NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2301 8.2601 123.5784 51.5876 20.3005 176.5020 3 A 3.9612 8.4047 121.1055 53.0771 19.4038 172.5085 4 V 4.7827 7.8543 114.8671 61.4347 35.6285 172.1393 5 T 4.6565 9.1539 122.9981 60.2401 69.8039 172.4671 6 Q 5.4545 8.8395 126.6284 54.7415 31.4527 174.9169 7 S 4.8893 9.0618 114.8299 56.3169 66.7375 172.0421 8 P 4.7785 0.0000 0.0000 62.5580 32.3330 176.5791 9 R 4.2106 8.5340 118.3589 58.7877 31.2298 176.4815 10 N 5.5238 7.9943 114.4301 51.3275 42.5776 174.2816 11 K 4.5712 9.0737 123.6634 54.9985 36.2427 174.5470 12 V 4.9657 8.5408 126.7337 61.1265 33.5103 174.3441 13 A 4.9959 9.1166 129.0464 50.2523 22.9086 175.0847 14 V 4.4455 8.6477 113.0023 59.8936 33.9649 176.2685 15 T 4.0809 8.3987 120.3998 65.7205 68.5344 174.7387 16 G 4.1672 9.1285 115.9955 44.0881 0.0000 173.2694 17 E 4.2260 7.9074 118.2555 55.8273 31.4725 175.8754 18 K 5.1074 8.3738 122.4387 54.9615 33.0815 175.6428 19 V 4.3434 8.6244 128.4651 61.3923 33.7870 174.3533 20 T 4.9018 8.3789 123.6428 61.6924 71.2784 173.0868 21 L 4.6312 8.7924 126.5825 53.0923 44.0857 175.7392 22 S 5.3326 9.0091 119.6238 57.1753 66.0821 172.4694 23 C 5.4742 9.3091 122.1186 55.0467 46.5598 172.5020 24 Q 5.4518 9.4435 124.6833 54.4095 30.9671 174.6264 25 Q 5.2877 9.0609 121.2802 54.8007 31.1871 175.2681 26 T 4.5709 8.5144 107.6743 61.3226 69.9906 174.2921 27 N 4.5413 8.2373 118.8807 52.4455 39.4059 174.2717 28 N 3.9950 7.9032 114.4825 54.4691 36.2245 174.1743 29 H 4.6123 8.1769 112.8819 55.3575 30.0566 175.9595 30 N 4.4377 8.9351 120.0256 56.0703 38.3800 175.2140 31 N 5.1655 8.1903 115.6482 51.9515 40.7328 174.4943 32 M 5.0493 8.2649 122.1794 53.7946 36.3239 174.2525 33 Y 5.4164 9.2253 118.0480 56.2670 43.1620 174.2360 34 W 5.3252 9.4295 122.1689 55.3583 32.1050 174.3018 35 Y 5.4215 9.7943 123.0289 56.1484 41.0633 174.9209 36 R 4.9645 9.0158 118.4515 54.4745 32.7195 174.3402 37 Q 4.9036 8.9780 123.4141 54.7527 29.4316 174.8499 38 D 4.3921 8.4637 127.5171 56.2353 41.1841 175.4927 39 T 3.3454 7.9986 118.8806 64.7189 67.3833 172.2026 40 G 3.8934 8.9960 113.4183 46.0397 0.0000 172.9204 41 H 4.5297 7.5483 117.9235 54.9855 30.9987 171.8820 42 G 4.0619 8.5105 111.3629 45.6121 0.0000 172.1577 43 L 4.9830 8.1462 119.7193 53.9512 42.6833 176.9097 44 R 4.7729 9.1823 123.2411 54.0532 33.1751 174.9683 45 L 4.0095 8.6873 126.3008 55.3762 42.8769 176.8539 46 I 4.0137 8.8792 128.7620 63.8555 37.5937 175.4845 47 H 5.6018 7.9935 117.3771 54.6933 33.8558 171.1971 48 Y 5.4132 8.6524 117.8857 55.8110 42.2223 173.8480 49 S 4.3794 8.0528 114.0769 57.0309 67.2171 174.8165 50 Y 4.9935 8.0231 118.2032 56.5730 38.4724 175.8197 51 G 4.0411 7.5200 111.3025 44.6500 0.0000 171.7632 52 A 3.9671 8.2477 122.3217 54.1361 18.4408 178.4258 53 G 3.9713 10.0005 110.7217 45.2941 0.0000 173.3894 54 S 4.5528 7.6743 113.8856 56.5326 65.3387 172.9808 55 T 4.7520 8.1963 116.2998 60.0483 72.0287 172.7554 56 E 4.6179 8.5821 121.3664 54.2372 34.1715 175.0759 57 K 4.5159 8.6660 121.7038 56.1121 32.6306 177.5972 58 G 4.2328 8.9707 118.7710 47.2252 0.0000 174.9823 59 D 4.7775 9.3343 122.4322 55.2285 41.7190 177.2123 60 I 4.7732 7.2193 110.1187 58.9217 35.5151 174.2202 61 P 4.5030 0.0000 0.0000 65.8317 32.6531 178.5926 62 D 4.3517 8.1357 121.0632 55.8104 41.2720 176.4537 63 G 3.5851 8.7680 111.6891 45.6162 0.0000 171.9664 *65 Y 5.3256 7.2237 115.3819 57.9480 39.4062 174.3044 66 K 4.7751 8.9524 121.1973 54.9245 36.2215 174.4856 67 A 4.9016 8.0308 120.6979 51.2674 22.3784 175.7522 68 S 4.5324 8.9201 113.5866 56.9484 66.4946 173.1292 69 R 5.3728 8.9874 127.4614 53.2591 29.5042 173.8580 70 P 4.6370 0.0000 0.0000 64.0220 32.0777 176.7910 71 S 4.6797 7.6124 112.4317 56.6392 65.9439 174.6430 72 Q 4.0623 8.7584 119.7567 58.5692 28.5314 177.9012 73 E 4.3820 7.8335 114.1399 56.3824 30.4624 175.0293 74 Q 5.2143 7.8004 120.6335 54.2818 32.1779 174.0423 75 F 5.7546 9.2362 128.3244 57.0281 42.2309 173.5338 76 S 5.1626 9.5529 121.6045 56.4553 66.1987 172.5782 77 L 4.5661 8.1862 124.3023 53.2457 44.1381 174.9639 78 I 4.6536 8.7552 126.7290 59.5599 40.3491 174.5703 79 L 4.5382 9.1428 129.1952 53.1380 42.3720 177.5721 80 E 3.7046 8.8110 124.1625 58.8576 29.8259 177.2826 81 S 4.5316 7.6051 118.1350 55.7925 64.8861 172.1659 82 A 4.5556 8.8863 130.8201 52.3602 19.2186 176.4502 83 T 4.7669 9.0263 113.3635 59.1700 71.6174 174.2585 84 P 4.7033 0.0000 0.0000 64.7018 31.5247 178.6022 85 S 4.3604 8.0116 111.2479 59.9743 63.1915 174.6033 86 Q 4.5164 7.7846 119.1317 56.2096 28.9986 175.8241 87 T 4.1795 7.6598 116.3405 64.1584 68.8766 173.8946 88 S 4.6063 7.9974 120.2447 58.6658 68.1957 175.1296 89 V 4.7870 7.5472 119.1776 61.9688 33.8219 175.0597 90 Y 5.2060 9.1080 125.4235 56.2759 40.8114 174.5165 91 F 5.4084 9.7726 123.3195 55.7910 42.1792 173.9583 92 C 4.3420 9.5287 124.9663 56.0840 44.2602 172.1499 93 A 5.3034 8.9651 126.1521 50.1948 22.8042 174.9403 94 S 5.2479 9.1525 113.9311 56.8013 66.7799 173.3221 95 G 4.4733 9.6365 108.7916 44.3081 0.0000 171.7837 96 G 4.6050 9.3834 113.2657 45.1287 0.0000 172.5139 97 G 3.9879 8.9584 106.9901 46.4860 0.0000 173.8213 98 G 3.8755 8.4395 103.6389 46.3563 0.0000 174.3217 99 T 4.4318 7.4121 107.8008 59.2573 71.8773 172.5233 100 L 4.7806 7.6618 124.0026 54.0848 44.6498 174.5820 101 Y 4.7335 8.8945 124.3304 56.2926 41.1928 175.1030 *108 F 4.8470 8.5146 119.6188 57.4939 40.5395 175.1632 109 G 4.1751 9.2555 109.3050 44.9217 0.0000 173.6024 110 A 4.4048 8.6961 121.4151 52.6277 18.9867 178.4893 111 G 3.2571 8.3903 102.6557 44.8944 0.0000 173.0359 112 T 4.7734 8.7807 118.0014 61.5366 71.7803 173.3750 113 R 4.7228 8.8630 126.4435 55.1150 31.6686 175.1286 114 L 5.4042 9.0908 127.3175 53.1041 44.9237 175.1011 115 S 4.9693 8.9409 120.4207 56.5230 66.0825 172.9811 116 V 4.7861 9.5381 126.0602 61.1405 32.8762 175.3813 117 L 4.3955 8.3812 128.0324 55.7481 40.1574 176.4508 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 A 8.26 4.23 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 3 A 8.40 3.96 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 4 V 7.85 4.78 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 0.97 0.00 0.00 0.97 0.00 0.00 5 T 9.15 4.66 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 1.27 0.00 0.00 6 Q 8.84 5.45 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 7 S 9.06 4.89 0.00 3.89 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 8 P 0.00 4.78 0.00 2.39 2.09 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 9 R 8.53 4.21 0.00 1.78 2.03 0.00 3.39 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 10 N 7.99 5.52 0.00 2.55 2.67 0.00 0.00 6.59 7.61 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 11 K 9.07 4.57 0.00 1.82 1.57 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.40 7.81 12 V 8.54 4.97 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 0.94 0.00 0.00 13 A 9.12 5.00 1.16 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 14 V 8.65 4.45 2.07 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 0.72 0.00 0.00 0.99 0.00 0.00 15 T 8.40 4.08 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 1.23 0.00 0.00 16 G 9.13 4.17 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 0.00 0.00 0.00 17 E 7.91 4.23 0.00 2.05 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 0.00 2.37 2.21 0.00 18 K 8.37 5.11 0.00 1.81 1.72 0.00 1.68 0.00 0.00 2.25 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.20 7.81 19 V 8.62 4.34 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 0.77 0.00 0.00 0.85 0.00 0.00 20 T 8.38 4.90 4.17 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 1.13 0.00 0.00 21 L 8.79 4.63 0.00 0.62 1.36 0.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.01 5.33 0.00 3.83 3.96 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 23 C 9.31 5.47 0.00 2.94 3.19 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 24 Q 9.44 5.45 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 25 Q 9.06 5.29 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 26 T 8.51 4.57 4.20 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 1.19 0.00 0.00 27 N 8.24 4.54 0.00 2.67 2.66 0.00 0.00 7.22 6.92 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 28 N 7.90 3.99 0.00 2.79 2.83 0.00 0.00 7.05 8.16 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 29 H 8.18 4.61 0.00 3.23 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.94 4.44 0.00 2.72 2.89 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.19 5.17 0.00 2.90 2.51 0.00 0.00 6.80 7.68 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 32 M 8.26 5.05 0.00 1.92 1.37 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 33 Y 9.23 5.42 0.00 2.94 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 34 W 9.43 5.33 0.00 3.26 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 35 Y 9.79 5.42 0.00 3.39 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 R 9.02 4.96 0.00 1.26 1.52 0.00 2.73 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 37 Q 8.98 4.90 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 38 D 8.46 4.39 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 39 T 8.00 3.35 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 1.22 0.00 0.00 40 G 9.00 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 0.00 0.00 0.00 41 H 7.55 4.53 0.00 3.06 3.07 0.00 5.88 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 42 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 43 L 8.15 4.98 0.00 1.24 1.39 0.24 0.65 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 44 R 9.18 4.77 0.00 1.75 1.87 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 45 L 8.69 4.01 0.00 1.84 1.60 0.52 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.88 4.01 1.86 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.42 0.39 0.00 0.00 47 H 7.99 5.60 0.00 3.20 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.65 5.41 0.00 2.49 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 49 S 8.05 4.38 0.00 3.26 3.67 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 50 Y 8.02 4.99 0.00 2.89 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 51 G 7.52 4.04 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 0.00 0.00 0.00 52 A 8.25 3.97 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 53 G 10.00 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 0.00 0.00 0.00 54 S 7.67 4.55 0.00 3.69 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 55 T 8.20 4.75 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 1.41 0.00 0.00 56 E 8.58 4.62 0.00 1.16 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 1.68 1.93 0.00 57 K 8.67 4.52 0.00 1.70 1.80 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.51 7.81 58 G 8.97 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 0.00 0.00 0.00 0.00 59 D 9.33 4.78 0.00 2.59 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 60 I 7.22 4.77 1.96 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 1.44 0.85 0.96 0.00 0.00 61 P 0.00 4.50 0.00 2.17 2.29 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 62 D 8.14 4.35 0.00 2.75 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 63 G 8.77 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.22 5.33 0.00 3.04 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 66 K 8.95 4.78 0.00 1.58 1.65 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.32 7.81 67 A 8.03 4.90 1.08 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 0.00 0.00 68 S 8.92 4.53 0.00 3.89 3.67 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 69 R 8.99 5.37 0.00 1.93 1.76 0.00 3.50 0.00 0.00 2.95 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 70 P 0.00 4.64 0.00 2.25 2.19 0.00 4.18 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 2.04 2.00 0.00 71 S 7.61 4.68 0.00 4.14 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 72 Q 8.76 4.06 0.00 2.06 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 73 E 7.83 4.38 0.00 2.15 2.19 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 2.25 2.39 0.00 74 Q 7.80 5.21 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 75 F 9.24 5.75 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 76 S 9.55 5.16 0.00 3.94 4.17 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 77 L 8.19 4.57 0.00 0.27 0.30 0.61 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.76 4.65 1.78 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 1.15 0.32 0.83 0.00 0.00 79 L 9.14 4.54 0.00 1.52 1.44 0.70 -0.03 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 80 E 8.81 3.70 0.00 1.92 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 2.34 2.20 0.00 81 S 7.61 4.53 0.00 3.80 3.65 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 82 A 8.89 4.56 1.21 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 0.00 0.00 83 T 9.03 4.77 4.21 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 1.21 0.00 0.00 84 P 0.00 4.70 0.00 2.20 2.23 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 85 S 8.01 4.36 0.00 4.01 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 86 Q 7.78 4.52 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 87 T 7.66 4.18 4.41 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 1.31 0.00 0.00 88 S 8.00 4.61 0.00 3.95 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 89 V 7.55 4.79 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 0.79 0.00 0.00 0.96 0.00 0.00 90 Y 9.11 5.21 0.00 3.07 3.14 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 0.00 91 F 9.77 5.41 0.00 3.19 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 92 C 9.53 4.34 0.00 1.49 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.97 5.30 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 94 S 9.15 5.25 0.00 4.03 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 95 G 9.64 4.47 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 0.00 96 G 9.38 4.60 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 97 G 8.96 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 98 G 8.44 3.88 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 0.00 0.00 0.00 99 T 7.41 4.43 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 1.21 0.00 0.00 100 L 7.66 4.78 0.00 1.39 1.33 0.61 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.89 4.73 0.00 2.94 2.83 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 *108 F 8.51 4.85 0.00 3.01 3.16 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 0.00 109 G 9.26 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 0.00 0.00 0.00 0.00 110 A 8.70 4.40 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 0.00 111 G 8.39 3.26 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 0.00 112 T 8.78 4.77 4.42 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 1.27 0.00 0.00 113 R 8.86 4.72 0.00 1.92 1.90 0.00 3.25 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 114 L 9.09 5.40 0.00 1.78 1.74 0.93 0.78 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 0.00 115 S 8.94 4.97 0.00 3.92 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 0.00 116 V 9.54 4.79 2.19 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 0.97 0.00 0.00 0.98 0.00 0.00 117 L 8.38 4.40 0.00 1.70 1.62 0.92 0.89 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 * Residues marked with a * may have inaccurate shift predictions.