NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3457 8.2644 123.5810 52.8391 19.7223 175.6461 2 S 4.2101 8.4251 105.1818 57.3787 66.0256 173.0336 3 A 3.8837 8.1732 127.3864 52.8843 17.6382 176.9988 4 A 4.6539 7.1843 123.9708 52.2634 20.8016 177.3529 5 K 4.5317 6.9747 119.8950 57.1569 30.9224 176.5999 6 G 4.1489 8.6263 116.3187 47.6192 0.0000 174.9340 7 D 3.3700 7.0202 113.2856 51.2149 43.4207 176.2433 8 H 4.0536 8.5554 116.7070 56.7951 28.2666 176.2317 9 G 3.8925 8.2792 108.0334 48.0126 0.0000 173.3131 10 G 3.7065 7.1976 112.3315 43.0002 0.0000 171.4466 *12 G 3.8357 8.4473 108.3896 44.2635 0.0000 172.7876 13 A 4.1925 8.4094 120.6308 55.1812 18.2297 179.7111 14 R 3.9027 8.0799 116.7275 59.8416 30.1078 178.7374 15 T 3.8919 7.9091 114.9049 66.6237 68.5012 176.5280 16 W 4.0411 8.0172 120.3785 59.7492 29.0468 178.6246 17 R 3.9222 8.5741 119.0115 59.2544 29.4515 178.2186 18 F 4.3437 8.4773 120.6768 61.5945 39.2769 177.2043 19 L 3.9346 8.2818 118.7236 57.8016 41.3439 179.6124 20 T 3.7701 8.1233 116.0455 66.7432 68.2014 176.5470 21 F 4.9538 8.0898 117.7599 59.2301 39.2498 177.4050 22 G 4.1651 8.5606 103.6591 44.7058 0.0000 173.3547 23 L 4.5217 7.6331 119.8998 56.2839 44.3570 178.0860 24 A 3.9373 8.4135 120.2655 55.3554 18.3429 179.6950 25 L 3.9829 8.4513 117.7870 57.3793 41.6542 177.9296 26 P 4.2802 0.0000 0.0000 65.6125 31.1757 178.6051 27 S 4.0973 8.0726 113.9893 61.6148 62.7054 176.8708 28 V 3.5074 7.7501 120.4653 66.0586 31.1885 177.8823 29 A 3.9703 8.1468 120.4090 55.0150 18.1080 179.3493 30 L 3.8958 8.2752 117.8684 58.5169 41.8211 179.7832 31 C 4.0678 8.3054 116.4886 62.9348 27.9281 176.4726 32 T 3.5003 8.0355 117.8012 66.0537 67.7815 176.4566 33 L 3.9246 7.8854 121.6533 58.3041 42.3684 177.9500 34 N 4.2554 8.3003 117.1449 57.1366 38.3945 176.9301 35 S 4.0703 7.9368 116.1048 60.2812 63.9918 174.5008 36 W 5.4563 7.6828 122.9371 53.0675 25.8289 175.3999 37 L 5.0586 7.6219 133.0857 56.8835 43.9503 174.5067 38 H 4.7488 7.9914 112.6138 56.0171 29.7019 176.7809 39 S 4.0731 8.5435 114.0620 58.9542 61.9450 177.4126 40 G 3.3972 8.7927 100.0275 45.2154 0.0000 174.0309 41 H 4.1518 8.6935 125.2186 56.2788 28.9450 175.3483 42 R 3.9957 8.5088 124.1626 55.6207 30.4965 176.3792 43 E 4.0128 8.9515 123.4274 56.1894 28.8123 175.8191 44 R 3.7489 8.1237 121.5617 54.9867 29.8256 174.6783 45 P 4.5965 0.0000 0.0000 61.3461 32.6461 175.7295 46 A 4.1960 8.4612 122.3401 52.4124 18.8044 177.3010 47 F 4.4385 8.9574 123.9684 57.9699 40.0453 174.7767 48 I 3.8797 7.3781 128.0635 58.6184 40.1970 174.5771 49 P 4.0877 0.0000 0.0000 61.3167 30.5950 176.2903 50 Y 4.2860 6.9940 115.4903 60.1116 38.6721 178.0534 51 H 4.5602 9.0707 120.0045 57.3022 29.3170 175.5881 52 H 4.7450 8.2420 113.6194 55.3159 29.0299 174.3433 53 L 4.7235 7.0714 118.0170 53.3194 45.1807 175.7939 54 R 3.8431 8.5674 116.0193 57.4683 27.5060 177.3396 55 I 3.8742 7.5065 116.6362 61.5046 38.0934 177.2931 56 R 4.2284 8.2106 122.9683 55.1764 31.6717 174.6568 57 T 4.3771 7.9353 112.1478 61.2613 70.3273 174.8692 58 K 4.2893 7.1975 120.7809 54.5081 35.0084 173.0192 59 P 4.2100 0.0000 0.0000 62.2807 32.1030 176.4776 60 F 3.9171 8.0286 120.7124 57.7479 39.1705 175.6856 61 S 4.4315 7.7851 118.6350 58.2056 63.0016 173.9710 62 W 5.3004 6.6817 116.6847 55.4528 31.8743 175.5498 63 G 3.7482 8.6040 107.0925 47.2907 0.0000 174.2836 64 D 4.5980 8.8812 125.3067 53.0263 39.8095 177.8628 65 G 4.3247 8.5105 109.0523 45.7825 0.0000 174.3110 66 N 5.0845 8.7971 115.9705 53.1027 40.0281 173.2335 67 H 4.8953 7.9962 113.5550 54.3465 31.7931 173.8854 68 T 3.6288 8.1940 113.2553 60.9021 69.6782 175.2982 69 F 3.3050 8.6230 124.1075 60.3486 39.5264 175.9874 70 F 4.9773 7.3931 118.2322 56.2833 39.2392 175.6223 71 H 3.9202 7.8994 120.0801 56.9065 30.1762 173.4727 72 N 4.7824 8.4906 125.3732 51.0959 39.2840 172.9238 73 P 4.2766 0.0000 0.0000 65.6135 31.7660 178.1196 74 R 4.0099 8.2122 117.8131 58.6606 29.9538 177.3864 75 V 4.4443 7.7401 106.7619 60.6924 33.5513 174.9338 76 N 4.8729 8.3865 118.2614 50.5070 38.8081 172.8400 77 P 4.1640 0.0000 0.0000 61.9097 32.3316 176.3575 78 L 4.2957 7.8729 119.9813 53.4029 42.3917 176.4236 79 P 4.3247 0.0000 0.0000 65.8907 31.1482 177.7950 80 T 4.1332 7.8366 105.3612 61.1224 69.7108 173.0231 81 G 2.0000 6.9292 108.2176 43.0617 0.0000 172.8366 82 Y 4.3419 7.5983 116.8675 57.7873 38.3608 176.3349 83 E 4.2102 8.6138 122.6834 55.7277 30.4708 177.2700 84 K 4.0441 8.7389 120.2148 57.1819 32.0898 176.8084 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 4.35 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 2 S 8.43 4.21 0.00 3.85 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 3 A 8.17 3.88 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 4 A 7.18 4.65 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.97 4.53 0.00 1.61 0.95 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.31 7.81 6 G 8.63 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 0.00 0.00 0.00 0.00 7 D 7.02 3.37 0.00 2.59 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 0.00 0.00 0.00 0.00 8 H 8.56 4.05 0.00 3.23 3.33 0.00 5.96 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 8.28 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 10 G 7.20 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 *12 G 8.45 3.84 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 0.00 0.00 0.00 13 A 8.41 4.19 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 14 R 8.08 3.90 0.00 1.94 2.00 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 1.75 1.76 0.00 15 T 7.91 3.89 4.28 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 0.78 0.00 0.00 16 W 8.02 4.04 0.00 3.50 3.30 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 17 R 8.57 3.92 0.00 2.09 2.25 0.00 3.23 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 18 F 8.48 4.34 0.00 3.29 3.06 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 19 L 8.28 3.93 0.00 1.78 1.59 -0.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.12 3.77 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 0.66 0.00 0.00 21 F 8.09 4.95 0.00 3.10 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 22 G 8.56 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 23 L 7.63 4.52 0.00 1.63 1.78 0.89 1.14 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 8.41 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 8.45 3.98 0.00 1.81 1.80 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.28 0.00 2.18 2.13 0.00 3.78 0.00 0.00 3.91 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 8.07 4.10 0.00 4.06 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 7.75 3.51 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 1.06 0.00 0.00 0.99 0.00 0.00 29 A 8.15 3.97 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 30 L 8.28 3.90 0.00 1.81 1.71 0.92 0.80 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 8.31 4.07 0.00 2.86 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 8.04 3.50 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 1.17 0.00 0.00 33 L 7.89 3.92 0.00 1.86 1.77 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.30 4.26 0.00 2.68 2.85 0.00 0.00 7.35 7.21 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 35 S 7.94 4.07 0.00 3.21 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 7.68 5.46 0.00 3.23 2.92 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 0.00 37 L 7.62 5.06 0.00 1.79 1.94 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.99 4.75 0.00 3.13 3.34 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.54 4.07 0.00 4.19 4.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 3.40 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 0.00 41 H 8.69 4.15 0.00 3.15 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.76 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 4.00 0.00 1.84 1.90 0.00 3.25 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 1.67 1.66 0.00 43 E 8.95 4.01 0.00 1.94 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 2.25 0.00 44 R 8.12 3.75 0.00 1.95 1.85 0.00 2.21 0.00 0.00 2.97 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 45 P 0.00 4.60 0.00 2.31 2.17 0.00 3.98 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 2.14 2.06 0.00 46 A 8.46 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.44 0.00 2.98 3.06 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 48 I 7.38 3.88 1.19 0.00 0.00 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 1.20 0.61 -0.28 0.00 0.00 49 P 0.00 4.09 0.00 2.05 2.10 0.00 3.35 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 50 Y 6.99 4.29 0.00 2.97 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 51 H 9.07 4.56 0.00 3.22 3.40 0.00 5.69 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 52 H 8.24 4.75 0.00 3.26 3.38 0.00 5.46 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 7.07 4.72 0.00 1.66 1.59 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.57 3.84 0.00 1.96 2.01 0.00 3.34 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 1.81 1.76 0.00 55 I 7.51 3.87 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 8.21 4.23 0.00 1.65 1.69 0.00 3.15 0.00 0.00 3.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.49 0.00 57 T 7.94 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 1.17 0.00 0.00 58 K 7.20 4.29 0.00 1.58 1.50 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.34 7.81 59 P 0.00 4.21 0.00 1.95 1.84 0.00 3.61 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 1.94 1.99 0.00 60 F 8.03 3.92 0.00 2.31 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 7.79 4.43 0.00 4.14 4.01 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 62 W 6.68 5.30 0.00 3.38 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 63 G 8.60 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 64 D 8.88 4.60 0.00 2.80 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 65 G 8.51 4.32 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 0.00 66 N 8.80 5.08 0.00 2.60 2.89 0.00 0.00 6.93 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 67 H 8.00 4.90 0.00 3.13 3.16 0.00 5.95 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 68 T 8.19 3.63 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 1.30 0.00 0.00 69 F 8.62 3.31 0.00 2.40 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 0.00 0.00 0.00 70 F 7.39 4.98 0.00 3.12 3.04 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 71 H 7.90 3.92 0.00 3.33 3.32 0.00 5.91 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.49 4.78 0.00 2.76 2.68 0.00 0.00 7.18 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 4.28 0.00 2.12 2.39 0.00 3.75 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 2.08 2.21 0.00 74 R 8.21 4.01 0.00 2.01 1.92 0.00 3.28 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 75 V 7.74 4.44 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 0.82 0.00 0.00 0.97 0.00 0.00 76 N 8.39 4.87 0.00 2.62 2.82 0.00 0.00 6.98 7.95 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 77 P 0.00 4.16 0.00 1.48 0.55 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.70 0.00 78 L 7.87 4.30 0.00 1.72 1.54 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.32 0.00 2.03 2.15 0.00 3.63 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 2.02 2.26 0.00 80 T 7.84 4.13 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 1.20 0.00 0.00 81 G 6.93 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 7.60 4.34 0.00 2.93 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 83 E 8.61 4.21 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 2.36 0.00 84 K 8.74 4.04 0.00 1.73 1.76 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 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.