NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 Y 4.6115 8.0033 121.6853 57.3811 39.9880 173.7797 26 Q 3.9754 7.2953 124.4851 51.2504 31.7023 173.0626 27 P 4.3889 0.0000 0.0000 60.6061 33.4727 173.7677 28 P 4.2817 0.0000 0.0000 62.6550 31.7387 177.5860 29 S 4.1629 8.7546 115.7988 61.0459 62.5838 175.0740 30 D 4.9297 8.2486 117.6567 52.8135 39.4763 174.7158 31 Y 4.5396 8.1017 117.1021 56.4241 39.9772 175.1157 32 K 4.6332 8.3158 124.5287 54.0253 34.9447 175.4375 33 Q 4.0292 8.6136 126.5765 56.3799 29.5629 175.5918 34 C 4.4112 8.5513 122.6449 59.0984 27.6986 173.5510 35 K 4.3802 8.3887 123.5125 56.5449 33.1895 176.4964 36 H 5.0684 7.6050 114.8024 54.5313 28.9591 174.4296 37 L 4.1142 7.7760 119.5149 54.4634 42.2276 178.5140 38 K 4.2569 8.4952 123.6441 55.9105 32.7810 177.1002 39 S 4.3888 8.3832 115.9832 58.2780 63.7276 173.4919 40 F 4.7728 8.4462 123.9154 55.8123 41.7678 173.5805 41 P 4.3961 0.0000 0.0000 61.5174 30.0318 176.5254 42 V 3.6967 8.3689 127.1728 66.6888 32.1103 178.2273 43 S 4.1323 8.2235 113.6690 61.4775 62.6288 176.0306 44 E 4.0672 7.6204 119.0803 58.1854 29.3748 178.1659 45 L 4.1849 7.6149 118.5721 57.2001 42.0052 178.3804 46 K 4.0645 7.6236 118.2671 58.7593 32.4545 177.7474 47 G 3.7353 7.9390 108.2768 45.2276 0.0000 173.7711 48 D 4.4824 8.8960 123.7254 57.4468 41.0412 177.9108 49 N 4.4330 8.1614 116.1800 55.5021 39.2903 174.7937 50 K 4.5246 7.4075 115.4119 54.6719 33.7603 175.4395 51 E 4.8770 8.4441 121.3461 54.4886 32.0570 175.0528 52 L 4.7581 9.4698 125.9853 53.7566 43.4774 175.3247 53 W 5.7519 9.2203 125.6039 55.1954 32.6010 174.1431 54 L 4.5772 8.4536 122.9428 53.0409 46.2260 174.8097 *56 K 4.3747 8.3513 120.3871 56.2772 33.1287 174.6678 57 V 4.8002 8.1968 125.9578 59.9609 34.8663 173.2062 58 P 4.3648 0.0000 0.0000 62.5393 31.7518 177.6712 59 A 4.0752 8.5475 124.7155 54.8822 18.4844 178.3657 60 N 4.5655 8.0859 111.2874 54.0567 37.9078 174.9922 61 I 3.9843 7.2806 121.3837 60.5727 37.9021 175.4270 62 D 4.6230 8.3938 125.5288 52.5796 40.2723 176.3270 63 I 3.7349 8.1888 128.2458 63.9998 37.4821 178.9314 64 S 4.1672 8.1738 113.7890 61.1834 62.7767 175.2880 65 Q 4.1814 7.7053 118.1915 57.0487 28.9065 176.0885 66 L 4.3911 7.5780 118.4080 54.0325 42.5017 176.7286 67 K 4.4332 8.5363 120.9012 57.0686 33.7265 176.7273 68 S 4.5682 7.6669 110.6101 56.5719 65.7659 173.6666 69 L 4.5347 8.2154 122.2427 52.5277 42.1011 175.5395 70 P 4.6281 0.0000 0.0000 62.2656 31.1807 177.3356 71 L 3.9367 7.6558 118.2218 55.7943 42.2959 176.7914 72 D 4.6940 8.6056 123.1987 53.1507 41.0395 176.6523 73 T 4.3459 8.6087 116.5903 62.9589 69.3605 174.8168 74 D 4.6054 7.9804 121.8862 55.7970 42.0279 177.2478 75 A 4.2277 7.2805 121.2590 52.4349 19.2362 177.3761 76 T 4.1630 8.5137 118.1882 65.4357 70.0864 175.0800 77 V 4.9140 7.6664 119.9038 61.2476 34.3437 174.9885 78 S 4.7900 8.9915 121.6115 57.7438 66.4136 172.4974 79 T 5.3719 8.4809 108.2661 60.4746 71.3933 173.6843 80 V 4.5831 8.6229 121.7590 60.1780 35.2505 173.7192 81 E 4.7070 8.8483 124.1962 55.1565 30.7861 175.4444 82 L 4.7218 8.2486 124.4101 53.8953 47.1873 176.8694 83 G 4.0775 9.6782 113.9073 46.4337 0.0000 174.8371 84 S 4.6885 9.0989 112.2791 57.4454 63.0121 172.2817 85 K 4.5962 8.8161 117.3163 54.2212 35.4201 175.2609 86 N 4.9878 8.1492 118.3299 52.1948 40.1013 174.0677 87 F 5.1536 8.4951 121.8908 55.5435 42.6398 174.7691 88 N 4.9966 9.2835 121.1871 53.0189 40.1742 174.2235 89 V 4.9174 8.7153 121.6576 61.0399 34.9197 173.9576 90 L 4.9494 8.9687 129.3592 53.4563 45.0705 175.5279 91 Q 3.9867 9.2291 129.2023 54.1796 27.8011 175.2847 92 N 4.1333 8.4859 121.8203 56.2305 38.9076 177.4093 93 T 4.2514 7.4319 104.5198 62.9408 68.7891 174.5932 94 S 4.4848 7.7885 117.8617 58.5697 63.2771 173.7008 95 T 4.5847 7.5272 111.3767 59.4351 70.8819 175.2837 96 Q 3.8012 8.3968 122.6753 58.7061 29.4412 177.1758 97 E 4.0673 7.9835 117.6206 58.6426 29.6607 177.7937 98 G 3.9962 7.8579 105.3895 45.1379 0.0000 175.2836 99 S 3.9737 7.5901 116.0569 59.9989 63.3425 173.9371 100 D 4.7147 7.8754 120.4385 52.6262 41.8242 175.0928 101 N 5.3195 8.5170 123.9235 52.1394 39.8789 175.9973 102 T 3.8442 7.8805 107.6375 62.8908 68.4236 174.6517 103 N 4.5307 8.0391 119.9017 53.9957 38.1891 174.2928 104 L 4.8970 8.0015 120.1577 53.1166 42.5590 175.7444 105 S 4.6955 8.5879 118.6320 56.1278 65.1341 173.0707 106 L 4.3573 8.2751 126.6566 54.1935 43.1437 174.7556 107 L 5.1276 8.4690 126.7938 53.0708 43.4201 175.9039 108 I 4.6277 8.5750 117.7616 58.0541 40.7932 173.0504 109 P 5.0274 0.0000 0.0000 62.4506 31.9245 176.3241 110 S 4.3265 8.5005 119.1089 58.0193 63.6060 175.3297 111 E 4.0206 8.7031 122.3851 59.0259 29.0988 178.3032 112 K 4.0288 7.1292 119.3207 57.6755 32.7158 177.4100 113 K 4.4125 7.9127 125.5037 54.9948 33.9638 177.2796 114 K 4.7713 8.2794 130.1040 56.0978 31.0122 178.0059 115 E 4.5632 7.8246 116.6683 55.3998 32.1884 174.7281 116 T 4.8106 7.8654 107.7179 59.7670 72.1401 173.0548 117 L 5.0708 8.4980 122.1168 53.1800 44.9363 175.6923 118 K 4.7250 8.6903 119.4463 54.3425 37.0400 175.8658 119 V 4.1304 8.3092 122.0480 62.7385 32.4380 175.4944 120 A 4.3174 8.8462 130.7503 52.1307 19.1290 176.7218 121 T 4.7571 8.3985 112.0015 59.7636 72.3711 173.6598 122 S 4.7851 7.9479 116.9119 56.5590 65.5623 174.4778 123 K 4.0791 8.4460 118.0538 59.9056 32.6770 177.4568 124 D 4.4189 7.8427 117.3526 54.5095 41.0329 176.8808 125 N 4.2677 7.7087 114.5621 53.5944 36.9356 173.5816 126 K 4.5195 7.2858 116.3844 54.0930 33.9241 176.0716 127 S 3.9907 8.4513 117.2184 57.9081 63.2332 174.6192 128 V 3.4823 7.9792 123.5229 63.4349 31.7294 174.7014 129 Y 5.0179 8.0623 123.6632 55.8419 41.6713 175.3592 130 F 4.5366 8.7906 120.8059 57.8834 39.7675 175.5155 131 D 4.7522 9.5532 126.4804 56.8556 41.4840 177.1966 132 R 4.5743 8.1736 115.4115 54.1937 34.9051 174.7305 133 V 4.7284 8.0959 121.2260 61.2760 34.5496 174.1188 134 F 5.1736 9.3883 126.7524 55.9191 42.0417 174.9729 135 T 4.8358 8.9820 118.6616 61.8947 71.7959 172.8169 136 I 5.0040 8.9947 128.2478 59.6089 38.8742 175.3481 137 S 4.9763 9.0458 121.3921 56.2528 66.5160 173.6338 138 E 4.4097 8.8989 120.7153 56.4523 30.1185 176.7961 139 T 4.2980 7.5526 112.0044 60.7925 70.1614 174.5431 140 A 4.0738 8.5089 126.3428 52.5008 18.9241 177.2367 141 R 4.7382 8.2222 117.6929 54.6091 32.8159 175.5331 142 I 4.3396 7.8093 119.9358 58.6621 36.7339 174.2786 143 P 4.4142 0.0000 0.0000 62.5669 31.1092 176.5349 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 25 Y 8.00 4.61 0.00 2.98 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 26 Q 7.30 3.98 0.00 1.85 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 27 P 0.00 4.39 0.00 2.24 2.20 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 28 P 0.00 4.28 0.00 2.40 2.06 0.00 3.41 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.89 0.00 29 S 8.75 4.16 0.00 3.98 4.05 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 30 D 8.25 4.93 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.10 4.54 0.00 3.10 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 32 K 8.32 4.63 0.00 1.67 1.64 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 33 Q 8.61 4.03 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 34 C 8.55 4.41 0.00 3.01 2.90 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 35 K 8.39 4.38 0.00 1.52 1.71 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.40 7.81 36 H 7.60 5.07 0.00 3.12 3.20 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.78 4.11 0.00 1.81 1.65 0.97 0.83 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 38 K 8.50 4.26 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.40 7.81 39 S 8.38 4.39 0.00 4.00 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 40 F 8.45 4.77 0.00 2.90 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 41 P 0.00 4.40 0.00 2.12 2.05 0.00 2.75 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 42 V 8.37 3.70 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 1.03 0.00 0.00 1.06 0.00 0.00 43 S 8.22 4.13 0.00 4.00 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 44 E 7.62 4.07 0.00 1.95 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 2.27 2.18 0.00 45 L 7.61 4.18 0.00 1.89 1.72 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.62 4.06 0.00 1.82 1.82 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 47 G 7.94 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 48 D 8.90 4.48 0.00 2.68 2.79 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 49 N 8.16 4.43 0.00 2.65 2.83 0.00 0.00 6.91 6.68 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 50 K 7.41 4.52 0.00 1.96 1.65 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.48 7.81 51 E 8.44 4.88 0.00 1.98 2.21 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 2.39 2.38 0.00 52 L 9.47 4.76 0.00 1.83 1.65 1.12 0.38 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 53 W 9.22 5.75 0.00 3.28 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 54 L 8.45 4.58 0.00 0.27 0.94 0.65 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 *56 K 8.35 4.37 0.00 1.88 1.72 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 57 V 8.20 4.80 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 0.79 0.00 0.00 0.88 0.00 0.00 58 P 0.00 4.36 0.00 2.44 2.06 0.00 3.48 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 59 A 8.55 4.08 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.09 4.57 0.00 2.87 2.99 0.00 0.00 6.04 7.81 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 61 I 7.28 3.98 1.74 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.42 0.77 0.00 0.00 62 D 8.39 4.62 0.00 2.75 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 63 I 8.19 3.73 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.99 0.90 0.00 0.00 64 S 8.17 4.17 0.00 3.97 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 65 Q 7.71 4.18 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 66 L 7.58 4.39 0.00 1.78 1.56 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.54 4.43 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 68 S 7.67 4.57 0.00 3.90 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 69 L 8.22 4.53 0.00 1.61 1.61 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.63 0.00 2.17 2.13 0.00 3.50 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 71 L 7.66 3.94 0.00 1.52 1.36 0.30 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.61 4.69 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.35 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 74 D 7.98 4.61 0.00 2.68 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 75 A 7.28 4.23 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 76 T 8.51 4.16 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 1.15 0.00 0.00 77 V 7.67 4.91 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 0.84 0.00 0.00 0.92 0.00 0.00 78 S 8.99 4.79 0.00 3.91 3.97 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 79 T 8.48 5.37 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 1.23 0.00 0.00 80 V 8.62 4.58 2.12 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 0.78 0.00 0.00 0.96 0.00 0.00 81 E 8.85 4.71 0.00 1.99 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 2.28 2.38 0.00 82 L 8.25 4.72 0.00 1.72 1.42 0.42 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.68 4.08 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 0.00 0.00 0.00 84 S 9.10 4.69 0.00 3.80 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 85 K 8.82 4.60 0.00 2.02 1.38 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.33 1.43 7.81 86 N 8.15 4.99 0.00 2.49 2.62 0.00 0.00 6.64 8.13 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 87 F 8.50 5.15 0.00 2.98 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 88 N 9.28 5.00 0.00 2.68 2.76 0.00 0.00 6.10 7.97 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 89 V 8.72 4.92 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 1.17 0.00 0.00 0.99 0.00 0.00 90 L 8.97 4.95 0.00 1.74 1.46 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 9.23 3.99 0.00 1.90 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.47 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 92 N 8.49 4.13 0.00 2.83 2.78 0.00 0.00 6.69 8.19 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 93 T 7.43 4.25 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 1.18 0.00 0.00 94 S 7.79 4.48 0.00 3.91 3.85 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 95 T 7.53 4.58 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 1.19 0.00 0.00 96 Q 8.40 3.80 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.13 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 97 E 7.98 4.07 0.00 1.89 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 2.32 2.27 0.00 98 G 7.86 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 99 S 7.59 3.97 0.00 4.00 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 0.00 100 D 7.88 4.71 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.52 5.32 0.00 2.82 2.86 0.00 0.00 7.37 7.05 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 0.00 102 T 7.88 3.84 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 0.48 0.00 0.00 103 N 8.04 4.53 0.00 2.91 3.11 0.00 0.00 6.15 6.67 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 0.00 104 L 8.00 4.90 0.00 2.03 1.92 1.00 0.75 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 0.00 105 S 8.59 4.70 0.00 3.93 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 0.00 106 L 8.28 4.36 0.00 1.60 1.41 0.83 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.47 5.13 0.00 1.52 1.54 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.57 4.63 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 0.75 0.00 0.00 109 P 0.00 5.03 0.00 2.12 2.11 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 110 S 8.50 4.33 0.00 3.99 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 0.00 111 E 8.70 4.02 0.00 1.99 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 2.33 2.35 0.00 112 K 7.13 4.03 0.00 1.80 1.80 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.38 7.81 113 K 7.91 4.41 0.00 1.74 1.93 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.37 7.81 114 K 8.28 4.77 0.00 1.87 2.02 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.68 7.81 115 E 7.82 4.56 0.00 1.87 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 2.18 2.26 0.00 116 T 7.87 4.81 4.23 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 1.21 0.00 0.00 117 L 8.50 5.07 0.00 1.49 1.56 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.69 4.73 0.00 1.64 1.61 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81 119 V 8.31 4.13 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 0.68 0.00 0.00 0.90 0.00 0.00 120 A 8.85 4.32 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 0.00 121 T 8.40 4.76 4.18 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 0.00 0.00 0.00 1.14 0.00 0.00 122 S 7.95 4.79 0.00 3.98 4.01 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 0.00 123 K 8.45 4.08 0.00 1.88 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.45 7.81 124 D 7.84 4.42 0.00 2.76 2.74 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 0.00 125 N 7.71 4.27 0.00 2.83 2.88 0.00 0.00 6.83 8.82 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 0.00 126 K 7.29 4.52 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.51 7.81 127 S 8.45 3.99 0.00 3.64 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 0.00 128 V 7.98 3.48 1.98 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 0.59 0.00 0.00 0.85 0.00 0.00 129 Y 8.06 5.02 0.00 2.87 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 0.00 130 F 8.79 4.54 0.00 3.15 3.25 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 0.00 131 D 9.55 4.75 0.00 2.94 2.90 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 0.00 132 R 8.17 4.57 0.00 1.08 1.02 0.00 2.76 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.50 0.00 133 V 8.10 4.73 1.93 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 0.84 0.00 0.00 0.84 0.00 0.00 134 F 9.39 5.17 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.98 4.84 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 1.27 0.00 0.00 136 I 8.99 5.00 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.78 0.00 0.00 137 S 9.05 4.98 0.00 3.90 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 0.00 138 E 8.90 4.41 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 2.35 2.51 0.00 139 T 7.55 4.30 4.18 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 0.00 0.00 0.00 1.25 0.00 0.00 140 A 8.51 4.07 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 0.00 141 R 8.22 4.74 0.00 1.84 1.82 0.00 2.96 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 142 I 7.81 4.34 1.86 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 0.92 0.90 0.00 0.00 143 P 0.00 4.41 0.00 2.03 1.96 0.00 3.70 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 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.