NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.3173 8.3601 120.1727 53.8793 42.4657 176.0133 4 A 4.1420 7.6897 121.0601 50.1517 18.9968 177.0773 5 K 4.1733 9.0761 126.6785 54.2983 33.6189 171.1403 6 P 3.7116 0.0000 0.0000 62.7626 32.1304 176.6599 7 R 4.6198 8.8907 124.8156 55.0946 33.1528 171.2144 8 V 4.7650 8.5980 119.4443 58.9265 35.2550 175.9680 9 K 4.6677 8.9482 128.3141 53.4934 34.3437 174.6246 10 V 4.5954 8.2217 124.6958 58.6374 34.0842 172.6255 11 P 4.3004 0.0000 0.0000 63.1675 31.9032 176.5482 12 S 4.5693 8.7190 116.1635 60.9184 64.1822 173.7137 13 S 5.3265 7.9171 112.6189 57.1204 66.1019 173.0291 14 A 4.8125 9.0374 123.8077 50.9807 23.1603 176.6471 15 K 4.2631 9.2323 120.9845 53.6808 32.5638 177.9565 16 A 4.2805 8.3707 125.3910 53.4981 18.5995 178.2477 17 G 3.9884 9.3705 112.4599 44.2577 0.0000 173.3407 18 E 4.4040 8.0047 118.2318 56.0702 31.6413 175.6850 19 T 5.0434 8.3818 117.7880 62.6544 69.9126 174.5401 20 V 4.4996 8.9120 126.4725 60.1136 34.2019 174.9085 21 T 4.7472 8.5081 121.0649 63.0471 69.6203 174.0404 22 V 4.3073 8.4901 126.5031 60.8018 34.3612 174.2673 23 K 4.7520 8.7025 126.3454 54.3631 35.3568 174.8727 24 A 5.0703 8.8245 126.6237 49.9942 21.9937 174.5033 25 L 5.2639 9.2461 124.5563 53.4307 46.0475 175.0605 26 I 4.8173 8.4125 122.9927 58.6577 42.3165 173.6165 27 S 4.9576 8.1823 122.3981 58.0179 64.7386 172.3981 28 H 4.6203 9.2632 123.7262 55.6986 33.1284 175.4387 29 K 3.8322 8.8953 127.2150 56.3305 32.0858 174.8089 30 M 3.2934 8.3259 116.4076 55.7940 29.4651 177.3125 31 E 3.9769 8.0629 118.9996 56.6347 30.3636 177.3480 32 S 4.1131 8.7115 121.7663 59.5286 63.5308 175.4235 33 G 4.2478 8.0921 107.7582 43.9566 0.0000 174.4038 34 Q 3.4026 8.4724 122.1419 57.5013 27.6626 175.1795 *42 L 4.3334 8.7433 121.3869 54.2982 44.3776 179.6133 43 I 4.2946 7.8152 121.5083 59.0118 37.4975 173.4883 44 P 4.6060 0.0000 0.0000 62.2967 31.8497 176.5091 45 R 4.1980 8.5728 123.7877 57.5682 30.7418 176.5310 46 S 4.7288 9.1639 121.4813 57.5912 64.2097 172.7454 47 I 4.8512 9.3560 120.5145 58.3364 41.5423 174.9226 48 I 4.4261 8.2810 123.9730 61.5706 37.4055 175.8288 49 N 5.1408 9.2336 122.2019 52.1578 38.9461 174.2394 50 R 5.0917 7.7812 118.7152 55.5624 33.9401 172.9853 51 F 5.3784 9.1519 127.1658 56.6258 42.9019 173.4214 52 T 4.4460 8.1632 115.4387 59.6454 72.4443 172.1964 53 C 4.7128 8.0992 122.8866 57.5531 34.5150 172.5191 54 E 5.0447 8.8863 124.9980 54.3063 33.4305 174.5483 55 L 4.3617 8.5885 124.3570 53.5670 45.0103 176.2496 56 N 4.1484 9.7906 124.8431 54.3125 36.7783 176.0648 57 G 3.9598 8.3460 104.1675 44.3471 0.0000 173.9142 58 V 4.1931 7.3508 120.3264 60.4067 33.0649 174.5412 59 N 4.4985 8.5525 125.8765 53.9644 39.4148 173.9155 60 V 4.0814 8.5264 126.5942 64.6036 32.1538 176.0529 61 V 4.3976 7.0014 111.9932 59.5458 36.4454 173.7178 62 D 4.6848 8.3145 121.6751 52.8595 43.8331 174.4553 63 V 4.2646 8.7517 127.1917 60.8609 33.6938 174.2879 64 A 4.5583 8.5690 130.3205 51.5201 19.3452 176.1801 65 I 4.5477 8.7080 123.8004 59.7182 40.1149 175.4691 66 D 4.8468 8.5920 126.1940 51.7403 43.1287 175.5089 67 P 4.3820 0.0000 0.0000 64.9459 31.2446 177.5150 68 A 4.2747 7.8751 119.5135 52.7486 18.8935 177.8179 69 V 3.8368 7.5996 116.4520 62.3230 32.1770 176.1759 70 S 4.3666 8.3659 121.8373 58.2657 63.4284 174.2738 71 T 3.8172 8.3806 118.6530 65.6341 68.9837 173.8902 72 N 4.8365 8.5856 120.4194 52.2472 36.3525 172.2799 73 P 4.2457 0.0000 0.0000 63.0960 33.1733 175.5660 74 Y 4.9735 7.8911 123.8745 55.7080 41.6048 174.4640 75 F 4.8557 8.3175 124.3106 55.5540 43.2016 173.4256 76 E 5.2485 8.8099 122.8348 53.4417 32.8271 174.1911 77 F 4.8501 7.3468 119.0266 56.7032 41.3279 171.7092 78 D 5.4629 9.0857 117.8786 52.5505 43.4972 175.5670 79 A 4.9363 9.3159 125.4319 50.1023 22.1679 175.2111 80 K 4.5647 8.6605 122.2624 55.3218 33.5471 176.1299 81 V 4.1935 8.6728 128.7194 61.7578 31.9611 175.4935 82 D 4.7326 8.6488 128.2376 55.5002 41.7618 176.0577 83 A 4.5627 7.3820 117.9090 50.2364 22.4055 175.7265 84 A 4.1469 8.7217 121.2406 52.3340 19.2900 177.5722 85 G 4.3549 7.9155 106.3432 46.8137 0.0000 171.1446 86 E 5.1868 8.0880 118.4746 54.5376 32.1037 175.8702 87 F 4.7054 9.3006 123.5762 56.8497 40.8084 174.5013 88 K 4.9542 8.9100 124.0888 54.6111 35.0975 174.4973 89 F 5.0158 9.5819 126.2626 55.9496 41.9406 174.6605 90 T 5.0782 8.2871 119.5440 61.5610 72.3303 172.7901 91 W 5.4475 9.8738 126.3583 55.1972 32.4034 174.2077 92 Y 4.8113 9.3086 122.1948 56.3104 39.9671 174.4138 93 D 5.2090 8.9529 124.7580 53.0453 42.5834 176.9783 94 D 4.4868 9.3111 125.6370 57.5634 40.9959 177.5347 95 D 4.5926 8.7559 116.4469 53.4956 39.6489 177.1359 96 G 4.0335 8.0801 109.3260 45.4199 0.0000 174.5018 97 S 4.3511 8.3134 115.8891 58.5926 64.0363 173.7539 98 V 4.4452 7.8454 114.1648 59.6120 35.3887 174.5647 99 Y 4.9800 8.5561 120.6940 56.3996 40.7558 174.6728 100 E 5.5337 9.1091 122.6857 54.7707 33.7233 174.7422 101 D 4.9938 9.6562 122.2532 52.7797 45.1003 173.9992 102 V 5.1475 8.6947 124.8631 61.1211 34.5086 174.5432 103 K 4.8498 9.2797 128.5547 54.4619 35.6770 173.6717 104 P 5.0643 0.0000 0.0000 62.7235 32.8897 175.1909 105 I 4.9088 9.3394 121.2396 59.3016 41.3379 173.8751 106 A 4.5316 9.0904 130.9911 51.1380 20.4235 175.7203 107 V 4.5592 8.7116 116.6690 58.2369 35.0350 175.3836 108 A 4.0482 7.9837 127.9973 52.7125 18.4098 177.4663 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 3 D 8.36 4.32 0.00 2.58 2.62 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 4 A 7.69 4.14 0.19 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 5 K 9.08 4.17 0.00 1.75 1.53 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.31 7.81 6 P 0.00 3.71 0.00 1.94 1.60 0.00 3.55 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.81 0.00 7 R 8.89 4.62 0.00 1.43 1.74 0.00 3.20 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 8 V 8.60 4.76 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.76 0.00 0.00 9 K 8.95 4.67 0.00 1.37 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.21 7.81 10 V 8.22 4.60 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 0.79 0.00 0.00 0.54 0.00 0.00 11 P 0.00 4.30 0.00 2.11 2.09 0.00 3.65 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 2.05 2.11 0.00 12 S 8.72 4.57 0.00 3.94 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 13 S 7.92 5.33 0.00 3.91 3.85 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 14 A 9.04 4.81 1.30 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 0.00 0.00 15 K 9.23 4.26 0.00 1.69 1.69 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.26 7.81 16 A 8.37 4.28 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 17 G 9.37 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 18 E 8.00 4.40 0.00 2.10 2.23 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 2.39 2.32 0.00 19 T 8.38 5.04 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 20 V 8.91 4.50 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 1.11 0.00 0.00 0.95 0.00 0.00 21 T 8.51 4.75 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 1.14 0.00 0.00 22 V 8.49 4.31 0.93 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 0.89 0.00 0.00 0.66 0.00 0.00 23 K 8.70 4.75 0.00 1.65 1.64 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.26 7.81 24 A 8.82 5.07 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 25 L 9.25 5.26 0.00 1.82 1.47 1.03 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.41 4.82 0.56 0.00 0.00 -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 0.35 1.02 0.57 0.00 0.00 27 S 8.18 4.96 0.00 3.82 3.86 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 28 H 9.26 4.62 0.00 3.07 3.09 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.90 3.83 0.00 1.81 1.72 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.36 1.04 7.81 30 M 8.33 3.29 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.71 0.00 31 E 8.06 3.98 0.00 2.06 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 2.40 2.46 0.00 32 S 8.71 4.11 0.00 4.04 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 33 G 8.09 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 0.00 0.00 0.00 34 Q 8.47 3.40 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 *42 L 8.74 4.33 0.00 1.69 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.82 4.29 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 1.30 1.01 0.92 0.00 0.00 44 P 0.00 4.61 0.00 1.95 2.00 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 R 8.57 4.20 0.00 2.02 1.87 0.00 3.28 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 46 S 9.16 4.73 0.00 3.89 3.78 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 47 I 9.36 4.85 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.98 0.00 0.00 48 I 8.28 4.43 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.36 1.39 0.00 0.00 49 N 9.23 5.14 0.00 2.79 3.24 0.00 0.00 6.27 7.20 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 50 R 7.78 5.09 0.00 1.82 1.78 0.00 2.80 0.00 0.00 2.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 51 F 9.15 5.38 0.00 3.01 2.36 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 52 T 8.16 4.45 3.92 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 1.12 0.00 0.00 53 C 8.10 4.71 0.00 2.83 2.36 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 54 E 8.89 5.04 0.00 1.75 1.65 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 2.07 2.03 0.00 55 L 8.59 4.36 0.00 1.26 1.28 -0.16 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.79 4.15 0.00 2.78 2.74 0.00 0.00 6.58 8.08 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 57 G 8.35 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 0.00 0.00 0.00 58 V 7.35 4.19 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 0.93 0.00 0.00 0.92 0.00 0.00 59 N 8.55 4.50 0.00 2.61 2.61 0.00 0.00 7.02 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 60 V 8.53 4.08 2.16 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 1.01 0.00 0.00 1.05 0.00 0.00 61 V 7.00 4.40 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 0.37 0.00 0.00 -0.22 0.00 0.00 62 D 8.31 4.68 0.00 2.44 2.36 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 63 V 8.75 4.26 1.69 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 0.60 0.00 0.00 0.66 0.00 0.00 64 A 8.57 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 65 I 8.71 4.55 2.05 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 1.20 0.00 0.00 66 D 8.59 4.85 0.00 2.81 2.61 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 67 P 0.00 4.38 0.00 2.07 2.27 0.00 3.71 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 2.06 2.13 0.00 68 A 7.88 4.27 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 69 V 7.60 3.84 2.22 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 0.88 0.00 0.00 1.10 0.00 0.00 70 S 8.37 4.37 0.00 3.87 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 71 T 8.38 3.82 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 1.27 0.00 0.00 72 N 8.59 4.84 0.00 2.79 2.83 0.00 0.00 6.97 7.56 0.00 0.00 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 P 0.00 4.25 0.00 2.21 2.03 0.00 3.66 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 2.25 2.18 0.00 74 Y 7.89 4.97 0.00 2.73 2.57 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 0.00 0.00 0.00 75 F 8.32 4.86 0.00 2.79 2.96 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 76 E 8.81 5.25 0.00 1.67 1.78 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 2.14 2.11 0.00 77 F 7.35 4.85 0.00 3.24 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 78 D 9.09 5.46 0.00 2.62 2.64 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 79 A 9.32 4.94 1.54 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 80 K 8.66 4.56 0.00 1.79 1.76 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.60 7.81 81 V 8.67 4.19 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 0.97 0.00 0.00 1.07 0.00 0.00 82 D 8.65 4.73 0.00 2.72 2.67 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 83 A 7.38 4.56 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 84 A 8.72 4.15 1.22 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 85 G 7.92 4.35 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 0.00 86 E 8.09 5.19 0.00 1.87 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 2.32 2.29 0.00 87 F 9.30 4.71 0.00 3.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.95 0.00 1.72 1.49 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.39 7.81 89 F 9.58 5.02 0.00 3.11 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.29 5.08 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 0.57 0.00 0.00 91 W 9.87 5.45 0.00 3.55 3.24 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 0.00 0.00 0.00 0.00 92 Y 9.31 4.81 0.00 2.96 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 93 D 8.95 5.21 0.00 2.82 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 94 D 9.31 4.49 0.00 2.73 2.80 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 95 D 8.76 4.59 0.00 2.79 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 96 G 8.08 4.03 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 0.00 0.00 0.00 97 S 8.31 4.35 0.00 3.66 3.58 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 98 V 7.85 4.45 1.70 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 0.45 0.00 0.00 0.80 0.00 0.00 99 Y 8.56 4.98 0.00 3.08 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 0.00 100 E 9.11 5.53 0.00 1.88 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 2.19 2.26 0.00 101 D 9.66 4.99 0.00 3.08 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 0.00 102 V 8.69 5.15 2.18 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 1.00 0.00 0.00 1.01 0.00 0.00 103 K 9.28 4.85 0.00 2.03 1.91 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 P 0.00 5.06 0.00 2.17 2.08 0.00 3.86 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 2.05 2.01 0.00 105 I 9.34 4.91 2.21 0.00 0.00 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 1.25 1.65 0.89 0.00 0.00 106 A 9.09 4.53 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 0.00 107 V 8.71 4.56 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 1.24 0.00 0.00 0.97 0.00 0.00 108 A 7.98 4.05 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 * Residues marked with a * may have inaccurate shift predictions.