NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 3.8754 8.0976 120.8097 56.2714 32.0032 177.2940 5 S 3.7401 7.6663 112.8341 60.9164 62.5631 174.7100 6 Q 3.4827 7.6409 123.1127 58.6166 29.2151 179.5154 7 V 3.5924 7.2753 119.8898 64.4841 31.4945 178.3553 8 W 4.3391 8.5282 120.3038 59.2960 28.8218 178.2475 9 A 3.3797 7.9189 121.5254 54.9165 17.5839 179.4114 10 Q 3.8034 8.2856 118.1403 59.3134 29.1014 178.5924 11 K 3.9288 8.3728 119.5749 59.4435 32.0972 179.2104 12 A 3.1479 8.2840 121.3706 54.9752 18.1630 178.9541 13 Y 3.5022 7.9596 118.1129 60.5835 38.7257 178.1736 14 E 3.4980 8.1917 119.6363 59.2839 29.5424 179.4767 15 K 3.9461 8.1726 118.6318 59.6384 32.1567 179.6504 16 V 3.6720 8.1572 118.8481 65.7680 31.1740 178.0620 17 R 3.6758 7.5489 117.8554 59.4706 29.8266 178.0353 18 E 3.9734 8.0100 118.0860 59.3776 29.4043 179.3051 19 A 3.7226 8.0128 120.7550 54.5535 18.0922 178.8902 20 A 4.1863 7.7994 117.2020 53.4734 18.4604 177.9896 21 K 4.3463 7.4332 115.5088 55.7267 32.8143 176.3439 22 G 4.1861 7.5946 108.9307 43.3298 0.0000 174.9966 23 E 3.9834 8.8145 120.3225 58.7208 29.9554 178.4083 24 G 4.1624 7.8099 105.3156 44.7648 0.0000 176.2860 25 R 4.0850 7.8068 120.8947 59.0354 29.6413 178.0216 26 G 3.7158 8.1320 106.2268 47.5491 0.0000 175.3293 27 E 4.2626 8.1008 119.5470 59.1574 29.6624 178.2319 28 Y 4.1990 7.8169 118.5699 60.6516 39.2125 177.6353 29 R 4.2175 8.6131 120.0690 59.5830 30.0198 178.5386 30 D 4.4084 7.9859 114.3390 55.4797 40.4605 177.9643 *32 A 4.1655 7.8444 123.9457 52.2482 20.2882 179.0765 33 L 4.1482 7.9442 114.2679 57.0090 42.3181 178.8634 34 K 4.1078 7.8316 119.5384 58.4134 32.1179 178.1152 35 L 3.8714 7.8920 120.3790 57.7606 41.8367 176.9780 36 P 4.1873 0.0000 0.0000 65.7210 31.2623 178.9846 37 V 3.6244 7.6637 117.2230 64.5564 31.2298 178.2338 38 L 3.8189 7.6277 119.4233 57.6716 41.2908 179.5966 39 V 3.5526 7.9669 118.4186 65.9240 31.1770 178.3648 40 R 3.8982 7.8190 116.9210 59.3482 30.0474 178.5705 41 Q 4.1635 8.2017 116.2942 57.6869 29.1429 177.2740 42 A 4.4863 8.3298 119.4019 50.7601 20.3118 178.1069 43 G 4.0568 7.3535 102.6671 45.5103 0.0000 174.4267 44 L 3.8352 8.4831 121.0255 58.3232 42.0384 179.5322 45 S 4.1883 8.6173 114.9640 61.9415 62.8940 176.9200 46 Q 4.0443 8.1576 119.8486 58.8069 28.6111 178.5763 47 A 4.0009 7.9584 121.5984 55.2606 18.3809 179.7707 48 L 3.9781 8.2100 117.3789 57.7199 41.2013 179.6202 49 A 3.9858 8.1438 121.0152 54.9965 18.0702 179.4109 50 F 3.9899 7.9978 118.3478 61.4215 39.5259 177.2874 51 V 3.6373 7.6155 116.5760 65.8377 31.4869 177.2164 52 D 4.6460 8.3537 116.6853 55.0223 41.8166 176.2294 53 S 4.3406 7.0862 113.3331 56.2303 62.6067 174.1024 *55 G 3.7914 7.9074 116.2393 45.8466 0.0000 171.0917 56 K 4.1269 8.0652 116.3725 55.2668 33.9267 177.7960 57 E 3.9073 9.0489 123.6222 59.5515 29.2474 178.9544 58 A 4.0926 7.9601 118.9589 55.6062 18.4883 178.8301 59 H 4.3394 7.8029 114.4658 59.1377 28.7884 178.2022 60 K 4.0462 8.0746 118.8133 58.6080 31.8640 179.0905 61 A 4.0575 7.9240 121.8694 54.8676 18.1836 179.3870 62 L 3.6621 7.7463 118.9345 58.1132 42.0942 179.3112 63 G 3.5440 7.9244 105.1265 47.9018 0.0000 175.1781 64 N 4.3336 8.4102 119.2360 56.0450 38.5593 177.0822 65 D 4.8438 8.2313 121.7748 56.8258 41.0837 178.7285 66 L 3.7786 7.7433 120.5511 57.9697 41.9944 178.7565 67 A 4.0556 8.0933 120.6783 55.3967 18.2278 179.5140 68 Q 4.5979 8.3931 118.1193 58.7954 28.6195 179.2843 69 V 3.7898 7.9694 117.9299 65.9934 31.5827 177.1216 70 L 4.6488 7.6962 115.3362 54.6257 41.5998 177.4404 71 G 3.8076 8.5559 107.4144 45.9223 0.0000 173.0933 72 Y 4.7448 7.7880 116.8261 55.7017 39.8660 177.1939 73 R 3.9994 9.1854 123.7171 59.2429 30.6096 176.3200 74 D 4.5610 7.6757 115.8036 51.1061 42.9453 175.9137 75 L 3.8622 8.4373 121.0552 58.4458 41.8464 178.7672 76 R 3.8735 8.0032 117.9564 59.5303 29.8653 177.8421 77 E 4.1430 8.6887 120.5421 58.6259 29.5898 178.6127 78 L 2.9207 7.6466 119.7245 57.6980 42.1604 178.7432 79 A 3.9258 8.2737 121.1659 55.2135 17.7686 179.4575 80 E 3.8961 8.8086 117.3797 59.4994 29.5346 179.4875 81 A 4.0479 8.1709 120.8926 55.0577 18.1951 179.5856 82 A 4.1061 7.9299 118.5348 55.4781 18.5578 179.8499 83 R 4.0198 7.8390 115.5405 59.1324 30.2114 178.6455 84 E 4.1335 8.1748 117.3904 57.5400 30.0130 177.4062 85 A 4.1501 7.4374 121.4575 52.2541 19.1873 177.7106 86 E 4.2934 8.5838 120.5784 55.3163 31.8079 177.9445 87 L 3.9705 8.5251 122.2178 58.8681 42.0137 179.4370 88 L 4.0413 7.9323 117.9501 57.9547 41.5783 179.2088 89 Q 4.0855 8.1188 118.9204 58.9223 29.0335 177.3946 90 Y 4.0848 8.2071 121.0667 60.7349 38.8939 177.9315 91 L 3.9353 8.1098 119.9963 57.5616 41.5982 179.5441 92 R 3.8827 7.9807 118.7187 59.3797 30.1143 178.3284 93 L 3.9603 8.2315 120.5121 58.3459 41.9325 179.0775 94 T 3.6221 7.7540 115.7219 66.5037 68.3754 176.4998 95 R 3.8518 7.8873 120.5668 59.3280 30.0954 178.1500 96 E 3.9774 8.3860 119.1403 59.4229 29.6593 178.9590 97 V 3.4207 8.1785 118.6128 65.6579 31.5124 177.6748 98 L 3.8264 8.1704 120.2510 58.0399 42.0919 178.8186 99 A 3.9595 8.0005 120.3945 55.2524 18.3007 179.5285 100 A 3.9459 7.4876 119.0136 55.1100 18.2298 179.7380 101 A 4.1088 8.3434 119.7660 55.3193 18.3125 179.6788 102 E 3.8196 8.1978 117.2434 59.2450 29.3543 179.6769 103 W 3.9133 7.8182 117.7296 59.6776 29.1852 178.5008 104 F 4.1151 8.3368 117.5495 60.4017 38.3852 177.5625 105 K 3.9689 8.4968 119.4154 59.6246 32.1251 179.0202 106 R 3.7942 8.1110 118.4483 59.4519 29.9837 179.2474 107 F 4.6640 8.3080 117.0891 60.1820 38.9883 177.7365 108 A 4.2311 8.4122 121.3291 55.0269 18.0467 179.4510 109 Q 4.1047 8.2297 114.6920 58.5309 28.9152 177.6619 110 A 4.4027 7.7626 121.5187 53.6656 19.4908 178.3343 111 L 4.5292 8.1715 114.9033 54.9670 42.4328 176.8749 112 I 4.1622 7.6445 124.4541 61.3523 37.6103 175.1722 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 4 R 8.10 3.88 0.00 1.48 1.45 0.00 2.80 0.00 0.00 3.03 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 5 S 7.67 3.74 0.00 4.50 4.25 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 6 Q 7.64 3.48 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 7 V 7.28 3.59 1.91 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 0.71 0.00 0.00 0.88 0.00 0.00 8 W 8.53 4.34 0.00 3.30 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 9 A 7.92 3.38 0.31 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 10 Q 8.29 3.80 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 11 K 8.37 3.93 0.00 1.89 1.92 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.72 7.81 12 A 8.28 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.96 3.50 0.00 1.53 2.82 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 0.00 0.00 0.00 0.00 14 E 8.19 3.50 0.00 2.14 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 2.32 2.64 0.00 15 K 8.17 3.95 0.00 2.05 2.35 0.00 2.04 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.91 7.81 16 V 8.16 3.67 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 1.28 0.00 0.00 1.30 0.00 0.00 17 R 7.55 3.68 0.00 1.25 1.69 0.00 2.90 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 18 E 8.01 3.97 0.00 2.13 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 2.25 2.36 0.00 19 A 8.01 3.72 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.19 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 21 K 7.43 4.35 0.00 1.69 1.79 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.45 7.81 22 G 7.59 4.19 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 0.00 23 E 8.81 3.98 0.00 1.96 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 2.31 2.31 0.00 24 G 7.81 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 0.00 0.00 0.00 0.00 25 R 7.81 4.09 0.00 2.03 2.42 0.00 2.80 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 26 G 8.13 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 27 E 8.10 4.26 0.00 1.93 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 2.32 2.37 0.00 28 Y 7.82 4.20 0.00 3.11 3.20 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 0.00 0.00 0.00 0.00 29 R 8.61 4.22 0.00 2.09 2.22 0.00 3.23 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 30 D 7.99 4.41 0.00 3.01 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 *32 A 7.84 4.17 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 33 L 7.94 4.15 0.00 1.66 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.83 4.11 0.00 1.93 1.75 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.35 7.81 35 L 7.89 3.87 0.00 1.71 1.59 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.19 0.00 2.14 2.21 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 37 V 7.66 3.62 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 0.95 0.00 0.00 0.87 0.00 0.00 38 L 7.63 3.82 0.00 1.86 1.64 0.63 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.97 3.55 2.14 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 0.95 0.00 0.00 0.94 0.00 0.00 40 R 7.82 3.90 0.00 1.93 1.94 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 41 Q 8.20 4.16 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 42 A 8.33 4.49 1.25 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 0.00 0.00 43 G 7.35 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 44 L 8.48 3.84 0.00 1.49 1.41 0.81 0.60 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 45 S 8.62 4.19 0.00 3.98 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 46 Q 8.16 4.04 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 47 A 7.96 4.00 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 48 L 8.21 3.98 0.00 1.69 1.70 0.84 0.73 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 49 A 8.14 3.99 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 50 F 8.00 3.99 0.00 3.06 3.30 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 51 V 7.62 3.64 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 0.80 0.00 0.00 1.08 0.00 0.00 52 D 8.35 4.65 0.00 2.72 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 53 S 7.09 4.34 0.00 3.88 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 *55 G 7.91 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 56 K 8.07 4.13 0.00 1.76 1.65 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 57 E 9.05 3.91 0.00 2.06 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 2.38 2.46 0.00 58 A 7.96 4.09 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 59 H 7.80 4.34 0.00 3.25 3.28 0.00 5.62 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 60 K 8.07 4.05 0.00 1.80 1.84 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.48 7.81 61 A 7.92 4.06 1.61 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 62 L 7.75 3.66 0.00 0.96 1.54 0.26 0.75 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 63 G 7.92 3.54 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 0.00 0.00 0.00 64 N 8.41 4.33 0.00 2.76 2.91 0.00 0.00 7.06 8.62 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 65 D 8.23 4.84 0.00 2.91 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 66 L 7.74 3.78 0.00 0.83 1.54 0.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.09 4.06 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.39 4.60 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 69 V 7.97 3.79 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 1.05 0.00 0.00 1.30 0.00 0.00 70 L 7.70 4.65 0.00 2.21 2.10 0.94 0.97 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 71 G 8.56 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 0.00 0.00 0.00 0.00 72 Y 7.79 4.74 0.00 3.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 4.00 0.00 1.81 2.02 0.00 3.32 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 74 D 7.68 4.56 0.00 2.90 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 75 L 8.44 3.86 0.00 1.86 1.69 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.00 3.87 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 77 E 8.69 4.14 0.00 2.27 2.21 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 2.67 2.31 0.00 78 L 7.65 2.92 0.00 1.33 1.62 0.44 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.27 3.93 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 80 E 8.81 3.90 0.00 2.23 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 0.00 2.33 2.43 0.00 81 A 8.17 4.05 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 82 A 7.93 4.11 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 83 R 7.84 4.02 0.00 1.83 1.99 0.00 3.15 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 84 E 8.17 4.13 0.00 1.99 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 2.35 2.51 0.00 85 A 7.44 4.15 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.58 4.29 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 87 L 8.53 3.97 0.00 1.75 1.73 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.93 4.04 0.00 1.73 1.74 0.95 0.75 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 89 Q 8.12 4.09 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 90 Y 8.21 4.08 0.00 3.19 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 91 L 8.11 3.94 0.00 1.92 1.72 0.97 1.00 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 92 R 7.98 3.88 0.00 2.05 2.13 0.00 3.15 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 93 L 8.23 3.96 0.00 1.90 1.70 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.75 3.62 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 1.09 0.00 0.00 95 R 7.89 3.85 0.00 2.00 2.16 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 96 E 8.39 3.98 0.00 2.32 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 2.79 0.00 97 V 8.18 3.42 1.96 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 0.91 0.00 0.00 0.86 0.00 0.00 98 L 8.17 3.83 0.00 1.99 1.69 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.00 3.96 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 0.00 100 A 7.49 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.34 4.11 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 0.00 102 E 8.20 3.82 0.00 1.88 1.72 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 2.56 2.37 0.00 103 W 7.82 3.91 0.00 3.73 3.36 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 0.00 104 F 8.34 4.12 0.00 3.26 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 0.00 105 K 8.50 3.97 0.00 1.99 1.97 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.48 7.81 106 R 8.11 3.79 0.00 1.38 1.58 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.00 107 F 8.31 4.66 0.00 3.23 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 0.00 108 A 8.41 4.23 1.58 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 0.00 109 Q 8.23 4.10 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 110 A 7.76 4.40 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.17 4.53 0.00 1.76 1.79 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.64 4.16 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.