NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.8909 8.0632 120.1182 54.7171 35.1914 174.7837 7 I 5.0592 7.9761 118.8407 59.1989 39.4036 173.9451 8 Q 4.7805 9.5655 125.8898 54.0497 33.5851 174.0641 9 V 4.9857 8.5878 122.4760 61.3480 33.7721 174.0123 10 Y 5.1103 8.4291 124.9865 56.0292 41.7381 173.7969 11 S 5.2790 8.6643 114.6963 56.9127 64.8270 174.0764 12 R 4.1926 8.9214 122.5189 59.2833 30.2259 176.2395 13 H 5.1072 8.2429 112.7785 52.6083 32.2020 171.6376 14 P 4.2809 0.0000 0.0000 62.7648 31.5972 176.4760 15 A 4.0941 8.5610 125.8747 51.9363 19.1128 176.3280 16 E 4.5503 8.4784 123.0622 53.7479 31.9366 174.7361 17 N 4.5854 8.8259 123.5885 55.4569 38.9210 175.2217 18 G 3.9666 9.0001 111.9479 44.7418 0.0000 173.2861 19 K 4.4678 7.2741 118.9740 53.9752 33.9860 176.0510 20 S 4.1513 8.4155 118.3703 59.3169 63.1268 172.6521 21 N 5.0222 8.8589 123.9524 52.9735 42.9244 172.1271 22 F 5.3256 8.8974 116.1869 55.7425 43.0576 173.9789 23 L 4.6505 9.1366 125.9353 53.9369 43.7182 174.9033 24 N 5.4768 8.7309 122.5512 51.4746 42.6217 172.5463 25 C 5.0502 10.0384 124.2154 55.1943 44.1303 171.6308 26 Y 5.3067 9.5856 128.9728 56.2585 40.8085 174.5349 27 V 5.1054 8.9474 126.3305 61.4181 34.7902 174.1866 28 S 4.9115 9.7716 122.8452 57.2434 65.8619 175.2802 29 G 3.6272 8.9193 109.5776 44.8331 0.0000 173.7243 30 F 4.7406 7.2588 116.7992 55.3637 42.2504 174.7121 31 H 3.6074 8.1554 120.9382 54.8497 29.2490 175.1486 32 P 4.3741 0.0000 0.0000 65.4996 31.4077 178.5500 33 S 4.2965 7.9577 110.9331 60.0581 63.4100 174.5422 34 D 4.5331 8.3675 121.6041 55.3721 41.0904 175.5850 35 I 4.9655 7.2777 111.7371 58.9481 41.2188 174.3844 36 E 4.6299 8.9459 123.2860 54.3935 32.9969 174.3357 37 V 4.6410 8.1262 125.3322 61.0756 34.1578 174.0595 38 D 5.0505 8.8860 127.0566 52.5198 44.1680 174.9584 39 L 5.1147 8.3224 120.8607 53.1784 44.7002 175.3674 40 L 5.2488 8.7659 121.9575 52.7594 45.9351 175.2697 41 K 4.2751 9.0536 124.4876 54.8927 34.6210 175.7249 42 N 4.0577 10.1401 126.6480 54.2568 36.7408 175.5316 43 G 3.9402 8.4694 104.1341 45.3680 0.0000 173.8264 44 E 4.6544 7.6942 119.2108 53.7583 32.2793 175.4825 45 R 4.3571 8.4184 122.9283 56.3940 30.6188 176.1426 46 I 4.1058 8.4383 127.3188 61.1440 37.9290 175.9856 47 E 4.3165 8.9154 123.2652 58.2471 30.3704 179.5972 48 K 4.3243 7.8264 117.9156 57.5625 32.3882 176.8566 49 V 3.6350 7.2096 118.7441 63.5121 31.7078 175.5753 50 E 4.4474 8.6931 127.5583 55.7270 31.2225 174.9460 51 H 5.2388 7.8724 116.2013 54.1186 32.2173 172.5777 52 S 4.6527 8.9447 113.3631 57.0295 66.7190 172.1622 53 D 4.9856 8.7584 122.5893 52.7398 42.1116 175.4621 54 L 4.7348 8.9710 125.5796 54.7538 42.4876 176.9726 55 S 4.5998 9.0191 116.1111 58.5542 63.8528 174.3548 56 F 4.7676 8.8259 128.7554 57.2277 39.7449 175.4086 *57 S 4.3677 8.2720 124.4012 62.2273 61.0762 170.9086 *58 K 4.0237 7.4538 131.1671 54.0934 31.5681 174.3404 *59 D 4.7489 7.1368 118.0348 53.0123 42.4545 179.2109 *60 W 3.1862 7.6796 117.1577 58.6176 25.7776 180.3479 61 S 4.6845 7.3308 117.0815 57.5210 63.7690 172.4329 62 F 5.0283 7.8222 122.8637 55.8002 41.3706 174.7547 63 Y 4.8353 8.7493 121.3535 57.3568 42.0753 173.5942 64 L 5.1910 9.2595 125.5635 52.6219 45.2286 175.4656 65 L 5.2779 8.7553 125.0578 53.5491 44.9208 174.3809 66 Y 5.2043 9.2907 124.3447 56.4807 40.6069 174.4174 67 Y 5.3931 8.6852 121.0406 56.3370 42.1274 173.6412 68 T 5.1260 9.2498 114.8782 60.6015 71.4666 172.4121 69 E 3.6777 8.7372 128.7386 56.0594 30.4859 175.4805 70 F 4.8781 8.9499 120.0710 56.2501 42.1494 173.1196 71 T 4.6766 8.1598 116.0808 60.7630 70.1045 172.6122 72 P 4.6010 0.0000 0.0000 62.8282 32.7796 175.5764 73 T 4.9510 8.2981 110.5830 59.3288 72.1280 173.4674 74 E 4.0881 8.9656 121.9379 58.7648 29.5241 177.5043 75 K 4.4926 7.7699 114.3848 56.3135 33.8977 176.2270 76 D 4.4085 7.9428 119.5338 54.2881 41.2998 175.3728 77 E 4.8471 8.3488 122.7525 54.9874 32.2782 174.4882 78 Y 5.4096 8.5975 118.4242 55.6152 42.2105 174.2591 79 A 4.6407 8.2722 120.8879 51.4162 22.9272 175.4380 80 C 5.3648 8.7292 118.8078 54.6915 47.2650 173.0232 81 R 4.5724 9.4109 126.5473 54.5208 32.2342 174.2338 82 V 4.4896 8.3629 126.5985 61.3352 33.1191 174.2950 83 N 4.8255 9.0049 126.3433 51.8971 40.6434 174.1554 84 H 4.5241 8.5992 123.2355 56.1560 30.7409 174.3947 85 V 3.9900 8.8511 127.5045 62.0616 32.3944 175.1220 86 T 4.4308 8.2645 124.4652 61.7833 70.0396 173.9148 87 L 4.4577 8.3171 126.6879 53.6364 42.8202 176.0560 88 S 4.5693 7.9565 116.3851 57.0594 66.7402 173.2275 89 Q 3.3787 8.6766 117.3990 56.3526 25.6896 172.8939 90 P 4.4359 0.0000 0.0000 62.7036 32.5611 176.5801 91 K 4.6545 8.3797 119.4499 54.6696 35.6925 175.6982 92 I 4.5482 8.3307 123.0462 59.3482 40.1078 175.0900 93 V 4.3578 8.2130 123.4828 60.8388 33.6676 175.2684 94 K 4.2688 8.5704 126.5980 55.6614 32.8270 176.4365 95 W 4.6496 8.6794 131.8228 56.7812 30.8875 175.7756 96 D 4.2010 8.6203 124.5486 54.2039 40.8278 175.3837 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 6 M 8.06 4.89 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 7 I 7.98 5.06 1.97 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 0.87 1.00 0.00 0.00 8 Q 9.57 4.78 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 9 V 8.59 4.99 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 0.87 0.00 0.00 0.98 0.00 0.00 10 Y 8.43 5.11 0.00 3.12 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 11 S 8.66 5.28 0.00 4.34 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 12 R 8.92 4.19 0.00 1.94 2.30 0.00 3.27 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.52 0.00 13 H 8.24 5.11 0.00 3.23 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.28 0.00 2.07 2.03 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 15 A 8.56 4.09 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 16 E 8.48 4.55 0.00 1.94 1.74 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 2.23 2.27 0.00 17 N 8.83 4.59 0.00 2.74 2.77 0.00 0.00 7.43 7.65 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 18 G 9.00 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 19 K 7.27 4.47 0.00 1.85 1.66 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.56 7.81 20 S 8.42 4.15 0.00 3.81 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 21 N 8.86 5.02 0.00 2.64 2.24 0.00 0.00 6.73 7.50 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 22 F 8.90 5.33 0.00 3.02 2.97 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 23 L 9.14 4.65 0.00 0.27 0.97 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.73 5.48 0.00 1.51 2.18 0.00 0.00 6.17 7.29 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 25 C 10.04 5.05 0.00 2.89 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 26 Y 9.59 5.31 0.00 3.47 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 27 V 8.95 5.11 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 1.08 0.00 0.00 1.02 0.00 0.00 28 S 9.77 4.91 0.00 3.53 3.74 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 29 G 8.92 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.26 4.74 0.00 2.99 2.87 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 31 H 8.16 3.61 0.00 3.33 3.00 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.37 0.00 2.23 2.18 0.00 3.65 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 2.27 2.25 0.00 33 S 7.96 4.30 0.00 3.96 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 34 D 8.37 4.53 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 35 I 7.28 4.97 1.67 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 1.13 0.66 0.52 0.00 0.00 36 E 8.95 4.63 0.00 1.92 1.67 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 2.12 2.16 0.00 37 V 8.13 4.64 0.67 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 0.37 0.00 0.00 0.21 0.00 0.00 38 D 8.89 5.05 0.00 2.54 2.47 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 39 L 8.32 5.11 0.00 1.59 1.55 0.93 0.54 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 40 L 8.77 5.25 0.00 1.53 1.43 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.05 4.28 0.00 1.71 1.56 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.14 0.85 7.81 42 N 10.14 4.06 0.00 2.69 2.77 0.00 0.00 7.18 7.53 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 43 G 8.47 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 0.00 0.00 0.00 44 E 7.69 4.65 0.00 1.95 1.79 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 2.34 2.31 0.00 45 R 8.42 4.36 0.00 1.74 1.83 0.00 3.32 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 46 I 8.44 4.11 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.96 0.00 0.00 47 E 8.92 4.32 0.00 2.03 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 2.35 2.32 0.00 48 K 7.83 4.32 0.00 1.77 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 49 V 7.21 3.63 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 0.83 0.00 0.00 0.99 0.00 0.00 50 E 8.69 4.45 0.00 1.16 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 2.14 2.34 0.00 51 H 7.87 5.24 0.00 2.44 2.74 0.00 5.51 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.94 4.65 0.00 3.89 4.11 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 0.00 0.00 0.00 53 D 8.76 4.99 0.00 2.73 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 54 L 8.97 4.73 0.00 1.67 1.66 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 S 9.02 4.60 0.00 3.70 3.70 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 56 F 8.83 4.77 0.00 3.05 2.97 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 *57 S 8.27 4.37 0.00 3.67 3.70 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 *58 K 7.45 4.02 0.00 1.85 1.97 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.16 0.78 7.81 *59 D 7.14 4.75 0.00 2.57 2.50 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 *60 W 7.68 3.19 0.00 2.66 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 61 S 7.33 4.68 0.00 3.98 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 62 F 7.82 5.03 0.00 2.78 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 63 Y 8.75 4.84 0.00 2.91 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 64 L 9.26 5.19 0.00 1.75 1.60 1.12 0.41 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 65 L 8.76 5.28 0.00 1.81 1.59 1.16 0.56 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 66 Y 9.29 5.20 0.00 2.89 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 67 Y 8.69 5.39 0.00 3.23 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 68 T 9.25 5.13 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 1.14 0.00 0.00 69 E 8.74 3.68 0.00 1.29 1.57 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 1.90 1.47 0.00 70 F 8.95 4.88 0.00 3.00 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 71 T 8.16 4.68 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 1.15 0.00 0.00 72 P 0.00 4.60 0.00 2.05 1.89 0.00 3.35 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.61 0.00 73 T 8.30 4.95 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 1.30 0.00 0.00 74 E 8.97 4.09 0.00 1.96 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 2.32 2.36 0.00 75 K 7.77 4.49 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.43 7.81 76 D 7.94 4.41 0.00 2.89 2.47 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 77 E 8.35 4.85 0.00 1.76 1.79 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 2.28 2.23 0.00 78 Y 8.60 5.41 0.00 2.77 2.71 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 79 A 8.27 4.64 1.20 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 0.00 0.00 80 C 8.73 5.36 0.00 2.95 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 81 R 9.41 4.57 0.00 1.81 1.67 0.00 3.06 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 82 V 8.36 4.49 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 0.64 0.00 0.00 0.84 0.00 0.00 83 N 9.00 4.83 0.00 2.63 2.61 0.00 0.00 6.22 8.11 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 84 H 8.60 4.52 0.00 2.98 3.14 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.85 3.99 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 0.73 0.00 0.00 0.86 0.00 0.00 86 T 8.26 4.43 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 1.20 0.00 0.00 87 L 8.32 4.46 0.00 1.60 1.57 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.96 4.57 0.00 3.89 3.77 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 89 Q 8.68 3.38 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 90 P 0.00 4.44 0.00 2.17 2.05 0.00 3.70 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 1.98 1.98 0.00 91 K 8.38 4.65 0.00 1.71 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.57 7.81 92 I 8.33 4.55 1.88 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 1.31 0.62 0.93 0.00 0.00 93 V 8.21 4.36 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 0.88 0.00 0.00 0.95 0.00 0.00 94 K 8.57 4.27 0.00 1.82 1.77 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.45 7.81 95 W 8.68 4.65 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 96 D 8.62 4.20 0.00 2.57 2.41 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 * Residues marked with a * may have inaccurate shift predictions.