NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6715 8.3644 120.4557 53.9219 43.7710 174.9226 4 T 4.5563 8.6911 113.7382 58.2446 69.4322 170.9103 5 K 4.9785 8.9139 128.1463 55.2598 35.5912 173.9984 6 I 4.6975 8.2194 125.7040 58.9766 40.3610 173.7361 7 I 4.8854 8.2607 129.9021 59.3881 40.2503 173.7507 8 Y 5.1280 8.1213 126.0942 55.6493 41.7934 173.5781 9 H 5.0244 8.6945 118.0209 54.4848 31.6328 173.4816 10 M 4.7115 8.3072 120.7969 53.8405 33.5261 175.4610 11 D 4.4173 8.3840 122.2316 57.3048 41.4518 177.5666 12 E 4.3478 7.8951 119.2639 54.1474 28.0947 174.4359 13 E 4.5536 7.5603 119.7447 54.2580 32.5725 173.6623 14 E 3.9641 8.6976 129.8853 57.3861 30.3206 176.0820 15 T 4.6134 7.1678 110.3971 58.6563 71.6855 172.4116 16 P 4.1273 0.0000 0.0000 63.2669 32.2900 175.2920 17 D 4.6459 7.9125 121.1628 52.7878 42.9525 175.4283 18 L 5.1702 8.1107 122.4727 53.5575 45.4373 175.5236 19 V 4.6242 8.3429 121.9628 61.4933 35.6403 173.2170 20 K 5.0591 8.6405 124.6254 54.6103 34.9131 175.2980 21 L 4.8198 8.9030 125.3049 52.3928 43.8986 176.0161 22 P 4.4977 0.0000 0.0000 64.0590 31.6378 176.8623 23 V 3.8438 7.5289 117.7440 62.2476 33.0751 176.8887 24 A 3.4615 8.3551 124.7356 52.7323 17.0343 176.9972 25 P 4.3653 0.0000 0.0000 67.0863 31.7832 179.0297 26 E 4.0342 8.3466 113.6545 58.1544 29.5426 180.6174 27 R 4.6213 7.6275 112.6401 55.7951 30.0372 175.7610 28 V 4.0139 7.4032 118.9897 63.5878 32.7633 174.5060 29 T 4.7397 7.9993 114.7234 62.0375 72.9812 174.0410 30 L 3.9180 8.4501 126.0047 58.5431 41.7745 179.4141 31 A 4.0166 7.9293 119.9936 55.2092 18.4333 178.8363 32 D 4.3477 8.1405 116.5739 57.7425 40.6932 179.3276 33 F 4.6006 7.9491 119.1606 60.7902 39.8414 176.3906 34 K 3.6546 8.5140 120.7807 59.5091 31.9514 178.1985 35 N 4.9414 8.6627 113.6872 53.1464 36.7103 175.5850 36 V 4.5023 7.9674 114.8809 61.9135 32.9483 175.4543 37 L 4.6990 7.6117 121.1346 54.8747 41.8336 178.7072 38 S 4.0421 8.0448 113.4410 61.9837 63.1753 175.5366 39 N 4.4246 8.1616 119.5804 54.1924 37.2752 175.2154 40 R 4.6053 7.6805 117.1868 53.7146 32.0416 175.1238 41 P 4.5158 0.0000 0.0000 63.0219 31.5463 175.9650 *43 H 4.7093 8.6646 111.5107 56.3177 30.0914 174.4439 44 A 4.2818 7.7767 120.0946 52.4787 17.9554 176.2134 45 Y 5.1344 7.7382 113.9746 56.6665 41.8413 174.8400 46 K 4.8911 10.5705 124.0411 54.8385 35.1240 174.8812 47 F 4.9653 8.9386 125.1977 56.0724 41.5272 174.1697 48 F 5.4261 8.9359 122.6044 56.0727 42.0047 175.3628 49 F 5.4063 9.0280 119.3110 55.5295 42.9814 174.2731 50 K 4.8861 9.5305 126.5134 57.4786 32.8232 175.7565 51 S 4.9568 9.4091 120.3305 57.9971 67.1979 172.1524 52 M 5.1430 8.6624 120.0289 54.0731 33.5429 174.2245 53 D 4.9306 9.0751 126.4671 52.8069 42.6938 177.3799 54 Q 4.0718 9.1324 124.5951 58.3364 28.8932 176.9283 55 D 4.8265 9.2704 114.1041 52.4910 40.6119 176.0612 56 F 4.4997 8.5954 116.5677 56.2271 41.4299 177.6180 57 G 3.8150 8.5098 110.1733 45.6466 0.0000 173.5229 58 V 4.3458 8.5064 123.2358 63.7820 32.0683 176.4675 59 V 4.5417 8.9221 119.2456 60.2552 36.8494 173.3567 60 K 4.6368 8.4902 122.4339 55.4006 33.0576 176.2751 61 E 4.5297 9.1804 128.3389 54.1633 30.1268 174.5323 62 E 3.9566 8.8706 127.5490 56.8656 30.2601 175.9834 63 I 4.3031 8.3454 125.2977 59.7955 41.1312 175.2001 64 F 4.7601 8.0276 116.3639 56.1261 40.3101 173.7210 65 D 4.6807 8.0587 122.6318 53.4938 41.3753 175.7984 66 D 4.6034 8.6797 125.1376 54.9948 40.4589 176.3550 67 N 4.9093 7.8848 113.0071 52.5328 40.5975 173.7811 68 A 4.3437 7.8627 122.8521 50.6525 19.6547 177.9579 69 K 4.4120 8.3702 121.5458 56.0017 32.8291 175.9395 70 L 4.3370 7.9926 120.5158 52.2220 43.0718 175.1702 71 P 4.3346 0.0000 0.0000 62.9737 31.7646 176.2061 72 C 4.8923 8.2439 119.7146 56.2936 28.7105 172.3079 73 F 3.8969 8.7612 126.2351 59.1705 39.7508 175.0113 74 N 3.9246 9.1798 127.6981 54.3837 35.6736 175.4858 75 G 3.9731 8.0470 102.5965 45.7157 0.0000 172.7206 76 R 4.5814 7.8175 119.6975 54.1883 33.1254 174.0092 77 V 4.5205 7.7987 123.6049 61.8920 32.9232 174.6356 78 V 4.7449 8.5228 127.9069 61.1544 34.1521 174.1020 79 S 4.9803 8.5821 121.2023 56.3133 66.5104 172.2924 80 W 5.1406 9.2540 123.7998 54.7972 32.8948 174.5660 81 L 4.7968 8.8912 123.4476 53.1681 43.4486 176.0778 82 V 5.0145 8.8825 116.6431 59.3735 36.7653 176.2178 83 L 4.4267 8.4416 120.4800 56.0889 40.4517 176.3744 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 4.67 0.00 2.84 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 4 T 8.69 4.56 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 1.30 0.00 0.00 5 K 8.91 4.98 0.00 1.81 1.89 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.38 7.81 6 I 8.22 4.70 1.72 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.16 0.66 0.00 0.00 7 I 8.26 4.89 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.06 0.87 0.00 0.00 8 Y 8.12 5.13 0.00 3.04 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 9 H 8.69 5.02 0.00 3.01 3.16 0.00 5.79 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 10 M 8.31 4.71 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 11 D 8.38 4.42 0.00 2.85 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 12 E 7.90 4.35 0.00 2.01 1.92 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 2.30 2.31 0.00 13 E 7.56 4.55 0.00 1.88 1.77 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 2.11 2.45 0.00 14 E 8.70 3.96 0.00 1.91 1.82 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 2.29 2.23 0.00 15 T 7.17 4.61 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 1.17 0.00 0.00 16 P 0.00 4.13 0.00 1.70 1.58 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 17 D 7.91 4.65 0.00 1.58 1.96 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 18 L 8.11 5.17 0.00 1.50 1.43 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.34 4.62 2.11 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 0.90 0.00 0.00 1.12 0.00 0.00 20 K 8.64 5.06 0.00 1.63 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.41 7.81 21 L 8.90 4.82 0.00 1.53 1.56 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.50 0.00 2.04 2.10 0.00 3.69 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 2.03 2.07 0.00 23 V 7.53 3.84 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 0.81 0.00 0.00 0.94 0.00 0.00 24 A 8.36 3.46 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 25 P 0.00 4.37 0.00 2.19 2.11 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 26 E 8.35 4.03 0.00 1.98 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 2.24 1.89 0.00 27 R 7.63 4.62 0.00 1.85 1.97 0.00 3.00 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 28 V 7.40 4.01 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 1.10 0.00 0.00 0.97 0.00 0.00 29 T 8.00 4.74 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 1.21 0.00 0.00 30 L 8.45 3.92 0.00 1.59 1.59 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.93 4.02 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 32 D 8.14 4.35 0.00 2.89 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 33 F 7.95 4.60 0.00 2.96 3.21 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 34 K 8.51 3.65 0.00 1.80 1.67 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.24 0.91 7.81 35 N 8.66 4.94 0.00 2.83 2.88 0.00 0.00 6.85 8.31 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 36 V 7.97 4.50 2.19 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 1.02 0.00 0.00 0.99 0.00 0.00 37 L 7.61 4.70 0.00 1.67 1.70 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.04 4.04 0.00 4.00 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 39 N 8.16 4.42 0.00 2.89 3.05 0.00 0.00 5.96 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 40 R 7.68 4.61 0.00 2.00 2.00 0.00 3.17 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 41 P 0.00 4.52 0.00 2.26 2.03 0.00 3.88 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 2.18 2.16 0.00 *43 H 8.66 4.71 0.00 3.35 3.60 0.00 5.45 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 44 A 7.78 4.28 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.74 5.13 0.00 3.10 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 46 K 10.57 4.89 0.00 2.00 1.94 0.00 1.77 0.00 0.00 2.03 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.11 1.47 7.81 47 F 8.94 4.97 0.00 3.23 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 48 F 8.94 5.43 0.00 3.09 3.07 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 49 F 9.03 5.41 0.00 3.08 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 50 K 9.53 4.89 0.00 2.26 1.95 0.00 1.74 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.54 1.45 7.81 51 S 9.41 4.96 0.00 4.02 4.09 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 52 M 8.66 5.14 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 53 D 9.08 4.93 0.00 2.90 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 54 Q 9.13 4.07 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 55 D 9.27 4.83 0.00 2.50 2.68 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 0.00 0.00 0.00 0.00 56 F 8.60 4.50 0.00 3.06 3.17 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 57 G 8.51 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 58 V 8.51 4.35 2.14 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 0.75 0.00 0.00 1.14 0.00 0.00 59 V 8.92 4.54 2.11 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 0.71 0.00 0.00 1.08 0.00 0.00 60 K 8.49 4.64 0.00 1.45 1.72 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.46 0.93 7.81 61 E 9.18 4.53 0.00 2.16 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 0.00 2.26 2.25 0.00 62 E 8.87 3.96 0.00 1.43 1.64 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 1.80 1.64 0.00 63 I 8.35 4.30 1.81 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.82 0.71 0.00 0.00 64 F 8.03 4.76 0.00 2.95 3.09 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 65 D 8.06 4.68 0.00 2.83 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 66 D 8.68 4.60 0.00 2.65 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 N 7.88 4.91 0.00 2.61 2.74 0.00 0.00 7.01 7.35 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 68 A 7.86 4.34 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 69 K 8.37 4.41 0.00 1.69 1.76 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.49 7.81 70 L 7.99 4.34 0.00 1.57 1.48 1.05 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.33 0.00 2.34 2.08 0.00 3.39 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 72 C 8.24 4.89 0.00 2.94 2.89 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 73 F 8.76 3.90 0.00 3.41 3.03 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 74 N 9.18 3.92 0.00 2.88 2.82 0.00 0.00 7.18 7.65 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 75 G 8.05 3.97 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 0.00 0.00 0.00 76 R 7.82 4.58 0.00 1.83 1.79 0.00 3.25 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 77 V 7.80 4.52 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 1.02 0.00 0.00 1.02 0.00 0.00 78 V 8.52 4.74 2.04 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 0.54 0.00 0.00 0.92 0.00 0.00 79 S 8.58 4.98 0.00 3.34 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.25 5.14 0.00 3.31 2.90 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 81 L 8.89 4.80 0.00 1.48 0.90 0.60 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.88 5.01 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 0.90 0.00 0.00 1.23 0.00 0.00 83 L 8.44 4.43 0.00 1.51 1.18 0.86 0.63 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 * Residues marked with a * may have inaccurate shift predictions.