NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3437 8.2649 123.5809 52.4193 19.7884 176.1476 2 S 4.2788 8.4434 112.5937 57.1580 64.0995 172.7352 3 A 3.7865 7.7173 129.6100 49.3911 17.7191 177.6619 4 A 5.7411 6.9795 131.1462 52.4186 22.6471 177.3145 5 K 4.4272 7.1341 120.2543 57.1370 31.0148 177.1296 6 G 3.7475 8.9076 124.4941 46.8710 0.0000 176.8956 7 D 3.3700 6.6990 114.3295 49.8522 44.6342 175.7666 8 H 3.4867 8.4789 116.3977 57.3509 28.1719 176.4150 9 G 4.1553 8.5201 107.8781 48.2566 0.0000 174.2771 10 G 3.8947 7.1264 112.5079 43.1120 0.0000 174.6102 *12 G 3.8233 8.5877 113.3809 43.7429 0.0000 172.1521 13 A 4.1577 8.5520 121.0382 55.4937 18.1113 179.9085 14 R 3.9059 8.0238 116.3790 59.8160 30.2391 178.7326 15 T 3.8798 7.8980 115.0202 66.5715 68.4608 176.5746 16 W 4.0010 8.0835 120.7985 59.6995 29.0909 178.6354 17 R 3.8169 8.6124 119.1813 59.2164 29.4242 178.3154 18 F 4.3862 8.4664 120.7512 61.3565 39.3351 177.1751 19 L 3.8998 8.1679 118.7821 57.7126 41.2840 179.3836 20 T 3.7506 8.0672 116.0299 66.8563 68.2173 176.4619 21 F 4.8033 7.9943 117.5962 59.3909 39.2800 177.5906 22 G 4.1125 8.5283 104.0153 45.1073 0.0000 173.5798 23 L 4.5272 7.6546 119.7754 56.2562 44.4320 178.1335 24 A 3.9918 8.6284 120.5015 55.2688 18.2307 179.6862 25 L 4.0039 8.3345 117.9196 57.3780 41.6926 177.6269 26 P 4.2582 0.0000 0.0000 65.8694 31.1786 178.6525 27 S 4.0747 8.1632 113.6165 61.6670 62.7364 176.8048 28 V 3.5266 7.8432 120.5834 65.9628 31.1831 177.9161 29 A 3.9440 8.2988 120.6417 55.0420 18.1779 179.4438 30 L 3.8655 8.0754 117.6605 58.4016 41.7766 179.4636 31 C 3.9154 8.3376 116.7868 63.3791 27.9318 176.5476 32 T 3.3704 8.0653 117.5294 66.2214 67.6674 176.2900 33 L 3.9389 7.6458 121.6967 58.1214 42.4849 178.0910 34 N 4.2250 8.4118 117.2061 56.6875 38.4710 177.1004 35 S 4.2466 7.4714 115.6099 60.7001 63.5603 176.2488 36 W 5.2764 8.1600 120.2604 56.7984 29.6970 177.1774 37 L 4.7759 7.8087 116.8662 56.9386 46.5783 177.3913 38 H 4.7371 8.0722 112.2196 55.9496 28.5905 175.4190 39 S 4.6473 8.1058 115.0623 57.1048 65.0480 173.5484 40 G 3.8931 8.5109 106.9967 46.0776 0.0000 173.0706 41 H 4.4506 8.1481 119.4426 55.5383 29.3736 175.7892 42 R 4.2940 8.3238 122.9497 54.9087 31.1595 175.8934 43 E 4.0350 8.5579 121.3800 55.6797 29.6392 176.9309 44 R 4.0671 8.4860 123.5455 55.8960 29.9037 174.5084 45 P 4.6174 0.0000 0.0000 61.2959 32.7681 175.4543 46 A 4.0047 8.6493 121.5864 52.5978 18.5805 177.5319 47 F 4.2869 9.1439 125.3065 58.2898 40.0776 174.5350 48 I 3.8888 7.0429 127.5219 58.5745 40.1992 175.0181 49 P 4.1124 0.0000 0.0000 61.6105 29.2734 176.5974 50 Y 4.2950 7.1098 116.3236 60.0950 38.6410 177.7652 51 H 4.5776 9.1173 120.0593 56.8855 29.2117 175.4228 52 H 4.7431 8.1466 114.1072 55.3013 29.0374 173.9983 53 L 4.7094 7.1164 118.3007 53.0629 45.4217 175.9660 54 R 3.7759 8.5550 115.9410 57.5341 27.3934 177.3044 55 I 3.9383 7.3833 116.9094 61.5876 38.1747 177.6527 56 R 4.3107 8.1079 123.0388 55.0194 31.2620 174.4505 57 T 4.3277 7.8739 111.4068 61.5135 70.3253 175.4267 58 K 4.3619 7.1397 121.1415 54.3807 35.0312 173.1990 59 P 4.1855 0.0000 0.0000 61.9913 32.2168 176.5146 60 F 3.9584 7.7656 120.3934 57.9234 39.1721 175.2934 61 S 4.6166 7.8969 117.0683 58.0866 63.4151 174.1479 62 W 5.1785 7.5982 115.0630 55.7517 31.6430 176.8223 63 G 3.8249 8.4131 109.4481 47.2424 0.0000 173.8285 64 D 4.5733 8.9011 124.1936 52.6903 39.6023 177.5189 65 G 4.2034 8.3379 108.6531 45.9089 0.0000 174.3463 66 N 4.9605 8.6403 115.9239 53.2107 40.1077 173.3404 67 H 4.8738 8.1000 113.9734 54.6127 31.3290 174.4366 68 T 3.6254 8.1985 113.1059 60.7411 69.7461 175.2599 69 F 3.1854 8.7107 124.0792 60.3873 39.3274 175.9244 70 F 5.1425 7.5606 118.0184 56.4249 39.5506 175.2066 71 H 4.0168 7.9019 119.6258 56.8661 30.2623 173.5893 72 N 4.8357 8.4066 124.0801 51.0083 39.5141 172.4573 73 P 4.3097 0.0000 0.0000 65.7391 31.7664 178.9110 74 R 3.9779 8.0524 116.9823 58.7147 29.9399 177.3412 75 V 4.4557 7.3013 103.9130 60.6250 33.4496 175.1167 76 N 4.9175 8.5028 118.2569 50.4255 38.8715 172.7404 77 P 4.0840 0.0000 0.0000 62.1009 32.2569 176.5207 78 L 4.3380 8.0422 120.6572 53.2465 42.5253 176.2731 79 P 4.3963 0.0000 0.0000 65.4558 31.1248 177.6021 80 T 4.2593 8.6709 105.6010 60.9305 69.9670 173.8882 81 G 2.0000 6.6801 108.5853 43.0850 0.0000 172.7728 82 Y 4.4410 7.3691 117.2566 57.9333 38.3861 176.2959 83 E 4.2403 8.5918 121.9361 55.6569 30.5087 177.3200 84 K 4.0254 8.7673 119.9975 57.2455 32.1026 176.7522 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 1 A 8.26 4.34 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 2 S 8.44 4.28 0.00 3.88 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 3 A 7.72 3.79 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 4 A 6.98 5.74 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 5 K 7.13 4.43 0.00 1.61 0.74 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.31 7.81 6 G 8.91 3.75 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 0.00 0.00 0.00 7 D 6.70 3.37 0.00 2.64 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 8 H 8.48 3.49 0.00 3.22 3.34 0.00 5.99 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 9 G 8.52 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 10 G 7.13 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 *12 G 8.59 3.82 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 0.00 0.00 0.00 13 A 8.55 4.16 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 14 R 8.02 3.91 0.00 1.94 1.99 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 15 T 7.90 3.88 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 0.75 0.00 0.00 16 W 8.08 4.00 0.00 3.55 3.37 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 17 R 8.61 3.82 0.00 1.99 2.19 0.00 3.21 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 18 F 8.47 4.39 0.00 3.30 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 19 L 8.17 3.90 0.00 1.73 1.56 -0.06 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.07 3.75 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 0.73 0.00 0.00 21 F 7.99 4.80 0.00 3.14 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 22 G 8.53 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 0.00 0.00 0.00 23 L 7.65 4.53 0.00 1.62 1.75 0.89 0.98 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 24 A 8.63 3.99 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 25 L 8.33 4.00 0.00 1.83 1.82 1.15 0.97 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 26 P 0.00 4.26 0.00 2.18 2.15 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 27 S 8.16 4.07 0.00 4.04 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 28 V 7.84 3.53 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 1.04 0.00 0.00 0.99 0.00 0.00 29 A 8.30 3.94 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 30 L 8.08 3.87 0.00 1.80 1.70 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.34 3.92 0.00 2.82 2.86 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 32 T 8.07 3.37 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 0.80 0.00 0.00 33 L 7.65 3.94 0.00 1.82 1.88 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.41 4.22 0.00 2.70 2.72 0.00 0.00 7.36 8.18 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 35 S 7.47 4.25 0.00 3.59 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 36 W 8.16 5.28 0.00 3.18 2.95 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 37 L 7.81 4.78 0.00 1.92 1.87 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.07 4.74 0.00 3.18 3.36 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.11 4.65 0.00 4.07 4.37 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 40 G 8.51 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 8.15 4.45 0.00 3.17 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.32 4.29 0.00 1.84 1.88 0.00 3.25 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 43 E 8.56 4.03 0.00 1.93 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 2.28 2.24 0.00 44 R 8.49 4.07 0.00 1.95 1.86 0.00 2.21 0.00 0.00 2.97 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 45 P 0.00 4.62 0.00 2.31 2.17 0.00 4.03 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 46 A 8.65 4.00 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 47 F 9.14 4.29 0.00 3.00 3.12 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 48 I 7.04 3.89 1.18 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 -0.16 0.00 0.00 49 P 0.00 4.11 0.00 2.05 2.13 0.00 3.36 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 50 Y 7.11 4.29 0.00 2.93 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 51 H 9.12 4.58 0.00 3.21 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.15 4.74 0.00 3.26 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.12 4.71 0.00 1.64 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.56 3.78 0.00 1.93 1.98 0.00 3.35 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 55 I 7.38 3.94 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.89 0.00 0.00 56 R 8.11 4.31 0.00 1.66 1.69 0.00 3.09 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 57 T 7.87 4.33 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 1.17 0.00 0.00 58 K 7.14 4.36 0.00 1.59 1.51 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.35 7.81 59 P 0.00 4.19 0.00 1.94 1.83 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 60 F 7.77 3.96 0.00 2.34 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 61 S 7.90 4.62 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 62 W 7.60 5.18 0.00 3.42 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 63 G 8.41 3.82 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 0.00 0.00 0.00 64 D 8.90 4.57 0.00 2.80 2.78 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 65 G 8.34 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 0.00 0.00 0.00 0.00 66 N 8.64 4.96 0.00 2.60 2.90 0.00 0.00 7.00 7.96 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 67 H 8.10 4.87 0.00 3.18 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.20 3.63 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 1.34 0.00 0.00 69 F 8.71 3.19 0.00 2.33 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 0.00 0.00 0.00 0.00 70 F 7.56 5.14 0.00 3.16 3.02 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 0.00 0.00 0.00 71 H 7.90 4.02 0.00 3.34 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.41 4.84 0.00 2.74 2.66 0.00 0.00 7.20 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 73 P 0.00 4.31 0.00 2.23 2.17 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 74 R 8.05 3.98 0.00 1.92 1.91 0.00 3.27 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 75 V 7.30 4.46 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 0.78 0.00 0.00 0.98 0.00 0.00 76 N 8.50 4.92 0.00 2.73 2.84 0.00 0.00 6.97 7.66 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 77 P 0.00 4.08 0.00 1.66 0.59 0.00 3.77 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 2.00 1.79 0.00 78 L 8.04 4.34 0.00 1.61 1.55 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.40 0.00 2.03 2.15 0.00 3.62 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 2.15 2.24 0.00 80 T 8.67 4.26 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 1.19 0.00 0.00 81 G 6.68 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.37 4.44 0.00 2.95 2.86 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 83 E 8.59 4.24 0.00 2.05 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 0.00 2.34 2.37 0.00 84 K 8.77 4.03 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.