NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3109 8.2644 123.5805 52.4496 19.7849 175.9711 2 S 4.2620 8.1676 110.0439 56.6901 64.5895 172.7117 3 A 3.5866 8.6209 126.9483 51.3968 16.3149 178.4240 4 A 5.7010 7.8318 133.2038 51.7600 21.9655 178.3554 5 K 4.5150 6.8291 116.7024 56.4112 31.7048 176.1486 6 G 3.7576 8.9097 118.8489 47.6875 0.0000 176.8987 7 D 3.3700 8.3979 114.9214 51.8929 43.6325 174.6205 8 H 3.9372 9.2470 117.6025 56.9258 28.2056 176.3788 9 G 3.5042 8.6582 107.5063 46.0908 0.0000 173.9094 10 G 3.7099 6.8456 105.8583 45.7591 0.0000 170.4878 *12 G 3.8616 7.5910 106.6975 45.3175 0.0000 172.7954 13 A 4.1229 8.6862 119.3640 55.4342 18.2640 179.9748 14 R 3.9500 8.0611 116.6471 59.8684 30.1573 178.7985 15 T 3.9613 7.8890 115.1420 66.4917 68.5961 176.7149 16 W 4.0242 8.2941 120.7464 59.3232 29.0256 178.6714 17 R 3.9372 8.3429 119.2161 59.0333 29.4400 178.1192 18 F 4.2492 8.2916 120.6148 61.5577 39.3184 177.2164 19 L 3.9640 8.2160 118.5948 57.8135 41.2717 179.6735 20 T 3.7776 7.9599 115.7872 66.7002 68.2158 176.4929 21 F 4.9075 8.0809 117.5024 59.1397 39.3203 177.5582 22 G 4.1296 8.5662 104.0827 45.0435 0.0000 173.4219 23 L 4.5174 7.6808 119.7221 56.2747 44.2030 177.8415 24 A 3.9781 8.2778 120.3367 55.3780 18.2464 179.5804 25 L 3.9948 8.4782 117.2889 57.4546 41.7795 178.1630 26 P 4.2758 0.0000 0.0000 65.5726 31.2871 178.8214 27 S 4.1281 8.0701 114.0927 61.6013 62.7272 176.9095 28 V 3.5650 7.8543 120.7248 65.7839 31.2887 177.9921 29 A 4.0006 8.2090 120.9436 54.9161 18.2001 179.6971 30 L 3.8899 8.0215 117.5036 58.3078 41.7144 179.6195 31 C 4.3158 8.1204 116.4176 62.8877 27.9524 176.3126 32 T 3.4876 7.8030 117.6474 65.8411 67.7229 176.7761 33 L 3.9139 7.4142 121.6169 58.0853 42.5272 177.9429 34 N 4.2964 8.4290 117.3157 56.9420 38.6215 176.9117 35 S 4.0333 7.7789 114.9077 60.9180 63.8354 176.2454 36 W 5.2839 7.8183 121.0110 55.4894 27.5887 175.5765 37 L 4.7800 7.4565 121.9800 57.1890 48.5788 176.1122 38 H 4.8142 8.1905 112.4892 56.2108 29.9268 176.9114 39 S 4.6811 7.3933 118.1069 56.2377 62.0346 173.9494 40 G 3.8100 9.2272 115.4839 44.5042 0.0000 172.5439 41 H 4.2600 8.7409 122.0709 56.0077 28.9962 175.3886 42 R 4.1293 8.4579 121.6758 55.0459 30.3231 175.7664 43 E 3.8841 8.7728 121.9849 56.1281 29.7073 176.7281 44 R 4.0247 8.5323 123.5873 55.6141 29.8344 174.9065 45 P 4.4535 0.0000 0.0000 62.0881 32.1181 175.9367 46 A 4.1947 8.4157 122.4719 52.4048 18.8774 177.1504 47 F 4.6122 8.8845 123.7499 57.7226 40.2454 175.0174 48 I 3.9362 7.2429 127.7402 58.5826 40.3611 174.9245 49 P 4.1592 0.0000 0.0000 61.9898 29.5473 176.3573 50 Y 4.2544 7.0385 117.4614 59.3631 38.8364 177.8643 51 H 4.4597 9.0109 120.4005 57.8325 29.2157 175.7461 52 H 4.7182 8.2850 113.3204 55.3389 28.9359 174.0975 53 L 4.7464 7.0821 118.1167 53.0999 45.0064 175.5804 54 R 3.8306 8.6299 115.3957 57.0942 27.6406 177.3716 55 I 3.8104 7.6906 116.4819 61.9270 37.8022 177.3565 56 R 4.2924 8.1442 123.1307 55.1777 31.3886 174.4612 57 T 4.3296 7.9007 111.8524 61.5428 70.2899 175.3807 58 K 4.3338 7.1632 121.3171 54.2740 35.0330 173.1061 59 P 4.2083 0.0000 0.0000 62.2440 32.2408 176.2622 60 F 3.8542 7.8125 119.2757 57.7674 39.1203 175.9579 61 S 4.4608 7.9766 118.9106 58.3194 62.7651 173.8317 62 W 5.3179 7.4422 116.8052 55.3248 32.0142 176.4018 63 G 3.7086 8.4623 108.4919 47.4331 0.0000 173.9685 64 D 4.6026 8.9381 124.2974 52.6556 39.6894 177.6170 65 G 3.8012 8.3865 108.0644 46.1279 0.0000 174.4065 66 N 4.9471 8.7759 116.2553 53.1751 40.1741 173.4551 67 H 4.8739 8.0901 114.4334 54.5082 30.9578 174.4882 68 T 3.5766 8.2698 113.6447 60.9069 69.6149 174.9412 69 F 3.1552 8.8869 124.3708 60.6519 39.3686 176.3551 70 F 4.8795 7.6064 117.1237 56.4026 39.3227 175.5596 71 H 4.1462 7.8688 120.0906 56.6423 30.4711 173.5482 72 N 4.8391 9.2112 125.5746 51.0263 39.8597 172.7053 73 P 4.3699 0.0000 0.0000 65.7462 31.6964 178.0906 74 R 4.0494 8.0032 117.2095 58.6175 29.9943 177.3256 75 V 4.4855 7.7724 107.0196 60.5861 33.6730 174.8521 76 N 4.8293 8.5926 118.1411 50.5583 38.8342 172.8393 77 P 4.0617 0.0000 0.0000 61.8939 32.3330 176.2791 78 L 4.3597 7.8771 120.4197 53.0674 42.6693 176.2920 79 P 4.2876 0.0000 0.0000 65.5665 31.1273 177.6373 80 T 4.2668 7.7239 105.6334 60.6431 69.5056 172.9655 81 G 2.0913 7.1694 108.6953 43.1568 0.0000 173.1484 82 Y 4.2611 7.5915 116.5937 57.9247 38.2826 176.3971 83 E 4.4023 8.4661 121.5160 55.1420 30.8854 177.1393 84 K 4.1227 8.5263 118.4779 57.0969 32.0562 177.2201 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 4.31 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 8.17 4.26 0.00 3.82 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 3 A 8.62 3.59 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 4 A 7.83 5.70 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 6.83 4.52 0.00 1.59 1.02 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.29 7.81 6 G 8.91 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 7 D 8.40 3.37 0.00 2.63 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 8 H 9.25 3.94 0.00 3.49 3.34 0.00 5.87 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 9 G 8.66 3.50 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 0.00 0.00 0.00 10 G 6.85 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 7.59 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 0.00 0.00 0.00 13 A 8.69 4.12 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 8.06 3.95 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.38 7.57 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 7.89 3.96 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 0.80 0.00 0.00 16 W 8.29 4.02 0.00 3.45 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 17 R 8.34 3.94 0.00 2.06 2.18 0.00 3.22 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 18 F 8.29 4.25 0.00 3.31 3.08 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 0.00 0.00 0.00 0.00 19 L 8.22 3.96 0.00 1.77 1.61 -0.08 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.96 3.78 3.91 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 0.71 0.00 0.00 21 F 8.08 4.91 0.00 3.11 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 8.57 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 7.68 4.52 0.00 1.65 1.76 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.28 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 3.99 0.00 1.81 1.83 1.12 1.00 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 26 P 0.00 4.28 0.00 2.19 2.13 0.00 3.71 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 2.27 2.24 0.00 27 S 8.07 4.13 0.00 4.08 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 7.85 3.56 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 0.97 0.00 0.00 0.98 0.00 0.00 29 A 8.21 4.00 1.41 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 0.00 0.00 30 L 8.02 3.89 0.00 1.86 1.70 0.92 0.74 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 31 C 8.12 4.32 0.00 2.88 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 3.49 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 1.00 0.00 0.00 33 L 7.41 3.91 0.00 1.87 1.84 0.93 1.02 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 8.43 4.30 0.00 2.66 2.83 0.00 0.00 7.33 7.90 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 35 S 7.78 4.03 0.00 3.40 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 36 W 7.82 5.28 0.00 3.29 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 37 L 7.46 4.78 0.00 1.97 1.83 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.19 4.81 0.00 3.21 3.36 0.00 5.91 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 39 S 7.39 4.68 0.00 4.20 3.34 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 40 G 9.23 3.81 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 0.00 0.00 0.00 41 H 8.74 4.26 0.00 3.14 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.46 4.13 0.00 1.93 1.96 0.00 3.14 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 43 E 8.77 3.88 0.00 1.95 1.95 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 2.28 2.25 0.00 44 R 8.53 4.02 0.00 1.98 1.88 0.00 2.30 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 45 P 0.00 4.45 0.00 2.32 2.18 0.00 3.92 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 2.20 2.09 0.00 46 A 8.42 4.19 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 8.88 4.61 0.00 3.16 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 7.24 3.94 1.21 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 -0.22 0.00 0.00 49 P 0.00 4.16 0.00 1.96 2.01 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 50 Y 7.04 4.25 0.00 2.93 2.74 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 51 H 9.01 4.46 0.00 3.23 3.41 0.00 5.69 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 52 H 8.28 4.72 0.00 3.27 3.40 0.00 5.46 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.08 4.75 0.00 1.65 1.61 0.93 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 8.63 3.83 0.00 1.94 2.01 0.00 3.34 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 55 I 7.69 3.81 1.90 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 1.45 0.77 0.89 0.00 0.00 56 R 8.14 4.29 0.00 1.66 1.68 0.00 3.16 0.00 0.00 3.01 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 57 T 7.90 4.33 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 7.16 4.33 0.00 1.59 1.52 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.30 7.81 59 P 0.00 4.21 0.00 2.07 1.90 0.00 3.70 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 1.87 1.89 0.00 60 F 7.81 3.85 0.00 2.38 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 7.98 4.46 0.00 4.10 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 62 W 7.44 5.32 0.00 3.46 3.34 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 63 G 8.46 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 64 D 8.94 4.60 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 8.39 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 66 N 8.78 4.95 0.00 2.60 2.85 0.00 0.00 6.98 8.32 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 67 H 8.09 4.87 0.00 3.15 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.27 3.58 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 1.32 0.00 0.00 69 F 8.89 3.16 0.00 2.44 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 70 F 7.61 4.88 0.00 3.11 2.98 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 71 H 7.87 4.15 0.00 3.26 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.21 4.84 0.00 2.71 2.78 0.00 0.00 6.80 7.30 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 73 P 0.00 4.37 0.00 2.11 2.18 0.00 3.74 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 2.07 2.19 0.00 74 R 8.00 4.05 0.00 1.82 1.94 0.00 3.31 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 75 V 7.77 4.49 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 0.83 0.00 0.00 0.97 0.00 0.00 76 N 8.59 4.83 0.00 2.58 2.79 0.00 0.00 6.99 7.99 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 77 P 0.00 4.06 0.00 1.36 0.49 0.00 3.68 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 78 L 7.88 4.36 0.00 1.70 1.55 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.29 0.00 2.04 2.15 0.00 3.62 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 2.15 2.11 0.00 80 T 7.72 4.27 4.21 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 1.21 0.00 0.00 81 G 7.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.59 4.26 0.00 2.92 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 83 E 8.47 4.40 0.00 2.03 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 2.31 2.37 0.00 84 K 8.53 4.12 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.