NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6203 8.1476 118.3358 54.6214 33.8420 174.0458 2 V 3.6634 8.2432 119.1698 61.7753 32.4737 174.4392 3 K 4.9395 9.6618 126.3655 55.0060 35.9117 176.9624 4 I 5.2294 8.7290 121.2589 58.5198 39.1185 174.8658 5 R 5.0178 7.9663 123.6510 54.2419 33.3114 173.8246 6 L 5.1482 8.4736 117.5716 53.6951 43.6072 176.1354 7 A 4.8803 8.6627 123.8406 50.0271 21.8682 175.6152 8 R 4.0907 8.7618 122.5104 56.1860 30.3366 176.5818 9 F 4.5841 8.9185 121.2171 56.4040 41.4291 176.3161 10 G 4.5115 8.6125 112.2988 44.4420 0.0000 177.0244 11 S 4.4339 8.6552 117.5835 56.8768 64.6520 175.6041 12 K 3.6679 8.7072 121.8922 58.6056 31.7153 175.8799 13 H 4.2284 9.0898 121.3606 56.5071 26.7503 175.0868 14 N 5.0180 8.7335 117.7571 51.5556 38.7554 172.1541 15 P 4.5522 0.0000 0.0000 63.4429 33.0421 177.7083 16 H 4.5840 8.2969 118.7323 55.0191 32.9165 172.2992 17 Y 5.8963 8.9746 121.2936 56.1037 41.1324 174.8884 18 R 5.0054 8.6058 119.4146 54.4019 33.3444 175.2183 19 I 4.1990 8.9483 126.4126 61.3796 37.9497 175.4322 20 V 4.5679 9.0228 127.5063 61.0336 35.3304 174.6713 21 V 4.8803 8.1499 125.3334 60.2594 31.5928 173.9162 22 T 4.8595 7.7251 120.0033 59.1027 71.3676 171.9456 23 D 4.6183 8.6862 125.7914 54.4796 41.7413 176.5654 24 A 3.9639 8.2824 128.7347 55.7213 18.3917 179.0308 25 R 4.0305 8.6587 112.5210 57.9905 30.2074 177.1267 26 R 4.2735 7.8431 118.9259 54.7455 30.6166 175.6517 27 K 4.3093 8.2292 119.9387 56.3288 33.3722 178.3054 28 R 3.9902 8.5107 116.4147 59.1237 29.6650 177.0867 29 D 4.6966 8.0522 116.0957 53.8605 40.9694 176.4812 30 G 3.9427 7.2784 109.3212 43.5274 0.0000 172.7293 31 K 3.6497 8.6503 121.3088 56.9146 31.5689 176.1610 32 Y 4.6712 7.9425 124.1528 56.0269 39.5503 175.6095 33 I 4.0611 8.0845 120.9595 63.4623 38.0993 176.4454 34 E 5.0414 7.9300 119.4201 55.4481 32.5819 175.1153 35 K 4.5365 9.2367 128.2865 55.5261 33.5145 175.9780 36 I 4.6686 9.8586 118.6707 59.0339 39.9830 175.1919 37 G 4.2016 7.1785 112.0717 45.6195 0.0000 170.5750 38 Y 5.4414 7.2078 116.9375 55.7872 42.3110 173.8791 39 Y 5.3882 9.1881 120.7089 56.8176 42.8037 172.9969 40 D 4.7284 9.2543 128.0599 51.6007 41.5595 174.8880 41 P 4.1804 0.0000 0.0000 63.8093 31.2863 177.4173 42 R 4.1383 8.3697 117.0490 55.2177 31.1761 176.1094 43 K 3.6542 7.5739 117.2978 57.6556 29.5497 174.6439 44 T 4.5074 8.6181 103.6966 61.0941 69.5699 175.1631 45 T 4.5475 7.4569 113.4110 60.9743 69.8457 171.6959 46 P 4.5828 0.0000 0.0000 64.5542 31.9469 175.8962 47 D 4.9507 8.1350 119.1809 53.0011 40.5538 175.2822 48 W 4.9697 7.4108 114.8878 55.8440 30.3544 177.0194 49 L 4.7257 7.1034 117.0125 54.8116 44.2580 173.3229 50 K 4.4305 8.1039 127.7800 54.4879 35.7619 175.0292 51 V 4.6115 7.9264 125.4184 60.7240 34.5191 175.8415 52 D 4.6570 9.1061 129.6371 54.0259 39.5779 177.1665 53 V 3.3482 7.4049 123.5593 64.5193 32.4441 178.7841 54 E 3.8915 8.0904 120.9638 58.5089 29.5272 178.3680 55 R 3.9589 9.0378 118.0527 59.7428 30.3772 178.2196 56 A 4.0774 8.3340 119.9363 55.7714 18.2067 179.7469 57 R 3.7570 7.8333 114.9529 59.5311 30.0249 178.0378 58 Y 4.1042 7.7957 117.6484 60.7611 38.9052 178.2596 59 W 3.7541 7.9332 118.7737 59.7711 29.1329 178.2429 60 L 4.1651 8.1007 119.1030 58.2515 40.8452 179.9761 61 S 4.1191 7.9119 113.0825 61.2895 62.9931 176.1007 62 V 3.9951 7.0477 113.2688 60.7735 31.3862 176.6096 63 G 4.0953 7.5671 106.6535 44.8899 0.0000 174.1758 64 A 4.5113 7.9643 121.6918 51.9063 19.4297 177.2792 65 Q 4.7175 8.9108 121.5747 53.4237 31.1101 173.6518 66 P 5.6054 0.0000 0.0000 61.7659 32.9108 176.1216 67 T 4.1081 8.3454 117.8185 63.5942 69.6400 175.1948 68 D 4.2836 8.6946 122.1943 57.7318 40.8505 179.0919 69 T 3.9860 7.7975 115.6011 65.9709 68.6272 176.7941 70 A 3.9370 7.7261 122.5162 54.9954 18.4847 179.5020 71 R 3.9776 8.3096 117.6327 59.3618 30.1418 178.4566 72 R 3.8790 7.6862 118.1628 59.5824 29.9332 178.5121 73 L 3.8277 7.6389 117.8224 57.9114 41.6319 179.1902 74 L 3.8326 8.0071 118.9736 58.0127 41.2709 179.8797 75 R 4.0678 8.3045 118.2767 59.7113 30.0259 178.0752 76 Q 3.9639 7.8670 117.7780 59.3472 28.9559 178.1311 77 A 4.1657 8.0586 119.9935 52.8168 18.7224 178.1483 78 G 3.9267 9.8854 105.9641 44.9422 0.0000 175.7064 79 V 3.3073 7.7816 120.9108 65.0469 31.3771 176.8081 80 F 4.7400 7.6520 115.4085 57.2195 39.7900 176.0418 81 R 4.1176 7.5628 121.4509 56.6502 30.4537 174.6750 82 Q 4.3358 8.4402 120.2729 57.4815 31.0956 176.0919 83 E 3.7646 7.9348 115.4072 55.6003 28.8720 174.4608 *84 A 4.1104 8.3375 121.2522 52.6523 18.9361 176.7542 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 8.15 4.62 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 V 8.24 3.66 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 0.82 0.00 0.00 0.84 0.00 0.00 3 K 9.66 4.94 0.00 1.70 1.80 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.53 7.81 4 I 8.73 5.23 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.09 0.87 0.00 0.00 5 R 7.97 5.02 0.00 1.81 2.01 0.00 2.95 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 6 L 8.47 5.15 0.00 1.39 1.57 0.85 0.17 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 7 A 8.66 4.88 1.57 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 0.00 0.00 8 R 8.76 4.09 0.00 1.85 1.83 0.00 3.14 0.00 0.00 2.95 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 9 F 8.92 4.58 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 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 11 S 8.66 4.43 0.00 3.94 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 0.00 12 K 8.71 3.67 0.00 1.66 1.74 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.09 1.37 7.81 13 H 9.09 4.23 0.00 3.36 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.73 5.02 0.00 2.69 2.63 0.00 0.00 6.97 5.40 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 15 P 0.00 4.55 0.00 1.78 1.89 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 16 H 8.30 4.58 0.00 3.07 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.97 5.90 0.00 3.23 3.04 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 0.00 0.00 0.00 0.00 18 R 8.61 5.01 0.00 1.70 1.57 0.00 2.21 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.31 0.00 19 I 8.95 4.20 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 1.12 0.77 0.86 0.00 0.00 20 V 9.02 4.57 1.97 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 1.06 0.00 0.00 0.27 0.00 0.00 21 V 8.15 4.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.28 0.00 0.00 22 T 7.73 4.86 4.30 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 1.21 0.00 0.00 23 D 8.69 4.62 0.00 2.78 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 24 A 8.28 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 4.03 0.00 1.93 2.01 0.00 3.17 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 26 R 7.84 4.27 0.00 1.78 1.86 0.00 3.36 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 27 K 8.23 4.31 0.00 1.98 1.94 0.00 1.56 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 28 R 8.51 3.99 0.00 1.98 2.12 0.00 3.08 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 D 8.05 4.70 0.00 2.59 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 30 G 7.28 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 0.00 0.00 0.00 31 K 8.65 3.65 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 32 Y 7.94 4.67 0.00 3.05 2.92 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 0.00 0.00 0.00 33 I 8.08 4.06 2.02 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 1.12 0.53 0.88 0.00 0.00 34 E 7.93 5.04 0.00 2.18 1.74 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 2.27 2.31 0.00 35 K 9.24 4.54 0.00 1.99 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.26 7.81 36 I 9.86 4.67 1.91 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 1.27 1.12 1.03 0.00 0.00 37 G 7.18 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 0.00 0.00 0.00 0.00 38 Y 7.21 5.44 0.00 3.18 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 39 Y 9.19 5.39 0.00 3.14 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 40 D 9.25 4.73 0.00 2.81 2.72 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 0.00 0.00 0.00 0.00 41 P 0.00 4.18 0.00 2.22 2.16 0.00 3.24 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.16 0.00 42 R 8.37 4.14 0.00 1.77 1.90 0.00 3.26 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 43 K 7.57 3.65 0.00 1.27 0.92 0.00 1.10 0.00 0.00 1.22 0.00 0.00 2.33 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.62 4.51 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 1.22 0.00 0.00 45 T 7.46 4.55 4.30 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 1.37 0.00 0.00 46 P 0.00 4.58 0.00 2.29 2.25 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 47 D 8.14 4.95 0.00 2.71 2.72 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 0.00 0.00 0.00 0.00 48 W 7.41 4.97 0.00 3.75 3.41 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 49 L 7.10 4.73 0.00 1.51 0.83 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.10 4.43 0.00 1.32 0.74 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.39 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.07 1.17 7.81 51 V 7.93 4.61 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 0.75 0.00 0.00 0.80 0.00 0.00 52 D 9.11 4.66 0.00 2.68 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 53 V 7.40 3.35 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 0.60 0.00 0.00 0.85 0.00 0.00 54 E 8.09 3.89 0.00 2.08 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 2.35 2.44 0.00 55 R 9.04 3.96 0.00 2.13 2.21 0.00 3.42 0.00 0.00 3.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.08 0.00 56 A 8.33 4.08 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 57 R 7.83 3.76 0.00 2.20 2.01 0.00 3.13 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 58 Y 7.80 4.10 0.00 2.92 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 59 W 7.93 3.75 0.00 3.57 3.19 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 0.00 60 L 8.10 4.17 0.00 1.89 1.81 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.91 4.12 0.00 3.95 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 62 V 7.05 4.00 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 0.32 0.00 0.00 0.35 0.00 0.00 63 G 7.57 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 0.00 0.00 0.00 64 A 7.96 4.51 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.91 4.72 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 66 P 0.00 5.61 0.00 2.20 2.10 0.00 3.42 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 67 T 8.35 4.11 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 1.20 0.00 0.00 68 D 8.69 4.28 0.00 2.65 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 69 T 7.80 3.99 4.14 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 0.00 0.00 0.00 1.04 0.00 0.00 70 A 7.73 3.94 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 71 R 8.31 3.98 0.00 1.92 2.14 0.00 2.99 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 72 R 7.69 3.88 0.00 2.01 2.04 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 73 L 7.64 3.83 0.00 1.62 1.52 0.24 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.01 3.83 0.00 2.00 1.55 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.30 4.07 0.00 2.32 2.18 0.00 3.15 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 76 Q 7.87 3.96 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 77 A 8.06 4.17 1.24 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 0.00 0.00 78 G 9.89 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.78 3.31 1.22 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 0.24 0.00 0.00 0.70 0.00 0.00 80 F 7.65 4.74 0.00 3.07 3.04 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 0.00 0.00 0.00 0.00 81 R 7.56 4.12 0.00 1.77 1.84 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 82 Q 8.44 4.34 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.76 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 83 E 7.93 3.76 0.00 2.13 2.01 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 2.20 2.24 0.00 *84 A 8.34 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.