NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3230 8.2644 123.5807 52.4805 19.7872 176.0326 2 S 4.2732 8.1487 109.5039 56.8267 65.2066 172.5783 3 A 3.6501 8.7980 127.1352 51.4667 15.8944 178.4775 4 A 5.7271 7.8822 133.1912 51.8063 22.0933 178.1867 5 K 4.4917 6.7610 116.9655 56.5231 31.8140 176.1597 6 G 3.6974 8.8501 120.8401 46.8252 0.0000 177.3936 7 D 3.4028 8.5966 115.0945 52.2523 43.3431 174.7568 8 H 3.9485 9.2595 120.2266 57.1441 28.5303 176.8232 9 G 3.4390 8.7060 107.4693 47.7901 0.0000 173.5173 10 G 3.7572 7.0651 105.0673 45.7612 0.0000 171.0818 *12 G 3.8518 7.7596 107.1464 45.3355 0.0000 172.8801 13 A 4.1273 8.6185 119.3289 55.3165 18.2833 179.9458 14 R 3.9356 8.0445 116.7387 59.8623 30.2093 178.7843 15 T 3.9345 7.8894 115.0797 66.5403 68.5728 176.6764 16 W 4.0291 8.1843 120.6398 59.3394 29.0095 178.6476 17 R 3.9303 8.3048 119.1901 59.0060 29.4457 178.1182 18 F 4.3142 8.3872 120.6040 61.5231 39.3232 177.1849 19 L 3.9234 8.1180 118.5599 57.8629 41.3476 179.6239 20 T 3.7841 7.8904 115.6820 66.8289 68.2242 176.6452 21 F 5.0391 8.0497 117.7754 59.5899 39.1906 177.6011 22 G 4.0875 8.6054 104.3790 45.3601 0.0000 173.4725 23 L 4.5027 7.6811 119.5944 56.2509 44.1231 177.7287 24 A 3.9784 8.1450 120.2850 55.4784 18.2417 179.5862 25 L 4.0139 8.7024 116.9448 57.3873 41.7119 178.2074 26 P 4.2952 0.0000 0.0000 65.5535 31.3116 178.8049 27 S 4.1003 8.1421 114.2446 61.5840 62.7274 176.9128 28 V 3.5748 7.8650 120.7366 65.7074 31.2264 178.0398 29 A 3.9815 8.1512 120.8023 55.0071 18.1557 179.6056 30 L 3.9062 8.0963 117.6420 58.3222 41.7471 179.6898 31 C 4.0656 8.1275 116.4622 62.9423 27.9490 176.3507 32 T 3.5295 7.8563 117.6293 66.0087 67.7036 176.5970 33 L 3.9242 7.5402 121.6969 58.2356 42.6247 177.9973 34 N 4.2763 8.3253 117.2135 56.8885 38.8414 177.0626 35 S 4.0172 7.9963 116.3095 60.8452 63.4328 175.6186 36 W 5.3501 7.8574 120.8326 55.9325 28.0831 176.0471 37 L 4.7716 7.5439 120.1433 57.2433 47.3008 175.9526 38 H 4.8149 8.1241 112.2023 56.4369 29.9748 177.3067 39 S 4.6917 7.3642 116.5434 55.9305 62.0985 174.0536 40 G 3.7636 9.1107 117.5950 44.5696 0.0000 172.5069 41 H 4.1280 8.7761 121.7874 56.5806 29.1094 175.1091 42 R 4.2784 8.4542 123.5293 54.6583 31.0415 175.7365 43 E 3.8711 8.8726 123.1515 56.2262 29.7282 176.8283 44 R 4.0591 8.4960 123.5420 55.4399 29.9732 174.9020 45 P 4.4548 0.0000 0.0000 62.0698 32.1282 175.9266 46 A 4.1929 8.4399 122.3347 52.5072 18.8431 177.0825 47 F 4.6439 8.8780 123.3263 57.6060 40.2656 175.0992 48 I 3.9460 7.2539 127.5218 58.7602 40.3303 175.0054 49 P 4.1555 0.0000 0.0000 61.8145 29.5701 176.4757 50 Y 4.2555 7.0660 117.3596 58.6752 38.8547 177.9563 51 H 4.4779 8.9886 120.2847 57.8733 29.2222 175.7949 52 H 4.7060 8.3220 113.2045 55.3989 28.9669 174.1632 53 L 4.7439 7.0799 118.0707 53.1102 44.8641 175.4977 54 R 3.8483 8.6409 115.1836 56.9641 27.6882 177.3107 55 I 3.7724 7.7767 116.5076 61.9585 37.7004 177.1375 56 R 4.2701 8.1780 123.1873 55.1759 31.4753 174.4698 57 T 4.3299 7.9398 112.1953 61.5920 70.2721 175.2681 58 K 4.3405 7.1926 121.1712 54.2668 35.0060 173.0905 59 P 4.2180 0.0000 0.0000 62.2658 32.1954 176.2442 60 F 3.9176 7.8838 119.3816 57.6514 39.1055 176.4086 61 S 4.5221 8.1329 119.2139 58.1206 62.6090 173.8182 62 W 5.1830 7.8379 116.5371 55.6544 31.8743 175.6096 63 G 3.6931 8.5153 108.1649 47.4437 0.0000 173.9777 64 D 4.6065 8.9020 124.6488 52.7701 39.7294 177.7697 65 G 3.7844 8.3878 107.9401 46.1637 0.0000 174.4431 66 N 4.9621 8.5517 115.9193 53.1725 40.0754 173.4106 67 H 4.8557 7.9847 114.3613 54.4562 30.9314 174.3466 68 T 3.5096 8.3187 113.9549 60.9199 69.5163 174.0016 69 F 3.3508 8.9298 124.2793 60.6675 39.4139 176.2728 70 F 4.9340 7.5757 117.0026 56.5255 39.2620 175.6334 71 H 4.1719 8.2416 119.9619 56.5441 30.4805 173.4092 72 N 4.8048 9.3644 126.0093 51.0327 39.5208 172.7626 73 P 4.3841 0.0000 0.0000 65.7268 31.6823 178.1741 74 R 4.0683 8.0871 117.1361 58.5189 30.0274 177.3031 75 V 4.4849 7.7587 107.1863 60.5858 33.7043 174.9615 76 N 4.7919 8.4874 118.1788 50.6414 38.2725 172.9139 77 P 4.0785 0.0000 0.0000 61.8911 32.3818 176.4219 78 L 4.3437 7.8812 120.4074 53.1239 42.5963 176.3091 79 P 4.3976 0.0000 0.0000 65.6161 31.1462 177.6305 80 T 4.2653 7.5379 105.6412 60.7783 69.4086 173.0698 81 G 2.0000 7.2950 108.9215 43.4373 0.0000 173.1621 82 Y 4.2997 7.5675 116.2301 57.9136 38.2633 176.4359 83 E 4.3807 8.4687 121.6346 55.2119 30.8201 177.2101 84 K 4.1421 8.4881 118.3547 57.0622 32.0551 177.2766 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 4.32 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 8.15 4.27 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 8.80 3.65 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 4 A 7.88 5.73 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 6.76 4.49 0.00 1.59 0.81 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.29 7.81 6 G 8.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 3.40 0.00 2.64 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 8 H 9.26 3.95 0.00 3.50 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 8.71 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.07 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 7.76 3.85 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 0.00 0.00 0.00 13 A 8.62 4.13 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 8.04 3.94 0.00 1.93 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 1.74 1.75 0.00 15 T 7.89 3.93 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 0.78 0.00 0.00 16 W 8.18 4.03 0.00 3.46 3.27 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 17 R 8.30 3.93 0.00 2.07 2.16 0.00 3.23 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 18 F 8.39 4.31 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.92 0.00 1.76 1.59 -0.13 0.32 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 7.89 3.78 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 21 F 8.05 5.04 0.00 3.12 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 8.61 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 0.00 0.00 0.00 23 L 7.68 4.50 0.00 1.64 1.75 0.90 1.10 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 8.14 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 8.70 4.01 0.00 1.87 1.84 1.14 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.30 0.00 2.19 2.13 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 27 S 8.14 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 7.87 3.57 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 0.98 0.00 0.00 0.99 0.00 0.00 29 A 8.15 3.98 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 8.10 3.91 0.00 1.84 1.70 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.13 4.07 0.00 2.89 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 7.86 3.53 4.31 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 1.07 0.00 0.00 33 L 7.54 3.92 0.00 1.85 1.85 0.94 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 8.33 4.28 0.00 2.69 2.69 0.00 0.00 7.35 7.84 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 35 S 8.00 4.02 0.00 3.49 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 36 W 7.86 5.35 0.00 3.32 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 37 L 7.54 4.77 0.00 1.84 1.85 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.12 4.81 0.00 3.22 3.36 0.00 5.91 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 39 S 7.36 4.69 0.00 4.16 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 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 41 H 8.78 4.13 0.00 3.14 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.45 4.28 0.00 1.84 1.88 0.00 3.27 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 43 E 8.87 3.87 0.00 1.93 1.91 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 2.28 2.26 0.00 44 R 8.50 4.06 0.00 1.99 1.89 0.00 2.45 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 45 P 0.00 4.45 0.00 2.32 2.18 0.00 3.92 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 2.20 2.08 0.00 46 A 8.44 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 4.64 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 7.25 3.95 1.30 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 -0.22 0.00 0.00 49 P 0.00 4.16 0.00 1.84 1.95 0.00 3.24 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 1.87 1.91 0.00 50 Y 7.07 4.26 0.00 2.91 2.75 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 51 H 8.99 4.48 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 8.32 4.71 0.00 3.28 3.40 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 7.08 4.74 0.00 1.65 1.60 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.64 3.85 0.00 1.94 2.02 0.00 3.44 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 55 I 7.78 3.77 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 1.44 0.76 0.89 0.00 0.00 56 R 8.18 4.27 0.00 1.66 1.68 0.00 3.16 0.00 0.00 3.04 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 57 T 7.94 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 7.19 4.34 0.00 1.59 1.52 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.30 7.81 59 P 0.00 4.22 0.00 2.08 1.91 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 1.90 0.00 60 F 7.88 3.92 0.00 2.30 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 8.13 4.52 0.00 4.15 4.02 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 62 W 7.84 5.18 0.00 3.46 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 63 G 8.52 3.69 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 0.00 0.00 0.00 64 D 8.90 4.61 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 8.39 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 0.00 0.00 0.00 66 N 8.55 4.96 0.00 2.62 2.85 0.00 0.00 6.97 7.40 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 67 H 7.98 4.86 0.00 3.13 3.16 0.00 5.95 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 68 T 8.32 3.51 4.24 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 1.28 0.00 0.00 69 F 8.93 3.35 0.00 2.50 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 7.58 4.93 0.00 3.12 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 8.24 4.17 0.00 3.30 3.29 0.00 5.87 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 9.36 4.80 0.00 2.69 2.79 0.00 0.00 6.77 7.72 0.00 0.00 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 4.38 0.00 2.10 2.19 0.00 3.73 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 8.09 4.07 0.00 1.88 1.97 0.00 3.31 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 1.61 1.71 0.00 75 V 7.76 4.48 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 8.49 4.79 0.00 2.66 2.83 0.00 0.00 6.99 7.85 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 77 P 0.00 4.08 0.00 1.43 0.49 0.00 3.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 78 L 7.88 4.34 0.00 1.72 1.54 0.84 0.75 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 4.40 0.00 2.04 2.16 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 2.24 0.00 80 T 7.54 4.27 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 1.20 0.00 0.00 81 G 7.30 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 7.57 4.30 0.00 2.91 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 4.38 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 2.32 2.36 0.00 84 K 8.49 4.14 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 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.