NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2958 8.1576 120.1190 55.6871 34.8052 176.0567 4 P 4.3264 0.0000 0.0000 62.4810 32.9652 176.6406 5 I 3.5474 7.7825 121.6392 65.1163 38.0140 177.8501 6 L 3.9633 7.7217 119.7514 58.0654 42.1982 178.3172 7 K 4.0691 7.8851 117.5923 59.7373 32.5379 177.9406 8 D 4.6048 8.5757 119.5317 57.3456 40.6218 179.1335 9 S 4.1310 8.3854 112.1393 59.3265 62.3451 175.8890 *11 K 4.2077 7.9409 125.0575 56.4324 33.4668 177.5458 12 L 3.8846 7.9024 119.9509 58.0699 41.8684 178.2010 13 F 4.9833 7.9797 115.2493 58.1632 38.9944 177.0692 14 E 4.8292 8.4585 120.9845 58.1819 28.9940 178.5549 15 A 4.0229 7.5715 119.2014 54.4909 18.3983 178.4583 16 L 4.3847 8.2012 115.7195 55.8873 42.7573 176.4761 17 G 3.8407 8.4993 106.2517 44.0887 0.0000 172.8525 18 T 4.1692 8.3688 115.2788 64.2513 68.8979 173.2754 19 I 4.9362 8.3520 126.0287 59.5884 39.4676 175.0732 20 K 4.8251 9.2388 125.7372 54.7135 35.4336 175.1360 21 S 5.9189 8.7494 116.3284 55.9488 65.8707 172.7389 22 R 4.7926 8.4508 119.8888 54.9095 32.7742 174.1232 23 S 4.4958 8.4219 115.5680 57.6481 63.8123 174.3479 *25 F 4.4225 8.3488 117.4516 57.4738 39.9212 176.7403 26 G 3.6489 8.1912 108.6243 44.9920 0.0000 174.6246 27 G 3.7416 6.9276 109.1572 45.3850 0.0000 172.8764 28 F 4.8523 9.1912 123.6205 55.3680 42.3508 175.0213 29 G 3.8437 8.9526 111.8674 45.7620 0.0000 172.0379 30 L 5.4018 8.3366 122.6550 52.6345 44.4854 175.5954 31 F 5.3953 9.5610 121.5603 55.7366 42.9147 173.9493 32 A 4.9632 9.0961 123.5575 50.7714 22.7475 175.6617 33 D 4.4100 9.7415 118.7009 55.6913 38.6659 174.1546 34 E 4.0428 8.6228 112.1594 57.5060 28.1756 175.2149 35 T 4.7076 8.0605 117.8863 62.8100 70.3485 174.9541 *37 F 4.9705 8.5874 117.5598 57.5300 40.5614 174.7674 38 A 5.1734 6.8909 119.0066 50.8886 23.2249 174.8466 39 L 4.7246 8.9449 120.7716 53.4281 46.0385 174.9554 40 V 5.0423 8.7676 126.9344 61.3031 33.5808 174.6621 41 V 4.5284 8.7425 126.0798 60.8952 35.0641 173.4248 42 N 4.3369 9.4690 116.7283 54.8449 36.1663 173.5032 43 N 4.2600 8.4687 110.5346 54.4973 37.9870 173.3241 44 Q 4.6253 8.0222 113.0950 53.4105 32.8664 174.2817 45 L 4.7170 8.7649 124.2900 55.3348 43.5203 175.0547 46 H 5.5720 9.6692 123.2401 54.1798 32.5518 172.7636 47 I 5.0049 8.7080 122.1068 59.3674 40.3845 174.9062 48 R 3.7098 8.7173 126.4385 56.0342 30.4031 175.4355 49 A 4.5435 8.5443 129.6243 50.2165 20.4122 176.7742 50 D 4.4986 8.3904 122.0246 52.5887 40.8379 177.2477 51 Q 3.9094 8.7681 117.8425 59.4234 28.6553 179.2806 52 Q 3.8844 7.9572 119.5598 59.5826 29.0089 178.4336 53 T 3.5057 8.2626 116.9533 66.4400 68.3916 176.8062 54 S 3.9123 8.4034 115.3937 61.2486 62.4371 176.2576 55 S 4.1345 8.2732 118.2369 61.5913 62.6147 176.0960 56 D 4.3113 7.8361 120.0196 57.4921 40.9339 177.9404 57 F 4.3623 8.2958 118.5903 61.0928 38.9614 177.7802 58 E 4.4764 8.4646 119.0513 59.4129 29.0721 179.5789 59 T 3.9966 7.9692 114.6076 66.1763 68.4578 175.5778 60 Q 4.5599 7.9502 117.9755 55.4871 29.0594 176.5761 61 G 3.9410 7.9649 107.5923 45.4705 0.0000 173.9582 62 L 4.6547 8.0260 119.7954 53.1077 43.2666 175.7784 63 K 4.6918 8.3805 119.7297 53.9352 35.1517 174.9352 64 P 3.7157 0.0000 0.0000 61.6066 32.5139 175.1332 65 Y 4.2545 8.7850 121.0861 57.7772 39.8690 174.6155 66 V 4.4638 7.4706 125.3941 61.0309 34.0359 173.9060 67 Y 4.5737 8.3169 129.4830 56.7533 40.2207 174.1828 68 K 4.8555 7.9111 124.3092 54.4521 36.0956 175.8059 69 K 4.2015 8.5068 124.1407 56.3294 35.1943 176.4277 70 R 3.7141 9.7915 126.2870 57.3782 27.7232 177.0096 71 G 3.7578 8.4387 102.3251 45.2957 0.0000 173.2631 72 F 4.7749 8.2898 123.3899 55.6244 40.8752 172.5311 73 P 5.0498 0.0000 0.0000 61.8666 33.1234 175.6684 74 V 4.2937 8.7766 122.3785 61.0396 34.1262 174.4733 75 V 4.1190 8.4210 129.2447 62.7918 32.0489 175.7889 76 T 4.2885 8.2105 118.9590 60.3483 71.1812 174.5148 77 K 4.5074 8.5196 117.7717 56.6476 33.5581 175.5827 78 Y 4.9258 8.2048 120.0239 56.7968 39.7397 174.1355 79 Y 5.0510 9.0345 122.4033 55.6613 40.7202 175.3410 80 A 4.3717 8.8980 126.3989 52.2313 18.9749 177.3309 81 I 4.2908 8.5870 117.0410 60.1644 39.0021 176.0850 82 S 4.4961 8.4827 117.3681 57.5690 64.1269 174.0554 83 S 4.4156 8.9358 116.6658 61.9927 62.5645 176.4554 84 E 4.0537 8.3961 119.1895 59.4481 29.1276 178.9265 85 L 4.0088 7.9617 118.8912 57.8672 41.4500 179.6541 86 W 4.0194 7.8172 117.8811 59.7663 29.1271 177.9698 87 E 4.3100 8.2293 116.2318 57.3745 30.4601 177.2378 88 S 4.7347 7.8658 114.7278 55.9678 62.1234 173.8374 89 S 4.0882 8.2242 122.3095 62.0354 63.1664 176.2838 90 D 4.3542 8.0366 120.5693 57.2422 40.6280 178.6509 91 R 3.8917 7.9269 118.8473 59.3560 30.1126 178.2256 92 L 3.9818 8.3063 120.5578 58.0589 41.9915 178.8346 93 I 3.9591 7.9715 119.9446 64.6430 37.1066 178.0606 94 E 3.9440 8.3496 119.9677 59.0183 29.4067 179.0602 95 V 3.5566 7.8394 118.3708 65.8266 31.5649 177.9107 96 A 3.8764 8.1402 120.6144 54.9983 18.0657 179.6882 97 K 3.7022 8.2308 117.3762 59.6161 32.1313 179.7800 98 K 3.9353 8.1236 118.6838 59.2054 31.8012 179.5322 99 S 4.0135 7.9883 113.6089 61.1821 62.4533 175.7709 100 L 3.8988 8.0779 123.5033 58.1204 41.5202 178.4153 101 E 3.8682 7.9863 117.9869 59.6451 29.7280 178.4218 102 N 4.4361 8.2868 116.0557 56.1283 38.3174 177.3502 103 A 4.0101 8.0494 121.8496 54.6953 18.5299 179.2352 104 K 4.1738 7.8103 115.4489 58.1066 32.3939 177.1317 105 L 4.1570 7.3221 123.8032 54.9834 41.4993 176.7291 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 3 K 8.16 4.30 0.00 1.78 1.77 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.40 7.81 4 P 0.00 4.33 0.00 2.28 2.20 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 5 I 7.78 3.55 1.74 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 1.51 1.62 0.98 0.00 0.00 6 L 7.72 3.96 0.00 1.64 1.61 0.96 0.11 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 7 K 7.89 4.07 0.00 1.75 1.80 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 8 D 8.58 4.60 0.00 2.69 2.76 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 9 S 8.39 4.13 0.00 4.19 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 0.00 *11 K 7.94 4.21 0.00 1.83 1.93 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 L 7.90 3.88 0.00 1.71 1.14 0.82 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.98 4.98 0.00 3.37 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 14 E 8.46 4.83 0.00 2.15 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 2.27 0.00 15 A 7.57 4.02 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 16 L 8.20 4.38 0.00 1.64 1.55 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.50 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 0.00 0.00 0.00 18 T 8.37 4.17 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 1.25 0.00 0.00 19 I 8.35 4.94 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.13 1.15 0.00 0.00 20 K 9.24 4.83 0.00 1.71 1.62 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.40 7.81 21 S 8.75 5.92 0.00 3.89 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 22 R 8.45 4.79 0.00 1.83 1.87 0.00 2.86 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 23 S 8.42 4.50 0.00 3.64 3.58 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 *25 F 8.35 4.42 0.00 2.98 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 26 G 8.19 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 27 G 6.93 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.19 4.85 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 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 0.00 0.00 0.00 30 L 8.34 5.40 0.00 0.80 1.14 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.56 5.40 0.00 2.97 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 32 A 9.10 4.96 1.16 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 0.00 0.00 33 D 9.74 4.41 0.00 2.80 2.73 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 34 E 8.62 4.04 0.00 2.18 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 2.23 2.35 0.00 35 T 8.06 4.71 4.44 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 1.28 0.00 0.00 *37 F 8.59 4.97 0.00 3.05 3.28 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 38 A 6.89 5.17 0.76 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 39 L 8.94 4.72 0.00 0.88 1.19 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.77 5.04 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 1.07 0.00 0.00 1.04 0.00 0.00 41 V 8.74 4.53 1.66 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 -0.43 0.00 0.00 0.77 0.00 0.00 42 N 9.47 4.34 0.00 2.91 2.97 0.00 0.00 6.99 8.00 0.00 0.00 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 N 8.47 4.26 0.00 2.80 2.84 0.00 0.00 6.99 7.08 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 44 Q 8.02 4.63 0.00 2.33 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 45 L 8.76 4.72 0.00 2.22 1.92 1.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.67 5.57 0.00 3.33 3.53 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.71 5.00 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.04 1.01 0.00 0.00 48 R 8.72 3.71 0.00 1.58 1.74 0.00 3.29 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 0.00 49 A 8.54 4.54 1.05 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 0.00 0.00 50 D 8.39 4.50 0.00 2.85 2.76 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 51 Q 8.77 3.91 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 52 Q 7.96 3.88 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 53 T 8.26 3.51 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 54 S 8.40 3.91 0.00 3.88 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 55 S 8.27 4.13 0.00 3.86 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 56 D 7.84 4.31 0.00 2.85 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 57 F 8.30 4.36 0.00 3.04 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 58 E 8.46 4.48 0.00 2.24 2.08 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 2.48 2.55 0.00 59 T 7.97 4.00 4.43 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 1.23 0.00 0.00 60 Q 7.95 4.56 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.80 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 61 G 7.96 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 62 L 8.03 4.65 0.00 1.80 1.66 0.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.38 4.69 0.00 1.71 1.67 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 64 P 0.00 3.72 0.00 2.00 1.22 0.00 3.73 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 1.85 2.02 0.00 65 Y 8.79 4.25 0.00 3.05 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 66 V 7.47 4.46 1.86 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 0.72 0.00 0.00 0.85 0.00 0.00 67 Y 8.32 4.57 0.00 3.28 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 68 K 7.91 4.86 0.00 1.46 1.50 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.23 7.81 69 K 8.51 4.20 0.00 1.43 1.38 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.41 7.81 70 R 9.79 3.71 0.00 1.93 1.94 0.00 3.30 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 71 G 8.44 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 72 F 8.29 4.77 0.00 3.01 2.73 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 73 P 0.00 5.05 0.00 2.07 1.97 0.00 3.75 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 1.93 1.91 0.00 74 V 8.78 4.29 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 0.86 0.00 0.00 75 V 8.42 4.12 2.04 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 0.80 0.00 0.00 0.89 0.00 0.00 76 T 8.21 4.29 4.32 0.00 0.00 0.00 0.00 0.00 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 77 K 8.52 4.51 0.00 1.54 1.90 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 78 Y 8.20 4.93 0.00 3.09 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 79 Y 9.03 5.05 0.00 3.05 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 80 A 8.90 4.37 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 81 I 8.59 4.29 1.89 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.98 0.00 0.00 82 S 8.48 4.50 0.00 4.21 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 83 S 8.94 4.42 0.00 3.94 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 84 E 8.40 4.05 0.00 2.13 2.02 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 2.43 2.50 0.00 85 L 7.96 4.01 0.00 1.96 1.64 0.93 0.95 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 86 W 7.82 4.02 0.00 3.50 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 87 E 8.23 4.31 0.00 2.21 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 2.39 2.42 0.00 88 S 7.87 4.73 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.22 4.09 0.00 3.91 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 90 D 8.04 4.35 0.00 2.69 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 91 R 7.93 3.89 0.00 1.88 2.10 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 92 L 8.31 3.98 0.00 1.88 1.67 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.97 3.96 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.95 0.00 0.00 94 E 8.35 3.94 0.00 2.09 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 2.30 2.34 0.00 95 V 7.84 3.56 2.24 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 0.97 0.00 0.00 0.97 0.00 0.00 96 A 8.14 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.23 3.70 0.00 1.86 1.79 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.67 7.81 98 K 8.12 3.94 0.00 1.91 1.81 0.00 1.64 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.72 7.81 99 S 7.99 4.01 0.00 3.89 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 0.00 100 L 8.08 3.90 0.00 1.52 1.63 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.99 3.87 0.00 2.07 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 0.00 2.29 2.33 0.00 102 N 8.29 4.44 0.00 2.86 2.95 0.00 0.00 6.98 7.06 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 0.00 103 A 8.05 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.81 4.17 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.60 7.81 105 L 7.32 4.16 0.00 1.70 1.57 0.95 0.78 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 * Residues marked with a * may have inaccurate shift predictions.