NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2893 8.2649 122.4754 51.7146 19.6387 175.9045 *2 K 4.4924 8.2977 120.4255 57.3986 34.1607 175.7211 3 T 4.5907 8.6815 112.8215 60.7394 70.7664 175.7483 4 L 3.7235 8.5552 122.3191 58.0309 41.4514 179.8757 5 K 4.3329 7.8843 120.2175 58.9255 32.2364 178.3467 6 E 3.9150 8.4363 119.8310 59.1286 29.2840 178.8406 7 L 3.8173 7.6152 118.3121 57.6375 41.9503 179.1261 8 R 4.1791 7.9841 118.8711 59.6574 29.9878 178.7205 9 T 3.9382 8.2899 109.9544 64.9603 68.6812 176.0725 10 D 4.3245 7.9269 120.8815 56.7889 40.8484 177.8530 11 Y 4.6385 7.7205 113.4711 56.8688 38.4394 175.7752 12 G 3.9031 8.2954 107.8926 46.6458 0.0000 173.8310 13 L 4.7807 7.9209 118.5073 52.9986 43.6492 177.4482 14 T 4.3158 8.7981 113.5280 61.2305 71.2071 176.0987 15 Q 4.0089 8.5252 120.7231 58.8556 28.6229 178.9843 16 K 3.8786 7.9999 120.2167 59.7080 32.3325 178.5610 17 E 3.8959 8.3548 118.9557 59.2194 29.3120 179.1909 18 L 3.6495 7.9857 120.6424 57.6684 42.1361 178.7298 19 G 3.8801 8.3705 106.2057 48.4528 0.0000 175.1849 20 D 4.3919 8.3330 122.0127 56.5408 40.6004 178.8054 21 L 3.9434 7.5561 119.8375 57.9797 42.2467 178.3039 22 F 4.8413 8.2398 114.3813 56.4110 39.4345 175.6083 23 K 3.8813 7.7877 117.2575 57.8227 29.8911 174.9493 24 V 4.5943 7.6986 109.8429 58.6550 35.5606 176.4409 25 S 4.4785 8.2752 115.7780 58.0837 65.1236 175.3208 26 S 4.1944 8.6053 117.9591 61.2193 62.6178 176.4443 27 R 4.1396 7.9369 119.2544 58.8845 29.4183 178.5992 28 T 3.8935 7.6708 115.6899 66.4797 68.4441 176.3083 29 I 3.9857 7.2987 121.0672 64.5152 37.4251 177.9681 30 Q 4.2029 8.1851 120.4080 59.0275 28.7886 178.5548 31 N 4.6571 8.2644 115.2144 53.9002 38.2741 176.6988 *33 E 4.2258 8.1699 122.3790 56.4707 31.5781 178.1922 34 K 3.9219 8.2607 119.0041 58.6011 32.4029 176.3849 35 D 4.7845 8.8554 120.2573 52.9078 43.3519 174.7150 36 S 4.6878 8.7915 120.5220 58.1694 63.4748 175.8344 37 T 3.7776 7.9675 119.7603 66.8885 68.2090 174.5884 38 N 4.8831 7.8339 115.2325 52.6473 39.0269 174.5202 39 I 3.7596 7.4149 118.9073 61.1654 38.6285 176.4259 40 K 4.2882 8.4289 126.1520 55.9607 34.1374 177.9820 41 D 4.3366 8.6874 121.9474 57.3888 40.2809 178.7045 42 S 4.1709 8.1223 114.5406 61.1949 62.8760 176.1588 43 L 4.1006 7.7756 123.1128 57.5734 41.9403 178.1836 44 L 4.1058 8.0149 119.3828 58.3810 42.0415 178.7652 45 S 4.2838 8.3130 114.6655 61.4872 62.9420 176.4480 46 K 3.8180 7.2962 121.4851 59.3316 31.5064 179.9589 47 Y 4.5701 7.4790 114.5785 58.3826 37.6241 178.3754 *49 S 4.2560 8.0755 115.2348 58.3644 64.1817 175.3787 50 A 3.7467 8.4782 122.2201 54.7814 17.9706 178.1927 51 F 4.4500 8.3111 111.0414 56.3497 39.9824 175.3136 52 N 4.1874 7.6635 118.6445 55.0073 37.3641 173.9744 53 V 4.5985 7.2766 109.6260 59.3127 35.8618 176.6528 54 K 4.3445 8.5563 122.1654 56.0534 33.0724 177.7613 55 Y 4.0660 8.8254 121.7747 61.1228 38.6727 178.3710 56 D 4.4989 8.3341 117.2023 56.9104 40.9768 177.0630 57 D 4.5812 7.9570 117.4276 55.1629 41.3532 176.0752 58 I 4.4952 7.1934 120.6824 59.3708 38.5290 175.3946 59 F 4.0232 8.9641 130.4884 57.7454 39.8722 174.6091 60 L 4.1398 7.8867 124.4347 51.7606 45.3332 177.0964 61 G 3.7328 7.2421 109.6585 44.4982 0.0000 171.4922 62 N 5.1978 8.9059 119.3035 51.6649 40.0061 175.6176 63 E 3.9626 8.5834 118.7339 59.7932 29.4319 178.8269 64 Y 4.1650 7.6431 116.9200 61.1035 38.1092 178.2743 65 E 4.1900 9.1360 119.8196 59.3989 29.5842 178.7250 66 N 3.5473 9.0937 117.5373 56.7679 38.9632 176.6991 67 F 4.0486 8.3208 121.7671 61.0237 39.4492 177.3067 68 V 3.7617 7.8489 117.7901 65.4127 31.4491 177.9691 69 F 3.9899 8.1109 120.5846 61.5100 39.2069 177.2316 70 T 3.4099 7.7179 115.3675 66.5660 68.1047 176.0173 71 N 3.9905 7.6699 118.7506 56.6642 38.8795 176.6335 72 D 4.2314 7.8669 120.2938 57.0404 40.8349 178.8759 73 K 3.6738 7.4008 118.5391 59.2083 32.1753 178.9191 74 K 3.6738 7.8059 119.7356 59.7474 32.0242 178.5353 75 K 3.8343 8.1629 118.6677 59.9339 32.0835 179.4775 76 S 4.1094 8.0377 115.1391 61.5031 62.7286 176.7309 77 I 3.7226 7.7354 122.6215 64.3620 36.8019 178.6451 78 I 3.7950 7.5376 120.2729 64.4523 36.8287 178.4229 79 L 4.3179 7.9950 118.0396 56.9355 41.7899 179.0634 80 A 4.1332 7.9219 120.9933 55.0207 18.0016 179.4329 81 F 4.0776 8.2896 119.0921 61.4643 39.4169 177.3655 82 K 3.7426 8.4588 116.2114 57.9354 31.9389 177.2373 83 E 4.6140 7.6444 119.5977 55.6452 30.9623 176.0439 84 K 4.5644 7.5420 114.9415 57.0364 38.8234 176.3677 85 Q 4.0246 7.1955 121.5433 56.0243 28.5769 175.6176 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 0 A 8.26 4.29 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 *2 K 8.30 4.49 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.50 7.81 3 T 8.68 4.59 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 1.29 0.00 0.00 4 L 8.56 3.72 0.00 1.60 1.53 0.62 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.88 4.33 0.00 1.84 1.81 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.48 7.81 6 E 8.44 3.91 0.00 2.08 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 0.00 2.31 2.34 0.00 7 L 7.62 3.82 0.00 1.65 0.61 0.83 0.80 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 8 R 7.98 4.18 0.00 2.01 2.13 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 9 T 8.29 3.94 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 1.29 0.00 0.00 10 D 7.93 4.32 0.00 2.86 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.72 4.64 0.00 3.19 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 12 G 8.30 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 0.00 0.00 0.00 13 L 7.92 4.78 0.00 1.70 1.59 1.01 0.88 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 14 T 8.80 4.32 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 1.23 0.00 0.00 15 Q 8.53 4.01 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 16 K 8.00 3.88 0.00 1.86 1.79 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.58 7.81 17 E 8.35 3.90 0.00 2.12 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 2.29 0.00 18 L 7.99 3.65 0.00 1.60 1.50 -0.34 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.37 3.88 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 0.00 0.00 0.00 20 D 8.33 4.39 0.00 2.78 2.71 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 21 L 7.56 3.94 0.00 1.54 1.35 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.24 4.84 0.00 2.99 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 23 K 7.79 3.88 0.00 1.89 1.91 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 24 V 7.70 4.59 2.15 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 0.80 0.00 0.00 1.05 0.00 0.00 25 S 8.28 4.48 0.00 4.06 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 26 S 8.61 4.19 0.00 4.08 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 0.00 27 R 7.94 4.14 0.00 2.07 2.24 0.00 2.98 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 28 T 7.67 3.89 4.47 0.00 0.00 0.00 0.00 0.00 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 29 I 7.30 3.99 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.98 1.01 0.00 0.00 30 Q 8.19 4.20 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 31 N 8.26 4.66 0.00 2.98 2.83 0.00 0.00 6.99 7.98 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 *33 E 8.17 4.23 0.00 2.22 2.06 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 2.34 2.54 0.00 34 K 8.26 3.92 0.00 1.71 1.99 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.34 7.81 35 D 8.86 4.78 0.00 2.57 2.50 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 36 S 8.79 4.69 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.78 4.23 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 1.20 0.00 0.00 38 N 7.83 4.88 0.00 2.67 2.80 0.00 0.00 6.82 7.45 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 39 I 7.41 3.76 1.83 0.00 0.00 0.83 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 0.78 0.90 0.00 0.00 40 K 8.43 4.29 0.00 1.86 1.71 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.50 7.81 41 D 8.69 4.34 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 42 S 8.12 4.17 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.78 4.10 0.00 1.78 1.85 1.13 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.01 4.11 0.00 1.68 1.74 0.85 1.50 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 45 S 8.31 4.28 0.00 3.83 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 0.00 46 K 7.30 3.82 0.00 1.07 0.74 0.00 1.40 0.00 0.00 1.32 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.33 7.81 47 Y 7.48 4.57 0.00 3.37 3.16 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 0.00 *49 S 8.08 4.26 0.00 3.92 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 50 A 8.48 3.75 0.97 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 51 F 8.31 4.45 0.00 3.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.66 4.19 0.00 2.78 2.85 0.00 0.00 6.88 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.28 4.60 2.15 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 1.00 0.00 0.00 1.07 0.00 0.00 54 K 8.56 4.34 0.00 2.06 1.80 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 55 Y 8.83 4.07 0.00 3.01 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.50 0.00 2.76 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 57 D 7.96 4.58 0.00 2.86 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 58 I 7.19 4.50 1.58 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.66 0.00 0.00 59 F 8.96 4.02 0.00 1.70 2.33 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 60 L 7.89 4.14 0.00 0.95 1.08 0.61 0.52 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 61 G 7.24 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.91 5.20 0.00 3.05 3.05 0.00 0.00 7.17 7.61 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 63 E 8.58 3.96 0.00 2.04 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 1.48 1.95 0.00 64 Y 7.64 4.17 0.00 3.29 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 65 E 9.14 4.19 0.00 2.51 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 2.50 2.49 0.00 66 N 9.09 3.55 0.00 3.05 3.09 0.00 0.00 6.86 8.07 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 67 F 8.32 4.05 0.00 3.32 3.24 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 0.00 68 V 7.85 3.76 2.33 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 1.01 0.00 0.00 1.14 0.00 0.00 69 F 8.11 3.99 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.41 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 0.97 0.00 0.00 71 N 7.67 3.99 0.00 2.45 2.76 0.00 0.00 7.25 8.61 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 72 D 7.87 4.23 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.40 3.67 0.00 1.65 1.61 0.00 0.95 0.00 0.00 1.12 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 0.80 7.81 74 K 7.81 3.67 0.00 1.73 1.85 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 75 K 8.16 3.83 0.00 1.88 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.61 7.81 76 S 8.04 4.11 0.00 4.06 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 77 I 7.74 3.72 1.93 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 1.45 0.69 0.84 0.00 0.00 78 I 7.54 3.79 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.94 0.00 0.00 79 L 8.00 4.32 0.00 1.61 1.72 0.97 0.70 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 80 A 7.92 4.13 1.43 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 0.00 0.00 81 F 8.29 4.08 0.00 3.09 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 82 K 8.46 3.74 0.00 1.91 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.57 7.81 83 E 7.64 4.61 0.00 2.33 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 2.22 2.30 0.00 84 K 7.54 4.56 0.00 1.53 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.54 7.81 85 Q 7.20 4.02 0.00 1.72 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.