NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8716 8.0932 114.8189 57.7719 64.5309 174.2211 2 L 4.0921 8.3739 119.4676 56.6242 41.2185 178.1562 3 L 3.9463 8.5152 122.2188 58.2761 42.5449 178.5675 4 E 4.0346 7.9984 117.9892 59.3355 29.4095 178.9635 5 F 4.6613 8.4801 120.9235 61.4625 39.4863 177.4220 6 G 3.5106 8.6340 105.8212 47.4828 0.0000 175.6420 7 K 4.0049 7.9797 121.5635 59.6379 32.1975 178.8302 8 M 4.1023 8.2342 118.9612 58.4608 31.8286 178.7681 9 I 3.5976 7.7322 119.8687 64.3123 37.2218 178.2338 10 L 4.5881 7.7774 122.3982 57.7889 41.6793 178.9069 11 E 3.9894 8.0806 117.5288 59.4405 29.4837 178.8241 12 E 4.1811 8.4373 118.2115 58.6933 29.7792 178.3631 13 T 4.4248 8.3719 108.1682 60.9585 70.3276 175.9500 14 G 3.7898 8.0201 109.6972 45.6967 0.0000 173.0283 *16 K 4.5886 7.4452 117.7468 55.7791 33.5431 175.1505 17 L 4.3149 8.2483 122.3222 54.5133 42.4690 177.5803 18 A 4.0851 8.9154 127.1050 54.8546 18.3703 177.0476 19 I 4.6753 7.5898 114.8873 59.2436 39.3185 173.6767 20 P 5.3090 0.0000 0.0000 61.9691 31.7148 177.4296 21 S 4.1274 7.5697 116.3471 61.6566 62.6770 174.8306 22 Y 4.6688 8.5019 114.5380 57.5358 38.8717 176.1482 23 S 4.7154 7.9152 114.2025 58.8748 64.0014 175.6249 24 S 4.4926 7.7848 115.7729 58.3288 63.6448 172.2427 25 Y 4.7183 8.2613 123.1723 58.3343 39.9535 175.5423 26 G 3.2981 7.9466 116.8638 46.8824 0.0000 172.9868 27 C 4.4907 9.3799 116.3485 58.0506 40.8585 173.9747 28 Y 4.3841 8.7088 115.0137 57.8860 39.4456 175.6804 29 C 4.8081 8.7178 118.3142 55.9634 39.3824 173.8494 30 G 3.9328 7.8942 112.5983 45.4091 0.0000 170.2311 31 W 4.2840 8.8219 119.8255 59.5240 29.4155 176.9351 32 G 3.9594 8.2085 105.8380 46.2969 0.0000 173.2328 33 G 4.2141 7.8708 101.5981 44.4543 0.0000 172.5372 34 K 4.5339 6.8061 117.0840 56.0404 36.9068 177.7713 35 G 3.9641 9.2278 110.7083 44.8599 0.0000 172.6085 36 T 4.2846 8.1236 115.1442 61.4392 69.2945 173.3915 37 P 4.5662 0.0000 0.0000 62.9571 31.8935 176.7190 38 K 3.7662 8.7922 122.2917 59.2604 32.3422 176.1394 39 D 4.4706 7.3041 115.3079 51.6435 41.7255 174.8857 40 A 3.9977 8.8650 119.6837 56.2375 18.1338 179.9451 41 T 3.9647 8.0638 113.6138 67.0033 68.5818 176.1542 42 D 4.5655 8.9053 120.0874 57.5611 41.1524 178.5314 43 R 4.0077 8.3165 118.7226 59.2181 29.9575 178.3390 44 C 4.2529 8.2332 116.6591 60.3249 40.4755 175.5431 45 C 4.3361 8.1903 118.2322 59.7138 40.1180 175.8864 46 F 3.7370 8.2752 122.4278 61.2209 38.8522 177.3759 47 V 3.2626 8.0116 118.0699 66.1006 31.2535 177.3632 48 H 3.8233 8.1052 117.9935 59.2576 29.5916 177.0031 49 D 4.1538 8.1057 120.8664 57.4680 40.4065 178.1105 50 C 4.1314 7.4405 116.0153 59.8346 36.0361 175.0519 51 C 4.2869 8.2034 120.3685 59.9775 43.3429 175.2621 52 Y 4.2372 8.0207 118.4944 61.0836 37.2311 178.8562 53 G 3.7864 8.4727 105.6739 46.8434 0.0000 174.2757 54 N 4.9140 7.5486 117.2630 52.5426 40.0986 175.3761 55 L 4.8588 7.6574 118.0211 53.0698 42.2579 175.6415 56 P 4.1807 0.0000 0.0000 65.7010 32.0492 178.0602 *59 D 4.7814 7.8871 115.9021 53.2332 41.1459 175.2017 *61 C 5.2148 7.5382 116.5616 57.5967 37.5872 172.7996 *67 N 5.0729 8.3074 115.7975 52.2505 38.4847 173.1808 68 P 3.8188 0.0000 0.0000 65.5528 31.3501 179.0105 69 K 4.2083 7.8489 117.6260 57.4925 32.4341 178.4571 70 S 4.5297 7.7721 111.5473 58.7804 64.7849 174.4760 71 D 4.4415 8.4550 121.9674 54.2611 40.8607 176.2433 72 R 4.4563 8.4312 123.4982 55.9102 31.1623 175.0009 73 Y 4.9414 7.5719 117.5349 55.9700 40.6774 173.6458 74 K 4.9996 8.6563 118.4553 55.0868 36.1819 174.8544 75 Y 5.0476 8.0994 119.1666 56.0764 41.4634 173.0493 76 K 4.6799 9.3368 118.7467 55.4792 37.0574 174.7555 77 R 5.1293 8.5663 117.9784 54.4603 32.9831 175.7091 78 V 4.2954 8.7222 123.8520 62.0816 33.7535 175.0909 79 N 4.2791 9.9098 123.9405 54.4370 35.9336 175.4025 80 G 3.9281 8.6699 104.6566 45.3185 0.0000 173.8867 81 A 4.8163 7.6332 122.5320 49.7248 21.5376 175.8630 82 I 4.3840 8.2339 121.9459 61.4954 38.1252 175.8365 83 V 4.3634 9.3286 126.4347 61.0633 34.3097 173.8469 84 C 4.8460 8.9017 126.3981 56.6463 40.4470 173.8100 85 E 4.1566 8.5077 123.3205 56.5721 30.4217 177.8463 86 K 5.0128 8.0956 123.5095 54.5570 31.9322 176.2285 *88 G 4.3628 7.9017 118.0385 44.7837 0.0000 171.8157 89 T 4.1635 9.0379 115.8967 61.0031 70.9060 175.4408 90 S 4.0369 8.5445 115.6186 61.8728 62.2346 177.0128 91 C 4.2351 8.0772 118.4136 60.1442 41.2275 175.7485 92 E 3.8926 8.2203 120.0451 59.4505 29.0617 179.2895 93 N 4.2128 8.2529 116.4462 56.3960 38.6544 177.7746 94 R 3.8359 7.9465 119.3866 59.1668 30.0789 179.1925 95 I 3.5769 7.8746 119.9999 64.3885 37.0730 177.5397 96 C 3.3265 7.5183 119.1647 59.5368 43.0034 175.5767 97 E 3.8270 8.0389 120.0003 59.3985 28.9977 178.7466 98 C 4.1895 8.1628 116.6118 60.0577 40.4322 175.8949 99 D 3.7266 8.0721 120.5079 56.9133 40.4078 178.6251 100 K 3.7439 8.3238 120.2920 59.5918 32.2094 178.5990 101 A 3.8934 7.9014 120.6337 55.0190 18.1196 179.5536 102 A 3.4820 7.6661 118.5610 54.9867 18.5637 179.6740 103 A 3.7128 8.0665 119.5365 55.3527 18.3642 180.0066 104 I 3.6493 7.6915 118.2860 64.4872 36.9267 177.7398 105 C 4.4138 7.6665 119.7555 59.0026 38.5971 175.3695 106 F 4.6482 8.0033 119.8338 60.8063 38.5117 177.9483 107 R 4.0354 7.9788 115.1827 59.3721 28.8597 178.7985 108 Q 4.1538 8.5716 118.7421 57.7668 28.5511 177.3212 109 N 5.0830 7.6169 116.1313 52.9503 39.3109 176.5761 110 L 4.1795 7.7607 123.3690 57.6604 41.8258 178.6440 111 N 4.6057 8.2571 115.5665 55.2956 39.0350 174.9723 112 T 4.6200 7.8035 106.1232 61.6355 69.3860 173.3154 113 Y 4.1389 7.9727 123.8055 58.1067 39.3029 175.2380 114 S 4.7817 8.8538 123.5166 56.3305 65.2928 175.2964 115 K 4.0035 8.8575 125.3745 59.2722 32.0079 179.1249 116 K 3.9379 7.6888 116.4683 59.1341 32.6882 176.9934 117 Y 4.5191 7.3719 116.6123 58.0094 38.0564 175.2103 118 M 4.4530 7.5278 120.5202 55.9796 32.6740 175.8217 119 L 3.6975 8.2613 119.9376 55.8146 39.9496 174.5156 120 Y 4.0505 7.9272 119.6805 56.5788 39.3681 173.4816 121 P 4.3124 0.0000 0.0000 62.5083 31.9478 176.8450 122 D 4.2996 8.9682 124.0906 57.2650 40.9520 178.5225 *124 F 4.7362 7.8607 111.7578 56.5566 39.5470 175.6173 125 L 3.7189 6.8710 119.2985 55.3418 41.5503 175.8227 126 C 4.8515 7.9807 117.3568 55.0601 36.3013 173.3814 127 K 4.6827 8.3281 123.3578 55.4099 35.9926 176.5484 128 G 3.9760 8.8846 108.6180 45.9706 0.0000 172.3564 129 E 4.4814 8.5153 124.1019 55.1461 30.4967 175.2286 130 L 4.6652 8.4548 127.6050 52.7507 43.7999 176.0011 131 K 4.0516 8.4957 126.2628 56.8818 32.7730 178.0305 *133 C 4.8920 8.5810 118.6289 57.4790 41.5322 173.7226 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 S 8.09 4.87 0.00 4.15 4.34 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 0.00 0.00 0.00 0.00 2 L 8.37 4.09 0.00 1.82 1.84 1.09 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.52 3.95 0.00 1.71 1.63 0.93 0.96 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 4 E 8.00 4.03 0.00 1.80 1.76 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 1.47 2.18 0.00 5 F 8.48 4.66 0.00 3.33 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 6 G 8.63 3.51 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 7 K 7.98 4.00 0.00 2.10 2.19 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.54 7.81 8 M 8.23 4.10 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 1.97 0.00 9 I 7.73 3.60 1.82 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.27 0.71 0.00 0.00 10 L 7.78 4.59 0.00 1.77 1.83 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.08 3.99 0.00 2.19 2.05 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 2.40 2.71 0.00 12 E 8.44 4.18 0.00 1.91 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 2.52 2.42 0.00 13 T 8.37 4.42 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 1.26 0.00 0.00 14 G 8.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 4.59 0.00 1.89 1.68 0.00 1.60 0.00 0.00 1.19 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.31 7.81 17 L 8.25 4.31 0.00 1.69 1.71 0.92 0.86 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 18 A 8.92 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.59 4.68 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.96 0.00 0.00 20 P 0.00 5.31 0.00 2.24 2.29 0.00 3.87 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 2.02 1.95 0.00 21 S 7.57 4.13 0.00 4.03 3.34 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 0.00 0.00 0.00 0.00 22 Y 8.50 4.67 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.72 0.00 4.18 4.15 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 0.00 0.00 0.00 0.00 24 S 7.78 4.49 0.00 4.06 4.13 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 25 Y 8.26 4.72 0.00 2.93 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 26 G 7.95 3.30 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 0.00 27 C 9.38 4.49 0.00 2.95 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 28 Y 8.71 4.38 0.00 3.17 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 29 C 8.72 4.81 0.00 3.45 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 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 31 W 8.82 4.28 0.00 3.32 3.35 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 0.00 32 G 8.21 3.96 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 0.00 0.00 0.00 33 G 7.87 4.21 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 0.00 34 K 6.81 4.53 0.00 1.74 1.66 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 35 G 9.23 3.96 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 0.00 0.00 0.00 36 T 8.12 4.28 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 1.13 0.00 0.00 37 P 0.00 4.57 0.00 1.90 1.97 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 38 K 8.79 3.77 0.00 0.79 0.74 0.00 1.45 0.00 0.00 1.24 0.00 0.00 2.64 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.90 0.21 7.81 39 D 7.30 4.47 0.00 2.93 2.80 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 40 A 8.86 4.00 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 41 T 8.06 3.96 4.28 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 0.85 0.00 0.00 42 D 8.91 4.57 0.00 2.99 2.80 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 43 R 8.32 4.01 0.00 2.10 1.99 0.00 3.14 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 44 C 8.23 4.25 0.00 3.39 2.88 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 45 C 8.19 4.34 0.00 3.36 3.49 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 46 F 8.28 3.74 0.00 2.40 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 47 V 8.01 3.26 2.13 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 0.91 0.00 0.00 1.03 0.00 0.00 48 H 8.11 3.82 0.00 3.10 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.11 4.15 0.00 2.74 2.65 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 50 C 7.44 4.13 0.00 2.80 2.91 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 51 C 8.20 4.29 0.00 2.95 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 52 Y 8.02 4.24 0.00 3.00 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 53 G 8.47 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.55 4.91 0.00 2.82 2.79 0.00 0.00 6.75 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 55 L 7.66 4.86 0.00 1.60 1.49 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.20 2.30 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 *59 D 7.89 4.78 0.00 2.85 2.96 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 *61 C 7.54 5.21 0.00 2.99 3.06 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 0.00 0.00 0.00 *67 N 8.31 5.07 0.00 3.17 2.79 0.00 0.00 7.33 8.03 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 68 P 0.00 3.82 0.00 0.49 1.15 0.00 3.65 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 69 K 7.85 4.21 0.00 1.86 1.91 0.00 1.39 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.65 1.46 7.81 70 S 7.77 4.53 0.00 3.97 3.99 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 71 D 8.45 4.44 0.00 2.68 2.70 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 72 R 8.43 4.46 0.00 1.80 1.82 0.00 3.33 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 73 Y 7.57 4.94 0.00 3.01 2.93 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 74 K 8.66 5.00 0.00 1.75 1.71 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.41 7.81 75 Y 8.10 5.05 0.00 3.14 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 76 K 9.34 4.68 0.00 1.78 1.91 0.00 1.26 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.45 7.81 77 R 8.57 5.13 0.00 1.71 1.91 0.00 3.49 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 78 V 8.72 4.30 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 1.02 0.00 0.00 0.95 0.00 0.00 79 N 9.91 4.28 0.00 2.91 2.88 0.00 0.00 7.20 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 80 G 8.67 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 81 A 7.63 4.82 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 4.38 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.76 0.00 0.00 83 V 9.33 4.36 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 1.08 0.00 0.00 0.99 0.00 0.00 84 C 8.90 4.85 0.00 2.99 2.97 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 85 E 8.51 4.16 0.00 2.07 1.94 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 2.47 2.49 0.00 86 K 8.10 5.01 0.00 1.83 1.72 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 *88 G 7.90 4.36 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 0.00 89 T 9.04 4.16 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 1.24 0.00 0.00 90 S 8.54 4.04 0.00 3.88 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 91 C 8.08 4.24 0.00 2.98 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 92 E 8.22 3.89 0.00 2.15 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 0.00 2.50 2.38 0.00 93 N 8.25 4.21 0.00 2.81 2.80 0.00 0.00 7.05 7.18 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 94 R 7.95 3.84 0.00 1.78 1.89 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 95 I 7.87 3.58 1.66 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 1.16 0.62 0.89 0.00 0.00 96 C 7.52 3.33 0.00 1.92 2.88 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 97 E 8.04 3.83 0.00 2.07 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 2.42 2.41 0.00 98 C 8.16 4.19 0.00 3.17 2.97 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 99 D 8.07 3.73 0.00 2.81 2.81 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 0.00 100 K 8.32 3.74 0.00 1.69 1.88 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.90 3.89 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 0.00 102 A 7.67 3.48 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 0.00 103 A 8.07 3.71 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 0.00 104 I 7.69 3.65 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.87 0.00 0.00 105 C 7.67 4.41 0.00 2.97 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 0.00 106 F 8.00 4.65 0.00 3.01 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 0.00 107 R 7.98 4.04 0.00 2.11 2.28 0.00 2.78 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 108 Q 8.57 4.15 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 109 N 7.62 5.08 0.00 2.87 2.88 0.00 0.00 6.86 7.11 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 0.00 110 L 7.76 4.18 0.00 1.86 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.26 4.61 0.00 2.72 2.88 0.00 0.00 6.77 7.70 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 0.00 112 T 7.80 4.62 4.33 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 1.27 0.00 0.00 113 Y 7.97 4.14 0.00 3.02 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 0.00 114 S 8.85 4.78 0.00 3.71 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 0.00 115 K 8.86 4.00 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.56 7.81 116 K 7.69 3.94 0.00 1.61 1.72 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.21 7.81 117 Y 7.37 4.52 0.00 1.82 1.90 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 0.00 118 M 7.53 4.45 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.70 0.00 119 L 8.26 3.70 0.00 1.86 1.78 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.93 4.05 0.00 3.06 3.01 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 0.00 121 P 0.00 4.31 0.00 1.64 2.11 0.00 2.60 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 1.89 2.02 0.00 122 D 8.97 4.30 0.00 2.81 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 *124 F 7.86 4.74 0.00 3.15 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 0.00 125 L 6.87 3.72 0.00 1.23 1.48 0.14 0.42 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 0.00 126 C 7.98 4.85 0.00 2.98 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 0.00 127 K 8.33 4.68 0.00 1.73 1.65 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.39 7.81 128 G 8.88 3.98 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 0.00 0.00 0.00 129 E 8.52 4.48 0.00 1.98 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 2.34 2.44 0.00 130 L 8.45 4.67 0.00 1.61 1.64 0.84 -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 0.00 0.00 0.00 0.00 131 K 8.50 4.05 0.00 1.88 1.78 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.44 7.81 *133 C 8.58 4.89 0.00 2.94 2.93 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 * Residues marked with a * may have inaccurate shift predictions.