NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2857 8.3001 118.7933 53.0614 33.5742 175.1273 2 A 3.4364 7.8366 123.2780 52.4617 17.0126 179.0785 *3 H 4.7168 8.2714 116.7322 53.5919 32.4453 175.1613 4 K 4.3503 8.4941 127.6560 56.2200 38.8536 173.9048 5 K 4.3504 8.9362 111.1368 54.4809 36.0848 176.6785 6 A 4.5726 7.9210 127.4720 50.9973 22.0694 175.1845 7 L 4.4728 7.7934 118.4022 54.7682 44.5919 172.6317 8 A 4.2208 8.3557 122.2514 53.5917 20.5929 177.2946 9 S 4.6544 8.7189 114.3043 57.4685 63.9356 170.3679 10 T 4.7008 7.7863 122.5008 61.2148 71.0079 174.4811 11 R 4.6561 7.8214 118.9321 55.9949 31.4675 174.5619 12 N 4.9980 8.1550 110.7193 53.0662 42.6378 177.0047 13 G 4.0190 7.8424 108.3516 45.0979 0.0000 172.6484 14 R 4.5617 7.0995 120.2663 55.2484 34.5710 174.5755 15 D 4.2008 8.0788 115.1299 53.6153 43.4713 175.9536 16 S 4.1972 9.2193 124.2307 59.1241 62.5642 173.5961 17 Q 3.7305 8.1590 123.3544 53.6725 30.0710 177.4170 18 A 4.0638 8.4798 122.7811 53.0301 18.7309 177.7405 19 K 4.2753 8.4516 119.4221 55.9477 33.5957 177.6130 20 R 3.4803 7.4549 107.4057 57.4584 27.6636 175.5367 21 L 4.7859 7.5774 129.3901 53.8583 44.8896 174.2813 22 G 3.8868 7.8452 104.6464 45.3597 0.0000 173.0277 23 V 4.4489 7.9677 121.2215 61.2267 33.6507 176.1317 24 K 4.2090 8.2338 121.6807 56.3328 34.1945 176.7174 25 R 4.3982 7.5149 116.8540 54.4341 31.3699 174.9788 26 Y 4.7287 8.6248 120.6350 56.3707 39.1803 175.1640 27 E 4.1151 9.4228 122.0252 59.0834 29.6549 177.2366 28 G 4.1182 9.2483 116.1259 45.8262 0.0000 172.5313 29 Q 4.7202 8.0539 116.9235 53.3942 32.4786 175.5547 30 V 4.2196 8.4932 122.8316 63.1051 31.5996 175.5337 31 V 4.3047 8.9156 122.3187 60.0798 33.9982 176.3176 32 R 4.5858 8.2825 122.6161 55.9650 30.5342 176.5258 33 A 4.4910 8.5577 128.5380 55.2911 18.8371 177.0482 34 G 4.0130 8.4388 110.0265 45.6057 0.0000 172.2841 35 N 4.6093 8.1094 118.6460 52.8788 39.4920 174.4942 36 I 4.3670 8.4765 118.3401 61.2447 38.1232 175.7607 37 L 4.5430 9.6392 125.4941 55.3893 44.0930 176.3120 38 V 4.8173 7.4227 116.8094 61.5641 35.4077 173.1189 39 R 5.0711 9.2241 124.6622 54.3993 33.4907 174.4865 40 Q 4.7359 8.5734 121.0430 55.1070 30.8701 175.2549 41 R 4.1643 9.0239 121.8252 58.0373 30.5469 176.2535 42 G 3.7481 7.4914 104.7484 43.4318 0.0000 172.9125 43 T 3.6133 6.9974 113.5276 60.3831 66.1123 174.3832 44 R 3.9191 7.5228 124.6277 59.3513 30.8882 177.2965 45 F 4.7010 8.7268 115.8876 56.0062 40.8543 175.2086 46 K 4.5948 9.0121 122.6765 53.5720 34.7166 174.1414 47 P 4.4691 0.0000 0.0000 62.1907 31.7603 175.9107 48 G 4.5072 8.6032 108.6738 46.6622 0.0000 175.4424 49 K 4.2729 9.0200 126.7945 56.6347 32.5207 176.5112 50 N 4.3936 8.9074 121.2933 54.4268 35.8561 173.4368 51 V 4.4938 7.8610 116.9631 61.0670 33.9923 174.8820 52 G 3.8943 7.3940 114.3727 44.9245 0.0000 172.0593 53 M 5.6961 7.7386 119.2511 54.5779 34.8295 174.1045 54 G 3.6546 9.0453 112.9523 45.5723 0.0000 176.2878 55 R 2.8669 7.9841 114.1643 57.3588 32.2498 177.5068 56 D 4.7378 7.6877 121.2210 54.4813 39.5308 176.5294 57 F 3.9042 8.3945 115.1443 59.5395 37.9362 175.9764 58 T 4.2611 8.3971 118.2003 64.3689 69.2680 172.9812 59 L 5.2432 8.8753 126.6824 53.2278 44.4707 175.5430 60 F 5.2192 7.6746 116.1819 55.6973 41.3705 173.2408 61 A 4.6319 8.7963 121.7213 52.0374 19.2600 178.1254 62 L 4.6790 9.2243 119.8499 55.5727 43.4221 177.5275 63 V 4.5957 7.6359 109.9908 59.2610 35.4601 174.4766 64 D 4.6627 8.1496 123.1806 53.5072 42.1329 177.5882 65 G 4.3753 7.5304 106.9821 46.5218 0.0000 171.2677 66 V 5.5698 7.4095 120.4184 59.7797 35.2996 176.5475 67 V 4.0388 8.3831 125.9286 63.3401 32.6693 174.4880 68 E 4.9731 8.3174 126.1046 55.4789 33.4330 173.6198 69 F 5.1213 9.4146 125.8294 56.1842 41.4023 174.8848 70 Q 4.8251 9.9197 124.3344 54.9439 32.5337 173.5489 71 D 4.5891 8.5538 119.6803 53.5900 42.8670 175.2009 72 R 4.6162 8.6225 126.0408 55.6634 32.4152 180.0483 73 G 3.8030 8.9735 111.3294 46.9681 0.0000 176.3437 74 R 4.4650 9.0877 116.1680 56.2853 29.7412 176.7376 75 L 4.5615 8.4723 120.9541 54.9525 44.5243 175.8264 76 G 4.2160 7.9570 103.0671 43.1927 0.0000 172.4119 77 R 4.6867 8.2324 119.8599 55.5074 31.0481 175.3721 78 Y 5.0118 8.4937 120.5075 56.1976 42.0031 174.8618 79 V 4.5068 8.4440 120.6449 61.7451 34.6952 174.2550 80 H 5.4351 9.8249 124.5703 53.9254 33.1310 172.8662 81 V 4.6267 8.4318 118.6090 60.9620 33.5458 175.1972 82 R 4.0244 8.8197 130.2399 55.5418 30.7620 172.9850 83 P 4.6060 0.0000 0.0000 61.9099 30.9379 175.9048 84 L 4.0676 8.2505 126.3858 56.5774 40.5110 177.6139 85 A 4.1422 8.1641 120.0034 52.9090 18.9383 176.0877 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 M 8.30 4.29 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.84 3.44 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 *3 H 8.27 4.72 0.00 2.94 2.90 0.00 7.24 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.49 4.35 0.00 1.71 1.39 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.20 0.94 7.81 5 K 8.94 4.35 0.00 1.70 1.54 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.19 0.92 7.81 6 A 7.92 4.57 1.21 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 0.00 0.00 7 L 7.79 4.47 0.00 1.64 1.42 0.92 0.65 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 8 A 8.36 4.22 1.18 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 0.00 0.00 9 S 8.72 4.65 0.00 3.60 3.66 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 10 T 7.79 4.70 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 1.21 0.00 0.00 11 R 7.82 4.66 0.00 1.71 1.81 0.00 3.21 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 12 N 8.16 5.00 0.00 2.69 2.75 0.00 0.00 7.17 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 13 G 7.84 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 0.00 0.00 0.00 14 R 7.10 4.56 0.00 1.76 1.79 0.00 3.26 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 15 D 8.08 4.20 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 9.22 4.20 0.00 3.91 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 17 Q 8.16 3.73 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 18 A 8.48 4.06 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 19 K 8.45 4.28 0.00 1.74 1.84 0.00 1.91 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.34 7.81 20 R 7.45 3.48 0.00 2.00 2.14 0.00 3.18 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 L 7.58 4.79 0.00 1.65 1.84 0.95 1.14 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 22 G 7.85 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 23 V 7.97 4.45 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 0.61 0.00 0.00 0.66 0.00 0.00 24 K 8.23 4.21 0.00 1.83 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.46 7.81 25 R 7.51 4.40 0.00 1.65 1.80 0.00 3.20 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 26 Y 8.62 4.73 0.00 3.14 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 27 E 9.42 4.12 0.00 2.48 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 2.47 2.74 0.00 28 G 9.25 4.12 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 0.00 0.00 0.00 29 Q 8.05 4.72 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 30 V 8.49 4.22 2.10 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 0.78 0.00 0.00 0.95 0.00 0.00 31 V 8.92 4.30 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 0.69 0.00 0.00 0.98 0.00 0.00 32 R 8.28 4.59 0.00 1.87 1.77 0.00 3.11 0.00 0.00 3.34 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 33 A 8.56 4.49 1.31 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 0.00 0.00 0.00 34 G 8.44 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 0.00 0.00 0.00 35 N 8.11 4.61 0.00 2.68 2.78 0.00 0.00 6.84 7.34 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 36 I 8.48 4.37 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.91 0.00 0.00 37 L 9.64 4.54 0.00 1.37 1.55 0.82 nan 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 V 7.42 4.82 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 0.83 0.00 0.00 0.73 0.00 0.00 39 R 9.22 5.07 0.00 1.75 1.79 0.00 3.37 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 40 Q 8.57 4.74 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.12 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 41 R 9.02 4.16 0.00 1.85 2.10 0.00 3.38 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 42 G 7.49 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 43 T 7.00 3.61 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 1.10 0.00 0.00 44 R 7.52 3.92 0.00 2.20 2.09 0.00 3.37 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 45 F 8.73 4.70 0.00 2.98 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 46 K 9.01 4.59 0.00 0.79 0.96 0.00 1.18 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.00 7.81 47 P 0.00 4.47 0.00 2.13 1.97 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 48 G 8.60 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.02 4.27 0.00 1.83 1.74 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.30 7.81 50 N 8.91 4.39 0.00 2.91 2.91 0.00 0.00 6.51 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 51 V 7.86 4.49 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 0.58 0.00 0.00 0.93 0.00 0.00 52 G 7.39 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 53 M 7.74 5.70 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.49 0.00 54 G 9.05 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.98 2.87 0.00 1.90 2.00 0.00 3.10 0.00 0.00 3.36 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 56 D 7.69 4.74 0.00 2.83 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 57 F 8.39 3.90 0.00 3.43 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 58 T 8.40 4.26 4.37 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 1.34 0.00 0.00 59 L 8.88 5.24 0.00 1.49 1.43 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.67 5.22 0.00 3.20 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 61 A 8.80 4.63 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 62 L 9.22 4.68 0.00 1.55 1.78 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.64 4.60 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 0.70 0.00 0.00 0.94 0.00 0.00 64 D 8.15 4.66 0.00 2.68 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 65 G 7.53 4.38 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 0.00 66 V 7.41 5.57 2.10 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 1.10 0.00 0.00 0.95 0.00 0.00 67 V 8.38 4.04 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 0.95 0.00 0.00 1.05 0.00 0.00 68 E 8.32 4.97 0.00 2.08 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 2.31 2.38 0.00 69 F 9.41 5.12 0.00 3.08 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 70 Q 9.92 4.83 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 71 D 8.55 4.59 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 4.62 0.00 2.24 1.92 0.00 2.93 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 73 G 8.97 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 74 R 9.09 4.47 0.00 1.82 1.96 0.00 3.31 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 L 8.47 4.56 0.00 1.67 1.73 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.96 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 0.00 0.00 0.00 0.00 77 R 8.23 4.69 0.00 1.15 1.55 0.00 2.71 0.00 0.00 2.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 78 Y 8.49 5.01 0.00 2.79 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 79 V 8.44 4.51 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 0.34 0.00 0.00 0.90 0.00 0.00 80 H 9.82 5.44 0.00 3.08 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.43 4.63 2.07 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 0.81 0.00 0.00 0.97 0.00 0.00 82 R 8.82 4.02 0.00 1.97 1.85 0.00 3.18 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 83 P 0.00 4.61 0.00 2.11 2.12 0.00 3.46 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 84 L 8.25 4.07 0.00 1.76 1.80 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.16 4.14 1.21 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.