NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5179 8.1749 117.3744 63.5391 70.0947 173.0244 2 S 4.5982 9.5222 120.7569 55.1567 66.5419 171.6317 3 I 5.3028 8.1780 117.9809 59.7317 41.2544 173.8107 4 M 4.8408 8.7981 119.3149 54.6467 34.9372 173.1946 5 A 5.1652 8.4016 120.6295 50.4094 22.4134 175.5842 6 V 4.5463 8.8533 122.3051 61.1696 34.6767 174.9567 7 T 4.8014 8.6649 117.8067 60.8958 70.2875 173.5326 8 F 4.9702 8.8427 117.7122 55.2627 41.4220 175.5557 9 K 3.9371 8.6897 121.9273 59.6098 31.9525 176.5847 10 D 4.6169 7.3934 114.6050 53.5687 42.9062 177.5897 11 G 4.4551 5.3800 111.0986 45.4584 0.0000 175.8521 12 V 5.0983 8.0507 118.9410 60.4645 33.8680 172.6655 13 I 4.6944 8.8101 121.5361 59.6511 41.0833 174.1792 14 L 5.0741 8.6161 126.0246 53.0663 43.6684 176.0305 15 G 4.3523 9.0354 109.7724 44.8043 0.0000 171.1624 16 A 5.7069 8.3584 119.8262 51.8798 22.0471 176.5553 17 D 4.7588 8.5462 119.8447 52.4227 42.1146 176.4939 18 S 4.8903 8.3464 112.5807 57.1698 64.9073 172.7266 19 R 5.0784 8.6665 121.2294 55.5892 31.4864 175.5621 20 T 4.7990 8.9416 116.3230 60.0961 71.6811 172.9909 21 T 5.1491 8.6672 115.1357 60.0373 72.3033 174.1537 22 T 4.4711 8.7744 112.1867 60.5373 70.2587 174.5936 23 G 4.1269 8.3670 121.1228 46.8696 0.0000 172.8601 24 A 4.4651 8.6415 127.1525 51.8244 19.5889 176.3270 25 Y 4.3885 7.6727 118.8307 56.5521 39.5817 174.7644 26 I 4.2039 7.3452 128.0195 59.7696 36.4696 175.3600 27 A 4.0976 8.3432 129.1404 54.2801 18.6836 177.4629 28 N 4.8821 8.2073 114.3281 51.9701 41.4957 174.5662 29 R 4.5234 8.6353 120.5895 56.3282 30.4618 176.3158 30 V 4.5893 7.9566 112.5305 61.3470 32.5295 176.2916 31 T 3.9896 8.4907 117.0704 63.9849 69.8692 173.6379 32 D 4.9619 8.6309 124.2411 52.7490 42.1356 175.4034 33 K 4.3723 8.6266 124.1108 56.5139 33.5793 176.4001 34 L 4.8961 8.2685 121.7637 53.9465 41.9435 175.6227 35 T 4.5111 8.8721 121.4647 61.7555 70.8671 173.9335 36 R 3.4345 7.8648 126.3068 54.9975 30.3135 176.2193 37 V 4.1888 7.9175 118.7752 61.6781 33.6153 174.8782 38 H 4.5427 7.7154 117.2675 55.1259 32.5106 173.8586 39 D 4.5593 8.3738 123.5097 56.9689 40.7654 179.5353 40 K 5.0683 8.1628 117.3818 56.1216 33.9561 175.7831 41 I 5.1790 8.4494 120.8827 59.8148 41.0120 174.9484 42 W 5.4138 9.6771 126.7496 55.0063 33.6752 173.9536 43 C 5.2903 9.6100 114.6824 57.3847 33.2425 172.5457 44 C 5.2233 9.1231 118.0851 58.2700 30.1632 173.0162 45 R 5.0823 8.3447 122.9023 54.6494 31.4991 175.9432 46 S 4.5010 8.8812 116.5757 57.8926 66.7736 173.4922 47 G 3.9873 8.7469 105.5494 44.0680 0.0000 172.8377 48 S 4.1160 9.2020 116.0791 58.1274 63.0577 176.0118 49 A 4.0710 8.8481 129.7992 55.1127 18.1492 179.1805 50 A 3.9512 7.9367 118.7886 55.3741 18.5074 179.3685 51 D 4.2983 8.1417 117.5449 57.9007 41.0055 179.2740 52 T 3.9667 8.3932 110.6304 64.8204 68.6555 176.5726 53 Q 3.9772 8.2830 120.6586 58.7617 28.7787 178.5232 54 A 4.0114 8.0292 121.7752 55.1424 18.3071 179.8036 55 I 3.6251 8.0856 118.1846 64.4704 37.2503 178.5147 56 A 4.0132 8.5735 121.9668 55.2485 18.2809 179.1984 57 D 4.3206 8.4380 117.7759 57.8397 40.8710 179.3698 58 I 3.7626 7.7374 120.0765 64.2407 36.9957 178.7146 59 V 3.4111 7.8870 119.3954 65.9577 31.2853 177.7531 60 Q 4.0468 8.4332 119.7222 59.3157 28.8166 177.8109 61 Y 4.0099 7.9699 120.3128 61.1005 38.8218 177.6345 62 H 3.7853 8.3707 117.2417 58.9205 28.7231 177.8457 63 L 3.9811 8.1494 120.8336 57.4347 41.4121 179.1017 64 E 3.9219 8.1609 119.5268 59.1716 29.4419 178.7038 65 L 3.7968 7.7320 120.4179 58.0006 42.0271 178.0493 66 Y 3.9446 8.2004 119.8621 61.1115 38.4701 178.4544 67 T 4.6375 8.0781 116.8821 66.4954 68.6781 176.3180 68 S 4.1512 7.6668 115.7295 61.3295 62.8406 176.0263 69 Q 4.0970 7.0673 118.6716 56.4477 29.5508 176.0877 70 Y 4.5013 7.5329 115.0545 57.7005 39.4951 175.5040 *72 G 4.2740 7.5066 108.7481 45.5407 0.0000 171.9845 73 T 4.3010 8.5464 116.0178 63.2635 68.8154 172.4191 74 P 4.3787 0.0000 0.0000 61.9112 32.5085 176.6434 75 S 4.4485 8.0581 115.6108 58.1207 65.2777 175.4831 76 T 3.8956 8.2056 118.1725 66.5427 68.1609 176.6051 77 E 4.0047 8.1211 120.8845 59.6555 29.6552 178.9062 78 T 3.7954 8.0773 115.5517 66.5124 68.4723 176.5284 79 A 3.9698 7.7616 122.6468 55.1059 18.3196 179.5816 80 A 4.1322 8.1750 119.3965 55.1530 18.3676 179.8318 81 S 4.0156 8.0438 111.8598 61.5122 62.5012 176.6071 82 V 3.5141 7.7891 120.8495 65.9653 31.2233 177.7942 83 F 4.0371 8.1895 117.5148 60.5618 38.7674 177.6017 84 K 3.9992 8.5343 119.3621 59.4940 32.0136 178.2035 85 E 4.0102 8.6305 120.0108 59.4322 29.3776 178.9077 86 L 4.0087 8.0006 118.7499 58.2164 41.5333 179.4157 87 C 4.2465 8.2198 115.4298 62.6292 28.2824 175.4021 88 Y 4.2328 8.5640 121.7636 60.6765 38.3964 177.1156 89 E 3.8941 8.2091 119.3255 58.5194 29.6306 177.0571 90 N 5.0317 7.8385 116.1920 52.3686 39.3122 176.5471 91 K 3.7015 7.8154 120.8181 60.0573 32.7252 177.7579 92 D 4.3511 7.5835 118.4987 56.6190 40.9519 177.2851 *94 N 5.0282 7.8333 114.7506 52.6850 39.9909 173.8351 95 L 5.0900 7.7349 115.8920 53.7635 45.9355 176.7404 96 T 4.7344 8.9141 117.2004 61.3802 69.5356 170.9920 97 A 4.9602 8.2914 123.8118 49.7348 22.5087 175.6478 98 G 4.1416 9.3531 110.5060 43.8001 0.0000 171.8175 99 I 5.0170 8.2939 126.7679 58.9338 40.3655 175.3220 100 I 4.3365 8.3642 126.8589 59.5642 39.4227 174.5737 101 V 4.6574 8.3129 127.1300 61.2414 32.9138 174.7619 102 A 4.8547 9.1954 129.2142 50.4368 22.4499 174.8835 103 G 4.5700 8.5895 106.2722 45.8870 0.0000 171.4086 104 Y 4.7913 8.7356 122.8039 55.4701 40.8374 175.2797 105 D 4.0306 7.1706 124.2119 54.2729 41.7015 174.8029 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 T 8.17 4.52 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 1.26 0.00 0.00 2 S 9.52 4.60 0.00 3.70 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 3 I 8.18 5.30 1.87 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 1.40 0.65 0.92 0.00 0.00 4 M 8.80 4.84 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 A 8.40 5.17 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 6 V 8.85 4.55 2.11 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 1.11 0.00 0.00 0.93 0.00 0.00 7 T 8.66 4.80 4.25 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 1.24 0.00 0.00 8 F 8.84 4.97 0.00 3.25 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 9 K 8.69 3.94 0.00 1.81 2.04 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.53 7.81 10 D 7.39 4.62 0.00 2.56 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 11 G 5.38 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 5.10 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 0.81 0.00 0.00 1.02 0.00 0.00 13 I 8.81 4.69 1.83 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 0.83 0.00 0.00 14 L 8.62 5.07 0.00 1.44 1.58 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.04 4.35 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 0.00 0.00 0.00 16 A 8.36 5.71 1.20 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 17 D 8.55 4.76 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 18 S 8.35 4.89 0.00 3.99 4.03 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 19 R 8.67 5.08 0.00 1.80 2.03 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 20 T 8.94 4.80 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 21 T 8.67 5.15 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 1.18 0.00 0.00 22 T 8.77 4.47 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 1.28 0.00 0.00 23 G 8.37 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 0.00 0.00 0.00 24 A 8.64 4.47 1.32 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 0.00 0.00 0.00 25 Y 7.67 4.39 0.00 3.02 3.02 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 26 I 7.35 4.20 1.56 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 1.24 0.53 0.85 0.00 0.00 27 A 8.34 4.10 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 28 N 8.21 4.88 0.00 2.69 2.60 0.00 0.00 6.88 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 29 R 8.64 4.52 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 V 7.96 4.59 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 0.70 0.00 0.00 0.99 0.00 0.00 31 T 8.49 3.99 4.31 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 1.23 0.00 0.00 32 D 8.63 4.96 0.00 2.69 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 33 K 8.63 4.37 0.00 1.78 1.83 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.27 4.90 0.00 1.87 1.90 0.98 0.93 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 35 T 8.87 4.51 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 1.19 0.00 0.00 36 R 7.86 3.43 0.00 0.67 1.12 0.00 3.06 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 37 V 7.92 4.19 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 0.89 0.00 0.00 1.08 0.00 0.00 38 H 7.72 4.54 0.00 3.15 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.37 4.56 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.16 5.07 0.00 1.85 1.98 0.00 1.80 0.00 0.00 2.07 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.58 7.81 41 I 8.45 5.18 1.99 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 1.32 1.18 1.08 0.00 0.00 42 W 9.68 5.41 0.00 3.21 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 43 C 9.61 5.29 0.00 2.69 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 9.12 5.22 0.00 2.82 2.87 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 45 R 8.34 5.08 0.00 1.68 1.87 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.88 4.50 0.00 3.86 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 47 G 8.75 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 0.00 0.00 0.00 48 S 9.20 4.12 0.00 3.84 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 49 A 8.85 4.07 1.34 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 0.00 0.00 50 A 7.94 3.95 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 51 D 8.14 4.30 0.00 2.91 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 52 T 8.39 3.97 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 1.32 0.00 0.00 53 Q 8.28 3.98 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 54 A 8.03 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 55 I 8.09 3.63 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 1.07 0.00 0.00 56 A 8.57 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.32 0.00 2.90 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 58 I 7.74 3.76 1.98 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 1.34 0.59 1.01 0.00 0.00 59 V 7.89 3.41 1.60 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 0.56 0.00 0.00 -0.14 0.00 0.00 60 Q 8.43 4.05 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 61 Y 7.97 4.01 0.00 3.12 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 62 H 8.37 3.79 0.00 3.32 3.27 0.00 5.67 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 63 L 8.15 3.98 0.00 1.65 1.62 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.16 3.92 0.00 2.03 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 2.24 2.28 0.00 65 L 7.73 3.80 0.00 1.33 1.46 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.20 3.94 0.00 3.26 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 67 T 8.08 4.64 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 68 S 7.67 4.15 0.00 3.89 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 69 Q 7.07 4.10 0.00 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.06 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 70 Y 7.53 4.50 0.00 2.30 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 *72 G 7.51 4.27 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 0.00 73 T 8.55 4.30 4.31 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 1.27 0.00 0.00 74 P 0.00 4.38 0.00 1.71 1.20 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 75 S 8.06 4.45 0.00 4.03 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 76 T 8.21 3.90 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 1.26 0.00 0.00 77 E 8.12 4.00 0.00 2.00 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 2.35 2.39 0.00 78 T 8.08 3.80 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 0.83 0.00 0.00 79 A 7.76 3.97 1.41 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 0.00 0.00 80 A 8.18 4.13 1.41 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 0.00 0.00 81 S 8.04 4.02 0.00 4.02 4.03 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 82 V 7.79 3.51 1.95 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 0.80 0.00 0.00 0.88 0.00 0.00 83 F 8.19 4.04 0.00 3.41 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 84 K 8.53 4.00 0.00 1.84 2.10 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.58 7.81 85 E 8.63 4.01 0.00 2.31 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 0.00 2.33 2.46 0.00 86 L 8.00 4.01 0.00 2.00 1.74 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.22 4.25 0.00 3.05 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 88 Y 8.56 4.23 0.00 2.99 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 89 E 8.21 3.89 0.00 2.36 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 2.39 2.37 0.00 90 N 7.84 5.03 0.00 2.90 2.74 0.00 0.00 6.59 7.53 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 91 K 7.82 3.70 0.00 1.84 2.01 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.39 1.31 7.81 92 D 7.58 4.35 0.00 2.70 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 *94 N 7.83 5.03 0.00 2.73 2.88 0.00 0.00 7.04 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 95 L 7.73 5.09 0.00 1.58 1.52 0.99 0.87 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 96 T 8.91 4.73 4.25 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 1.22 0.00 0.00 97 A 8.29 4.96 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 98 G 9.35 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 0.00 0.00 0.00 99 I 8.29 5.02 1.70 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.35 0.00 0.00 100 I 8.36 4.34 1.84 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 1.08 0.64 0.89 0.00 0.00 101 V 8.31 4.66 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 0.82 0.00 0.00 0.56 0.00 0.00 102 A 9.20 4.85 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 0.00 103 G 8.59 4.57 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 0.00 104 Y 8.74 4.79 0.00 3.01 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 0.00 105 D 7.17 4.03 0.00 2.42 2.17 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 * Residues marked with a * may have inaccurate shift predictions.