5960 7.9782 124.6247 58.6122 34.3705 174.2143 9 R 4.8528 8.2666 124.9856 54.8030 31.8147 175.1247 10 L 4.7931 9.0097 125.6634 52.9691 45.3714 174.8081 11 E 5.1004 8.7830 124.8482 54.3817 31.5184 174.6028 12 A 4.7098 9.1372 130.1886 51.3881 19.3997 177.3675 13 K 4.0746 9.0592 122.0918 55.6969 33.5425 175.0898 14 P 4.5543 0.0000 0.0000 63.8734 31.5636 176.9148 15 G 3.9943 9.1368 111.9490 45.7851 0.0000 174.3781 16 Q 4.5159 8.2196 118.0302 55.6370 28.5920 177.0346 17 E 4.0634 8.0764 121.5184 59.6383 29.5680 178.9061 18 A 4.0765 8.0595 119.9463 55.1754 18.4488 179.3811 19 A 3.9409 7.9069 118.8255 55.1314 18.4630 179.4985 20 L 3.7499 8.2464 119.1679 57.9868 42.0586 179.0665 21 A 3.7248 7.5951 120.7321 55.1059 18.2667 179.2648 22 D 4.3161 8.3770 117.7974 57.4494 40.6932 178.7740 23 F 4.0759 8.1290 119.8117 61.3699 39.7655 176.8971 24 L 4.2664 8.3634 118.3810 57.7778 41.5941 179.2539 25 A 4.1226 8.4426 121.1371 55.4574 18.1866 179.5775 26 S 4.2388 8.2208 111.1932 60.2698 63.2580 175.9364 27 A 3.8385 7.6254 123.2231 53.2645 18.0340 178.8543 28 L 3.5445 7.5387 119.4332 58.0833 42.0935 177.5511 29 P 4.1574 0.0000 0.0000 65.2693 30.9891 178.6544 30 L 3.8265 7.5126 116.6899 57.5516 41.8460 178.8484 31 A 3.6759 7.3699 120.6374 55.0145 17.9103 179.2755 32 N 4.1398 7.9863 114.0572 56.4938 38.7023 177.1364 33 A 4.3259 7.7024 120.3626 53.0763 18.9293 177.8519 34 E 4.2938 7.8794 118.0367 54.8981 29.5201 176.9327 35 S 4.1137 8.6021 121.5284 61.3209 63.1492 176.2071 36 G 3.7943 8.0588 106.2534 46.5109 0.0000 173.6645 37 T 4.3970 7.6149 117.5652 62.2339 67.9110 174.5618 38 T 4.1619 8.3720 124.2528 66.0249 69.0308 174.8491 39 A 4.7039 7.5370 120.5137 50.3729 23.3165 174.9083 40 W 5.1653 7.6997 127.6967 56.3812 34.0142 173.7502 41 F 4.6759 9.0120 125.5702 55.4925 42.2578 173.5949 42 A 4.3409 8.2341 125.4881 50.6440 19.9259 176.1551 43 L 4.6190 9.1027 123.1710 52.7059 44.8958 175.6950 44 K 4.4250 8.2461 123.0897 54.9550 33.7061 175.5232 45 F 4.3497 9.0673 127.5997 59.6113 39.9272 175.7231 46 G 4.0515 7.1603 106.8438 44.2913 0.0000 171.5861 47 P 4.2733 0.0000 0.0000 64.8968 31.4428 177.5130 48 S 5.0163 8.0318 110.0138 57.9989 64.8124 173.3974 49 T 5.1620 7.5486 117.3054 62.4301 71.6586 173.2131 50 F 5.1023 9.7255 124.8414 57.5937 44.0860 173.0294 51 G 4.1325 8.1013 104.7055 47.4064 0.0000 172.2043 52 V 4.9100 7.8507 118.2734 61.0613 35.4910 174.1414 53 F 5.5128 9.0905 128.9241 56.5059 42.3671 173.4650 54 D 5.1029 8.2516 123.7240 51.8351 43.4329 173.7912 55 A 4.8289 8.2390 119.9985 50.4142 23.1466 175.0154 56 F 5.2534 8.7635 116.1461 56.1505 43.4623 175.9698 57 A 4.1128 8.9872 124.1843 54.9730 18.8769 177.4097 58 D 4.6041 7.6372 113.9775 51.5717 43.2030 175.7569 59 E 3.8483 8.7119 118.9563 59.3151 29.3508 178.2438 60 A 4.0396 8.0622 120.4530 55.1398 18.5345 179.6553 61 G 3.5959 8.7174 104.4848 47.9793 0.0000 175.9167 62 R 2.0000 7.5576 121.3200 58.5773 29.9361 178.6836 63 Q 3.8940 8.5105 117.9537 58.7382 28.4269 178.4713 64 A 3.9393 7.9348 121.3678 55.2431 18.6463 178.9536 65 H 4.2866 7.9684 116.3790 59.4952 29.8251 177.6255 66 L 4.0554 7.6409 119.3282 57.1606 41.4724 178.1887 67 N 4.7996 8.0603 114.3740 54.5805 39.3652 175.8086 68 G 4.1234 7.8934 109.2393 43.7710 0.0000 174.0770 69 Q 4.0276 8.4137 117.6556 58.7834 28.7745 178.5041 70 I 3.8026 7.6018 120.2680 64.0285 37.2068 177.9541 71 A 4.0561 7.9156 119.8839 55.1120 18.3435 178.9731 72 A 4.0809 7.9946 118.0319 55.3836 18.4781 179.4760 73 A 4.2414 8.3670 119.4231 54.8594 18.5025 179.6580 74 L 3.5280 8.2698 118.2348 55.3901 42.1649 178.5913 *76 A 4.2898 8.0290 121.7271 51.0963 20.5543 178.4972 77 N 4.8743 7.4600 109.0829 52.5858 39.4898 176.2301 78 A 3.8473 7.8914 124.1660 55.2922 18.2966 179.9711 79 A 3.9635 7.8583 117.2559 55.3131 18.4866 179.5874 80 T 4.0114 7.6808 113.3286 66.5657 69.1060 176.4504 81 L 4.1906 8.0356 120.3851 55.0504 42.1516 176.6824 82 L 5.1589 7.5768 118.3780 52.8771 43.4821 176.8558 83 S 4.3804 8.7917 117.4731 60.1115 63.6115 174.0323 84 S 4.5736 7.4507 113.3034 56.2934 65.1674 172.3667 85 P 4.2912 0.0000 0.0000 61.9963 31.4731 174.9751 86 P 4.2813 0.0000 0.0000 62.6482 32.1682 175.3592 87 N 4.6835 8.5258 119.8365 52.5854 40.0151 173.7116 88 I 4.2490 8.3329 128.3075 60.6970 38.2516 175.2353 89 E 4.7122 9.4160 128.0052 54.4576 31.4353 175.7767 90 K 4.5122 8.7675 124.7688 56.2800 33.2018 176.6500 91 V 4.5349 8.8825 124.1289 61.0674 34.8635 173.6131 92 E 4.7882 8.8829 128.2699 55.0344 30.9815 174.8895 93 L 4.5520 8.5193 127.4166 53.9163 42.0027 177.0992 94 L 4.1547 8.7935 123.9985 56.8141 42.2780 176.8079 95 A 4.3794 7.4989 117.0271 51.8016 21.4415 175.1908 96 A 4.6186 8.4528 122.1197 50.6219 22.2462 175.7178 97 K 4.5759 8.6023 123.4477 54.5482 33.7945 175.4821 98 L 4.9054 8.1630 124.9761 51.9585 45.7334 174.4463 99 P 4.3710 0.0000 0.0000 62.1869 31.8597 176.0294 100 A 3.9496 8.5928 122.3827 52.9912 18.6776 178.0937 101 G 3.7597 8.6427 110.6108 45.6334 0.0000 173.4844 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 T 8.17 4.54 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 3 K 8.94 4.54 0.00 1.87 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.53 7.81 4 L 8.28 5.37 0.00 1.72 1.61 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.99 5.09 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 6 L 8.66 5.32 0.00 1.96 1.61 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 F 9.38 5.65 0.00 3.44 3.05 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 0.00 0.00 0.00 8 V 7.98 4.60 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 0.82 0.00 0.00 0.92 0.00 0.00 9 R 8.27 4.85 0.00 1.75 1.78 0.00 3.07 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 10 L 9.01 4.79 0.00 1.73 1.58 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.78 5.10 0.00 2.10 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 2.31 2.39 0.00 12 A 9.14 4.71 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 13 K 9.06 4.07 0.00 1.79 1.75 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 14 P 0.00 4.55 0.00 2.05 2.04 0.00 3.74 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 15 G 9.14 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 0.00 0.00 0.00 16 Q 8.22 4.52 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.77 0.00 17 E 8.08 4.06 0.00 2.17 2.39 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 2.69 2.60 0.00 18 A 8.06 4.08 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 19 A 7.91 3.94 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 20 L 8.25 3.75 0.00 1.59 1.29 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.60 3.72 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 22 D 8.38 4.32 0.00 2.91 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 23 F 8.13 4.08 0.00 3.05 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 24 L 8.36 4.27 0.00 1.94 1.83 1.01 1.24 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 25 A 8.44 4.12 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 26 S 8.22 4.24 0.00 3.77 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 27 A 7.63 3.84 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 28 L 7.54 3.54 0.00 1.96 1.67 0.98 0.79 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 29 P 0.00 4.16 0.00 2.09 2.00 0.00 3.63 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 2.02 2.10 0.00 30 L 7.51 3.83 0.00 1.51 1.49 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.37 3.68 0.16 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 0.00 0.00 32 N 7.99 4.14 0.00 2.73 2.83 0.00 0.00 7.05 6.97 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 33 A 7.70 4.33 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 34 E 7.88 4.29 0.00 2.13 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 2.26 2.48 0.00 35 S 8.60 4.11 0.00 3.86 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 36 G 8.06 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 37 T 7.61 4.40 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 1.18 0.00 0.00 38 T 8.37 4.16 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 1.22 0.00 0.00 39 A 7.54 4.70 1.23 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 0.00 0.00 40 W 7.70 5.17 0.00 3.06 2.84 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 41 F 9.01 4.68 0.00 2.83 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 42 A 8.23 4.34 1.07 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 0.00 0.00 43 L 9.10 4.62 0.00 1.51 1.02 1.14 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.25 4.42 0.00 1.81 1.61 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.10 0.94 7.81 45 F 9.07 4.35 0.00 3.14 3.03 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 46 G 7.16 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.27 0.00 2.07 2.15 0.00 3.59 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 2.03 2.08 0.00 48 S 8.03 5.02 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 49 T 7.55 5.16 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 1.14 0.00 0.00 50 F 9.73 5.10 0.00 2.95 3.13 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 51 G 8.10 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 52 V 7.85 4.91 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 0.85 0.00 0.00 0.92 0.00 0.00 53 F 9.09 5.51 0.00 3.41 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 54 D 8.25 5.10 0.00 2.46 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 55 A 8.24 4.83 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 56 F 8.76 5.25 0.00 3.02 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 57 A 8.99 4.11 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 58 D 7.64 4.60 0.00 2.93 2.79 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 59 E 8.71 3.85 0.00 2.09 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 2.35 2.40 0.00 60 A 8.06 4.04 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 61 G 8.72 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 62 R 7.56 2.00 0.00 1.34 1.87 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 0.00 63 Q 8.51 3.89 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 64 A 7.93 3.94 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 65 H 7.97 4.29 0.00 3.51 3.38 0.00 5.79 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 66 L 7.64 4.06 0.00 1.64 1.70 0.87 1.09 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 67 N 8.06 4.80 0.00 2.73 2.82 0.00 0.00 6.89 7.92 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 68 G 7.89 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 69 Q 8.41 4.03 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 70 I 7.60 3.80 1.89 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 1.11 0.00 0.00 71 A 7.92 4.06 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 72 A 7.99 4.08 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 73 A 8.37 4.24 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 0.00 0.00 0.00 0.00 0.00 74 L 8.27 3.53 0.00 2.03 1.69 0.47 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *76 A 8.03 4.29 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 77 N 7.46 4.87 0.00 2.47 2.63 0.00 0.00 6.75 6.96 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 78 A 7.89 3.85 1.27 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 0.00 0.00 0.00 79 A 7.86 3.96 1.28 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 0.00 0.00 80 T 7.68 4.01 4.34 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 1.19 0.00 0.00 81 L 8.04 4.19 0.00 1.53 1.56 0.45 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.58 5.16 0.00 1.65 1.69 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.79 4.38 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.45 4.57 0.00 3.95 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 85 P 0.00 4.29 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 86 P 0.00 4.28 0.00 2.16 2.04 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 87 N 8.53 4.68 0.00 2.84 2.77 0.00 0.00 7.11 7.82 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 88 I 8.33 4.25 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.95 0.00 0.00 89 E 9.42 4.71 0.00 2.22 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 2.35 2.41 0.00 90 K 8.77 4.51 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.47 7.81 91 V 8.88 4.53 2.24 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 1.11 0.00 0.00 1.19 0.00 0.00 92 E 8.88 4.79 0.00 2.06 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 2.27 2.37 0.00 93 L 8.52 4.55 0.00 1.67 1.67 1.05 1.19 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 94 L 8.79 4.15 0.00 1.65 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.50 4.38 1.19 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 0.00 0.00 0.00 0.00 0.00 96 A 8.45 4.62 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 97 K 8.60 4.58 0.00 1.71 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 98 L 8.16 4.91 0.00 1.65 1.53 0.99 1.23 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 99 P 0.00 4.37 0.00 2.19 2.08 0.00 3.84 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 2.02 2.00 0.00 100 A 8.59 3.95 1.28 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 0.00 0.00 101 G 8.64 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 * Residues marked with a * may have inaccurate shift predictions.