NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.8848 8.3544 109.7373 45.2674 0.0000 174.4495 5 S 4.3249 8.2920 113.3748 55.5581 64.0176 172.0479 6 S 4.8899 7.8990 115.1780 56.2442 65.4577 174.4561 7 G 4.0408 7.6548 109.6406 45.4494 0.0000 171.3288 8 P 5.0627 0.0000 0.0000 62.8316 32.6588 175.8908 9 S 4.6488 8.8752 115.3911 56.8469 66.2597 172.9585 10 Q 4.4640 9.3332 127.1390 55.3568 29.3386 175.0240 11 V 4.4305 8.8962 126.2520 61.1125 33.3622 174.6864 12 A 4.8737 8.8328 132.0058 50.8517 20.1182 175.6750 13 F 4.9901 9.2487 122.4062 57.2956 40.7242 175.3017 14 E 5.4156 9.4912 122.9339 54.7770 33.4495 174.7224 15 I 4.8464 8.6088 122.2295 59.7065 42.1439 173.5480 16 R 5.1003 8.9079 124.9538 54.0342 33.6994 175.1742 17 G 4.5778 8.3931 109.6417 46.6125 0.0000 172.3117 18 T 4.5855 8.5750 110.7051 60.6647 70.0889 174.2825 19 L 4.6116 7.9651 122.5794 52.6642 45.7428 176.4128 20 L 4.2894 8.2408 120.6166 53.3306 42.5204 174.8867 21 P 4.4129 0.0000 0.0000 64.5272 31.4741 177.3674 22 G 4.0358 9.0111 111.1742 45.3838 0.0000 173.2281 23 E 4.5824 7.8088 120.2540 56.3726 30.5432 176.0857 24 V 3.6821 8.2361 116.4901 59.3611 36.7550 174.6124 25 F 4.8406 6.7173 119.7613 56.8237 40.8962 174.8264 26 A 4.9140 8.5724 121.8989 50.4804 23.1364 174.7251 27 I 4.9043 8.6983 119.6180 59.3358 41.2319 174.0714 28 C 5.1602 9.0668 128.1624 58.2656 35.4184 173.1799 29 G 2.7645 8.3984 112.0805 45.1935 0.0000 173.3630 30 S 4.5141 7.9733 116.9611 58.5527 63.8023 173.3546 31 C 4.8601 7.3432 114.9712 56.3839 33.3046 174.3263 32 D 4.4316 8.8746 118.3782 57.6528 40.2964 179.4764 33 A 4.0383 7.9770 119.5068 54.3920 18.6640 177.8337 34 L 4.2747 7.8276 114.0976 54.3995 42.3369 177.8366 35 G 3.8405 7.8353 107.7051 44.5533 0.0000 173.5008 36 N 4.2007 8.5892 115.0870 54.2561 36.5623 174.6341 37 W 3.8454 7.8481 111.8262 57.5220 27.8541 174.2245 38 N 4.9179 8.0396 118.3510 51.2556 38.7726 173.6920 39 P 4.5202 0.0000 0.0000 65.7448 31.6445 178.9286 40 Q 3.9621 8.3125 116.5075 58.2840 28.6492 176.9513 41 N 4.8651 8.2761 113.2985 52.7717 38.8507 174.6829 42 A 4.4438 7.8217 120.6995 52.1381 19.7297 177.8296 43 V 4.3038 8.6683 119.7893 61.0667 33.1430 175.0774 44 A 4.1981 8.3312 130.5209 51.7023 18.7156 177.0105 45 L 4.5152 8.7693 122.9131 54.5901 43.0845 176.3439 46 L 4.8967 8.9120 121.3660 52.1223 44.4139 174.4151 47 P 3.6780 0.0000 0.0000 62.3692 31.9379 175.1783 48 E 4.5974 8.6807 124.0866 53.3954 32.4240 175.8553 49 N 4.7072 8.3195 124.9367 52.6358 37.2613 173.0356 50 D 4.7246 7.2105 117.1926 55.8128 44.9578 177.2909 51 T 4.4703 8.7152 116.5794 66.1066 69.8369 176.1355 52 G 3.7172 7.8213 111.6761 47.4336 0.0000 174.9261 *54 S 4.4927 7.7399 113.5062 57.7492 63.2334 172.6739 *56 L 4.2691 7.9388 127.0249 54.6991 43.7223 175.0491 57 W 5.1944 8.9686 123.7986 54.8547 32.4569 174.5955 58 K 5.3624 9.4055 124.4481 54.8703 35.8616 174.6259 59 A 5.0218 9.0916 127.1546 50.5764 22.4632 174.7637 60 T 5.0498 8.6815 119.0163 62.0089 70.5253 174.2579 61 I 4.6776 8.8268 126.7224 59.3836 41.6396 174.7732 62 V 4.5380 8.4766 126.1835 62.4263 31.9717 174.8437 63 L 4.9666 8.8662 127.3575 52.8275 45.9214 175.6450 64 S 4.9269 8.3772 115.8894 57.6454 64.0281 174.7692 65 R 4.2526 9.1054 124.1963 57.4894 30.3725 178.0794 66 G 3.9933 8.8732 109.3555 45.3437 0.0000 173.2818 67 V 4.5149 7.0510 119.7773 60.7542 33.3133 175.3317 68 S 4.7738 8.7923 123.0025 58.3120 64.2278 173.8519 69 V 4.6418 8.9434 115.7775 59.7793 35.2574 174.5939 70 Q 5.3782 8.7760 122.7095 54.9375 31.8437 174.1251 71 Y 4.9642 8.5168 118.8972 56.6304 41.9799 173.1875 72 R 5.0990 9.3948 118.1494 55.0259 35.2034 174.0165 73 Y 5.5519 8.7900 118.2541 56.8621 40.8309 174.6906 74 F 5.8774 8.9462 116.3911 55.3904 42.1903 173.1365 75 K 4.7239 8.9350 119.3189 55.3723 35.3253 176.1213 76 G 3.6216 7.7295 106.9144 46.8292 0.0000 170.7468 77 Y 5.5301 7.9013 117.2177 56.3692 40.7250 175.3819 78 F 5.0083 9.1404 122.3769 55.9841 40.6371 175.2392 79 L 4.5279 9.1728 124.9817 53.3376 43.4459 176.4224 80 E 4.2768 8.6255 122.6083 55.4075 30.4994 174.9035 81 P 4.5695 0.0000 0.0000 62.2178 32.0283 176.8685 82 K 4.1392 8.8434 122.7426 58.7503 32.5035 177.4067 83 T 4.6026 7.6102 109.9505 59.6429 71.1652 174.1378 84 I 3.7922 8.1706 121.1852 61.7347 35.6474 177.3476 85 G 3.9892 9.0363 114.0418 44.2691 0.0000 173.4616 86 G 3.8418 7.8300 108.8886 44.4785 0.0000 171.3615 87 P 4.6469 0.0000 0.0000 61.9784 33.2458 175.0426 88 C 4.4026 8.5062 121.9528 59.0345 32.3129 172.4038 89 Q 4.5325 8.7121 127.4989 55.1882 30.4899 173.9941 90 V 4.4314 8.6492 126.2941 61.0138 33.7378 174.6651 91 I 4.2884 8.4925 128.9933 59.2201 39.4826 175.0744 92 V 3.5005 8.0420 128.0454 63.2168 31.3229 175.1400 93 H 4.7602 8.9288 125.1236 57.2538 30.5427 175.8142 94 K 4.5535 7.5150 118.4996 55.1237 35.3613 175.1656 95 W 4.9032 9.0991 127.8712 56.1974 30.0490 175.7769 96 E 3.1390 9.3481 124.9198 56.6877 29.4858 178.2758 97 T 4.2147 7.8577 123.8166 62.5752 66.8168 173.6548 98 H 4.5829 7.6159 119.5394 54.2859 31.8605 172.6586 99 L 4.0614 8.5590 127.4458 57.7675 41.7022 178.4493 100 Q 4.1761 7.6198 116.0234 54.4981 29.4672 174.1025 101 P 4.4151 0.0000 0.0000 62.8802 32.0617 176.6137 102 R 4.0652 8.3876 122.4016 56.4938 31.3818 175.7363 103 S 5.2881 8.2366 115.6231 57.1634 65.4433 173.0889 104 I 4.8997 9.0936 119.6587 59.5190 41.5012 174.4166 105 T 4.9495 8.3857 119.4680 61.0980 70.9937 172.1836 106 P 4.4073 0.0000 0.0000 62.6848 32.2180 177.2018 107 L 4.7270 8.6926 121.6267 54.4016 42.6237 175.5087 108 E 4.8137 7.6093 117.6417 54.1567 33.8810 176.1373 109 S 4.5691 8.4942 113.9402 61.0600 64.3092 173.9573 110 E 5.2016 7.6564 117.0005 54.7700 33.0401 174.9478 111 I 4.7017 8.7692 117.3966 59.1573 41.7457 174.0452 112 I 4.6884 8.2813 123.9667 59.8010 39.2748 175.3165 113 I 4.1077 8.7773 129.2959 59.9266 38.1521 174.5523 114 D 4.8800 8.5382 128.1570 52.9931 40.8773 175.2365 115 D 4.6952 9.2725 125.3209 53.5447 41.7803 178.1722 116 G 3.9326 8.9358 112.8597 46.4737 0.0000 176.6537 117 Q 4.9740 8.7087 119.6512 53.4688 31.0930 174.9869 118 F 3.9890 9.4765 126.3430 61.2024 39.5387 176.1131 119 G 3.9953 7.9903 107.2023 45.0504 0.0000 173.4131 120 I 4.0012 8.1432 119.1758 61.3805 37.2867 176.2135 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 4 G 8.35 3.88 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 0.00 0.00 0.00 5 S 8.29 4.32 0.00 3.92 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 6 S 7.90 4.89 0.00 3.96 3.88 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 7 G 7.65 4.04 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 0.00 0.00 0.00 8 P 0.00 5.06 0.00 2.08 2.06 0.00 3.71 0.00 0.00 3.58 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 9 S 8.88 4.65 0.00 3.89 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 10 Q 9.33 4.46 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 11 V 8.90 4.43 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 0.20 0.00 0.00 0.88 0.00 0.00 12 A 8.83 4.87 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 13 F 9.25 4.99 0.00 2.99 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 14 E 9.49 5.42 0.00 1.89 1.82 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 2.25 2.25 0.00 15 I 8.61 4.85 0.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.82 0.12 0.00 0.00 16 R 8.91 5.10 0.00 1.95 1.83 0.00 3.30 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 17 G 8.39 4.58 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 0.00 0.00 0.00 18 T 8.58 4.59 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 1.28 0.00 0.00 19 L 7.97 4.61 0.00 1.44 1.27 -0.44 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.24 4.29 0.00 1.77 1.58 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.41 0.00 2.08 2.04 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 22 G 9.01 4.04 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 0.00 0.00 0.00 23 E 7.81 4.58 0.00 2.11 1.65 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 2.03 2.23 0.00 24 V 8.24 3.68 1.87 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 0.76 0.00 0.00 0.79 0.00 0.00 25 F 6.72 4.84 0.00 2.51 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 26 A 8.57 4.91 0.60 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.70 4.90 1.69 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 0.64 1.40 0.69 0.00 0.00 28 C 9.07 5.16 0.00 3.49 3.32 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 29 G 8.40 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 0.00 0.00 0.00 30 S 7.97 4.51 0.00 4.00 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 31 C 7.34 4.86 0.00 3.03 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 32 D 8.87 4.43 0.00 2.72 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 33 A 7.98 4.04 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 34 L 7.83 4.27 0.00 1.46 1.51 0.68 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.84 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 36 N 8.59 4.20 0.00 2.87 2.92 0.00 0.00 6.92 7.29 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 37 W 7.85 3.85 0.00 3.48 3.21 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 38 N 8.04 4.92 0.00 2.81 2.90 0.00 0.00 7.21 7.01 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 39 P 0.00 4.52 0.00 2.06 1.56 0.00 3.75 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 40 Q 8.31 3.96 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.16 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 41 N 8.28 4.87 0.00 2.82 2.85 0.00 0.00 6.97 6.89 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 42 A 7.82 4.44 1.65 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 43 V 8.67 4.30 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 0.98 0.00 0.00 0.95 0.00 0.00 44 A 8.33 4.20 0.21 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 45 L 8.77 4.52 0.00 1.90 2.00 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.91 4.90 0.00 1.46 1.43 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 3.68 0.00 1.45 0.49 0.00 3.41 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 48 E 8.68 4.60 0.00 1.78 1.70 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 2.25 2.14 0.00 49 N 8.32 4.71 0.00 2.82 2.80 0.00 0.00 5.90 8.06 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 50 D 7.21 4.72 0.00 2.59 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 51 T 8.72 4.47 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 1.25 0.00 0.00 52 G 7.82 3.72 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 0.00 0.00 0.00 *54 S 7.74 4.49 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.27 0.00 1.94 1.59 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.97 5.19 0.00 3.46 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 58 K 9.41 5.36 0.00 1.79 1.59 0.00 1.58 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.60 7.81 59 A 9.09 5.02 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 60 T 8.68 5.05 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 1.21 0.00 0.00 61 I 8.83 4.68 2.02 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 1.14 0.79 0.93 0.00 0.00 62 V 8.48 4.54 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 0.78 0.00 0.00 0.93 0.00 0.00 63 L 8.87 4.97 0.00 1.60 1.54 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.38 4.93 0.00 3.79 3.78 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 65 R 9.11 4.25 0.00 1.89 1.85 0.00 3.28 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 66 G 8.87 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 67 V 7.05 4.51 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 0.85 0.00 0.00 0.99 0.00 0.00 68 S 8.79 4.77 0.00 3.98 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 69 V 8.94 4.64 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 1.06 0.00 0.00 70 Q 8.78 5.38 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 71 Y 8.52 4.96 0.00 2.80 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 72 R 9.39 5.10 0.00 2.38 2.34 0.00 2.93 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 73 Y 8.79 5.55 0.00 3.17 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 74 F 8.95 5.88 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.94 4.72 0.00 1.28 1.25 0.00 1.30 0.00 0.00 1.34 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.28 7.81 76 G 7.73 3.62 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 0.00 0.00 0.00 77 Y 7.90 5.53 0.00 2.83 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 78 F 9.14 5.01 0.00 2.85 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 79 L 9.17 4.53 0.00 1.56 1.56 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.63 4.28 0.00 1.96 1.84 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 2.29 2.41 0.00 81 P 0.00 4.57 0.00 2.09 2.03 0.00 3.80 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 82 K 8.84 4.14 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 83 T 7.61 4.60 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 84 I 8.17 3.79 1.87 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 1.35 0.69 0.91 0.00 0.00 85 G 9.04 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 86 G 7.83 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 87 P 0.00 4.65 0.00 2.14 2.19 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 88 C 8.51 4.40 0.00 3.08 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 89 Q 8.71 4.53 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 90 V 8.65 4.43 1.85 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 0.40 0.00 0.00 0.10 0.00 0.00 91 I 8.49 4.29 1.83 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 1.09 0.57 0.84 0.00 0.00 92 V 8.04 3.50 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 93 H 8.93 4.76 0.00 3.00 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.51 4.55 0.00 1.89 1.80 0.00 1.85 0.00 0.00 2.11 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.61 7.81 95 W 9.10 4.90 0.00 3.30 3.26 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 96 E 9.35 3.14 0.00 1.89 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 1.97 1.47 0.00 97 T 7.86 4.21 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 1.21 0.00 0.00 98 H 7.62 4.58 0.00 2.95 3.15 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.56 4.06 0.00 1.59 1.64 0.87 0.95 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 0.00 100 Q 7.62 4.18 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 101 P 0.00 4.42 0.00 1.99 2.16 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 102 R 8.39 4.07 0.00 0.67 1.19 0.00 2.94 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 103 S 8.24 5.29 0.00 3.86 3.72 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 0.00 104 I 9.09 4.90 1.96 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 1.49 0.80 1.18 0.00 0.00 105 T 8.39 4.95 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 1.24 0.00 0.00 106 P 0.00 4.41 0.00 2.06 1.93 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 107 L 8.69 4.73 0.00 1.58 1.65 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.61 4.81 0.00 1.90 1.77 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 2.27 2.20 0.00 109 S 8.49 4.57 0.00 3.88 4.11 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 0.00 0.00 0.00 0.00 110 E 7.66 5.20 0.00 1.79 1.82 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 2.22 2.23 0.00 111 I 8.77 4.70 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.05 0.87 0.00 0.00 112 I 8.28 4.69 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.94 0.00 0.00 113 I 8.78 4.11 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.51 1.14 0.00 0.00 114 D 8.54 4.88 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.27 4.70 0.00 2.91 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 0.00 116 G 8.94 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 0.00 117 Q 8.71 4.97 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 118 F 9.48 3.99 0.00 2.34 2.94 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 0.00 119 G 7.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.14 4.00 1.89 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 1.27 0.60 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.