NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3004 8.2644 123.5804 52.3607 19.7600 176.1201 2 S 4.2563 8.4907 111.6188 56.7183 63.9697 172.5714 3 A 3.6488 7.9266 127.5987 50.4607 16.9850 177.2715 4 A 5.3515 7.3397 130.4814 51.5986 21.8218 178.0565 5 K 4.5955 6.8985 118.9981 57.2028 32.5627 176.2364 6 G 4.1409 9.1195 114.7199 48.8471 0.0000 174.4486 7 D 3.4903 7.0064 114.8345 51.6488 43.3124 176.4938 8 H 3.3261 8.4540 117.9315 57.5164 28.7029 176.3257 9 G 4.0747 8.8663 108.5832 48.1521 0.0000 173.0571 10 G 3.7560 7.1790 107.8333 44.2154 0.0000 171.1005 *12 G 3.7973 8.4377 108.3454 45.0092 0.0000 173.1503 13 A 4.0774 8.7747 119.7533 55.5228 17.9478 179.5355 14 R 3.8964 8.1482 116.2466 60.0706 29.9774 178.4630 15 T 3.9165 7.9739 114.6775 66.7210 68.5401 176.5650 16 W 4.0425 8.2787 120.5084 59.3912 28.9435 178.6912 17 R 3.8273 8.2667 119.1822 58.9554 29.4727 177.9399 18 F 4.3975 8.5347 120.8939 61.7590 39.2785 177.1937 19 L 3.8684 8.1930 118.5564 57.8797 41.2936 179.6808 20 T 3.7738 7.8830 115.6510 66.8798 68.2130 176.7339 21 F 4.9214 7.8706 118.1388 59.6618 39.1357 177.3129 22 G 4.1291 8.6046 103.7014 44.7111 0.0000 173.2753 23 L 4.4965 7.6054 119.7462 56.3477 44.4140 178.1056 24 A 3.9442 8.4480 120.3001 55.3200 18.3218 179.6637 25 L 4.0042 8.4213 117.8421 57.4765 41.6593 177.9361 26 P 4.2960 0.0000 0.0000 65.7090 31.1897 178.7142 27 S 4.0942 8.0734 113.9190 61.5414 62.7477 176.9697 28 V 3.5074 7.8009 120.5440 65.8033 31.2194 177.7517 29 A 3.9960 8.3012 120.9175 55.2935 18.1846 179.4948 30 L 3.8979 8.0438 117.3844 58.3725 41.8889 179.6844 31 C 4.1249 8.2579 116.0225 62.4624 28.1119 176.1026 32 T 3.6741 7.7998 117.7654 65.6988 67.8273 176.8400 33 L 3.9177 7.9063 122.0294 58.2041 42.5463 177.8315 34 N 4.2681 8.1320 117.0820 57.1537 38.5221 176.9110 35 S 4.0230 7.5394 114.7951 60.4484 63.6753 175.6024 36 W 5.3678 7.6355 121.5799 56.1438 28.1903 175.5106 37 L 4.7171 7.6713 122.3741 56.8838 49.8100 175.5872 38 H 4.6468 8.6531 115.7214 57.1630 29.9680 176.0877 39 S 4.8446 7.7063 122.0353 56.0475 61.4616 175.4029 40 G 3.7132 9.1796 113.6914 45.1686 0.0000 172.3117 41 H 4.0499 8.6638 120.6407 56.4842 29.1387 174.9939 42 R 4.1932 8.5051 123.3910 54.8784 30.8682 175.5287 43 E 3.8410 8.9338 123.3820 56.2368 29.6470 176.7934 44 R 4.0476 8.5200 123.0995 55.8341 29.8526 174.6914 45 P 4.4981 0.0000 0.0000 61.7886 32.3956 175.7348 46 A 4.0534 8.6716 122.1842 52.8350 18.6463 177.3824 47 F 4.2923 8.9536 124.6226 58.0414 40.1877 174.8780 48 I 4.1179 6.6015 127.5457 59.0972 40.8053 174.4207 49 P 4.1499 0.0000 0.0000 61.4233 30.2563 176.5076 50 Y 4.2383 7.0938 116.2546 59.9319 38.6758 178.1133 51 H 4.3996 9.0205 120.6031 57.8502 29.2674 175.8282 52 H 4.5957 8.3272 113.1714 55.9000 28.9490 174.3924 53 L 4.7076 7.1355 119.3380 53.2216 44.5628 175.4467 54 R 3.9036 8.5993 115.1132 56.9647 27.5757 177.3022 55 I 3.7404 7.8556 116.6240 61.9655 37.6865 176.9303 56 R 4.2503 8.2357 122.8008 55.0911 31.6295 174.6010 57 T 4.3767 7.9816 112.1367 61.3046 70.3820 174.9723 58 K 4.3022 7.2592 121.5395 54.2684 35.0787 173.0915 59 P 4.1526 0.0000 0.0000 62.3374 32.0675 176.2262 60 F 3.8919 7.5753 119.2409 57.8403 39.0883 176.1240 61 S 4.4274 8.1661 118.3156 58.1768 62.6868 174.0050 62 W 5.2020 7.8142 116.2339 55.7692 31.7843 175.6368 63 G 3.7586 8.5548 108.4705 47.4366 0.0000 174.0924 64 D 4.5466 8.8993 124.3316 52.8843 39.7931 177.6203 65 G 3.7646 8.3131 108.0922 46.1818 0.0000 174.3693 66 N 4.9159 8.1380 115.5975 53.1208 39.9751 173.3789 67 H 4.8290 8.1067 114.5861 54.3435 30.9966 174.2490 68 T 3.5260 8.4309 114.5694 61.3238 69.2038 174.6859 69 F 3.2206 8.9140 125.1379 60.5826 39.3098 176.0746 70 F 5.0401 7.6899 117.8821 56.4030 39.5954 175.0297 71 H 3.9242 7.9333 119.8965 56.9803 30.1183 173.3965 72 N 4.8515 8.4707 124.5910 51.0355 40.0586 172.6317 73 P 4.2594 0.0000 0.0000 65.6952 31.7525 177.8859 74 R 4.0046 7.8855 117.1322 58.8336 29.8751 177.3190 75 V 4.4538 7.8907 106.4001 60.7212 33.5309 175.1436 76 N 4.8931 8.7206 118.3893 50.4620 38.2662 172.8611 77 P 4.2509 0.0000 0.0000 62.1824 32.2937 176.5500 78 L 4.3931 8.0118 120.2256 53.2117 42.5592 176.3721 79 P 4.3980 0.0000 0.0000 65.8992 31.1520 177.8734 80 T 4.0203 7.7615 105.6541 61.2553 69.5798 172.9801 81 G 2.0000 6.8716 108.1026 42.9816 0.0000 172.8788 82 Y 4.4264 7.5856 117.0518 58.0890 38.3182 176.0477 83 E 4.4839 8.4825 120.5699 54.9321 31.0311 177.0757 84 K 4.0477 8.6590 118.7202 57.2486 32.0881 177.0477 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 4.30 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 2 S 8.49 4.26 0.00 3.84 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 3 A 7.93 3.65 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 4 A 7.34 5.35 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 5 K 6.90 4.60 0.00 1.59 1.08 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.29 7.81 6 G 9.12 4.14 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 0.00 0.00 0.00 7 D 7.01 3.49 0.00 2.65 2.31 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 8 H 8.45 3.33 0.00 3.36 3.36 0.00 5.98 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 8.87 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.18 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 0.00 0.00 0.00 *12 G 8.44 3.80 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 0.00 13 A 8.77 4.08 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 8.15 3.90 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 15 T 7.97 3.92 4.29 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 0.83 0.00 0.00 16 W 8.28 4.04 0.00 3.43 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 17 R 8.27 3.83 0.00 1.94 2.15 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 18 F 8.53 4.40 0.00 3.17 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 19 L 8.19 3.87 0.00 1.74 1.58 -0.01 0.62 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 20 T 7.88 3.77 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 0.90 0.00 0.00 21 F 7.87 4.92 0.00 3.15 3.11 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 22 G 8.60 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 0.00 0.00 0.00 23 L 7.61 4.50 0.00 1.59 1.73 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.45 3.94 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 8.42 4.00 0.00 1.82 1.84 1.19 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.30 0.00 2.18 2.14 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 27 S 8.07 4.09 0.00 4.10 3.90 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 28 V 7.80 3.51 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 1.00 0.00 0.00 1.00 0.00 0.00 29 A 8.30 4.00 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 30 L 8.04 3.90 0.00 1.93 1.71 0.91 0.90 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 31 C 8.26 4.12 0.00 2.87 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 32 T 7.80 3.67 4.36 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 1.18 0.00 0.00 33 L 7.91 3.92 0.00 1.86 1.85 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.13 4.27 0.00 2.87 2.68 0.00 0.00 7.33 7.12 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 35 S 7.54 4.02 0.00 3.26 3.11 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 36 W 7.64 5.37 0.00 3.30 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 37 L 7.67 4.72 0.00 1.97 1.72 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.65 4.65 0.00 3.17 3.36 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.71 4.84 0.00 4.19 3.42 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 40 G 9.18 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 0.00 0.00 0.00 0.00 41 H 8.66 4.05 0.00 3.16 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.51 4.19 0.00 1.84 1.89 0.00 3.27 0.00 0.00 3.18 7.33 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 8.93 3.84 0.00 1.93 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 2.29 2.27 0.00 44 R 8.52 4.05 0.00 1.94 1.85 0.00 2.52 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 45 P 0.00 4.50 0.00 2.31 2.17 0.00 3.99 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 2.16 2.06 0.00 46 A 8.67 4.05 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 8.95 4.29 0.00 2.94 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 48 I 6.60 4.12 1.16 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.53 -0.08 0.00 0.00 49 P 0.00 4.15 0.00 2.10 2.26 0.00 3.50 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 50 Y 7.09 4.24 0.00 2.87 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 51 H 9.02 4.40 0.00 3.21 3.40 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 8.33 4.60 0.00 3.27 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.14 4.71 0.00 1.56 1.58 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.60 3.90 0.00 1.95 2.05 0.00 3.36 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 55 I 7.86 3.74 1.90 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 0.77 0.90 0.00 0.00 56 R 8.24 4.25 0.00 1.65 1.67 0.00 3.09 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 57 T 7.98 4.38 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 1.18 0.00 0.00 58 K 7.26 4.30 0.00 1.59 1.53 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.31 7.81 59 P 0.00 4.15 0.00 2.06 1.90 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 60 F 7.58 3.89 0.00 2.05 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 8.17 4.43 0.00 4.15 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 62 W 7.81 5.20 0.00 3.44 3.32 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 63 G 8.55 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 0.00 0.00 0.00 64 D 8.90 4.55 0.00 2.81 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 65 G 8.31 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 0.00 0.00 0.00 66 N 8.14 4.92 0.00 2.61 2.78 0.00 0.00 6.95 7.63 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 67 H 8.11 4.83 0.00 3.17 3.23 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.43 3.53 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 1.32 0.00 0.00 69 F 8.91 3.22 0.00 2.41 2.45 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 70 F 7.69 5.04 0.00 3.17 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 71 H 7.93 3.92 0.00 3.36 3.35 0.00 5.89 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 72 N 8.47 4.85 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 4.26 0.00 2.11 2.18 0.00 3.76 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 2.07 2.18 0.00 74 R 7.89 4.00 0.00 1.79 1.97 0.00 3.28 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 75 V 7.89 4.45 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 0.82 0.00 0.00 0.98 0.00 0.00 76 N 8.72 4.89 0.00 2.69 2.87 0.00 0.00 6.97 8.66 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 4.25 0.00 2.11 0.97 0.00 3.84 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 2.04 1.84 0.00 78 L 8.01 4.39 0.00 1.78 1.57 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.40 0.00 2.04 2.16 0.00 3.65 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 2.03 2.28 0.00 80 T 7.76 4.02 4.15 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 1.17 0.00 0.00 81 G 6.87 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 7.59 4.43 0.00 2.97 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 83 E 8.48 4.48 0.00 2.06 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 2.32 2.40 0.00 84 K 8.66 4.05 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.