NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9287 8.3549 109.7268 45.5893 0.0000 175.0361 17 I 3.6130 7.1783 122.7562 62.7323 37.9234 176.0282 18 T 3.9325 7.8568 116.3229 63.3533 69.9332 174.2263 19 G 3.6426 7.7336 112.7581 44.6511 0.0000 171.2247 20 T 4.6222 7.4936 116.7834 61.8080 70.0842 174.7513 21 W 4.9603 8.2282 124.5817 54.9740 33.6788 173.7897 22 Y 5.4319 9.2064 120.2066 56.6086 41.2719 175.4196 23 N 5.4089 8.8397 120.4270 51.0076 39.8226 174.3591 24 Q 4.4646 8.5648 114.6427 56.9342 29.3559 175.6540 25 L 4.6743 7.9541 118.4857 54.7312 42.3104 176.0051 26 G 3.8973 8.3855 104.0395 47.2658 0.0000 174.2606 27 S 5.1032 8.9216 114.4890 56.6517 66.7163 173.8810 28 T 4.9735 8.7386 118.8381 61.6293 72.1889 172.9518 29 F 5.1733 8.9918 121.1209 55.0064 41.0920 173.7258 30 I 4.8334 9.0101 124.6215 59.3441 39.5076 175.0750 31 V 4.8549 8.4436 125.6835 60.2883 35.4915 174.2310 32 T 4.6899 8.7425 119.8614 61.8237 70.8009 173.3481 33 A 4.3176 8.7012 130.2989 50.3195 19.1566 177.2897 34 G 3.8010 9.4194 111.4304 45.6398 0.0000 173.7480 35 A 4.0810 8.5685 123.7149 54.8542 18.5068 178.4471 36 D 4.5056 8.0603 112.8616 53.7560 39.9179 177.1948 37 G 3.4041 8.4033 109.0118 44.9713 0.0000 173.1821 38 A 4.8675 8.0533 121.6724 51.4718 20.2647 176.7160 39 L 5.2645 9.1054 121.4192 53.1536 44.6360 175.9304 40 T 4.8849 8.8677 113.1064 59.7606 72.7098 174.5353 41 G 4.1997 7.1944 107.9744 46.5954 0.0000 171.2045 42 T 5.0746 8.1750 116.5656 61.9174 73.1157 172.8291 43 Y 4.9499 9.0506 126.8751 56.1838 40.9828 174.5924 44 E 4.6308 9.5239 129.4192 55.4900 29.0444 177.6098 45 S 4.4167 9.5231 119.5359 61.0917 63.0806 176.3546 *52 S 4.5241 7.5880 116.5498 57.6147 65.8112 171.2589 53 R 5.1640 8.4331 118.0399 55.3094 31.5472 175.6807 54 Y 4.8191 8.7360 120.5491 55.8319 42.3019 175.0581 55 V 4.2678 8.5932 122.9490 62.8505 32.5428 175.0522 56 L 5.1370 8.7037 127.3917 54.5984 43.7269 175.0759 57 T 4.9277 8.3735 113.6039 61.5713 71.5182 173.1526 58 G 4.7881 8.5017 112.3278 47.2054 0.0000 172.0219 59 R 5.5985 8.4091 116.9576 54.8925 34.7302 174.0468 60 Y 5.3092 8.5582 118.6894 55.2198 41.9293 174.3396 61 D 4.3884 9.2717 121.2705 54.0970 41.8118 176.4106 62 S 4.3783 8.3294 119.9962 58.4471 63.8417 174.9917 63 A 4.6614 8.2133 123.4688 50.7512 19.1783 173.7399 64 P 4.9904 0.0000 0.0000 60.7104 32.9365 176.9936 65 A 4.2782 8.3313 121.5867 52.5208 18.8812 177.4442 66 T 4.7153 8.2652 109.1938 61.7983 69.1797 174.4040 67 D 4.8088 8.5108 117.5911 54.2292 39.8884 176.9516 68 G 3.9896 8.3131 108.7879 45.7425 0.0000 174.5590 69 S 4.2784 8.0088 115.3311 58.5006 63.3265 173.8647 70 G 4.0436 8.2605 109.8670 45.7560 0.0000 173.0346 71 T 4.7241 8.6615 116.4745 61.8660 69.6354 175.0815 72 A 4.8791 8.6661 129.4114 52.2507 19.8838 175.8318 73 L 5.0171 9.0581 120.1043 55.4808 44.6090 174.0976 74 G 4.6771 9.1987 105.4656 45.5558 0.0000 171.9930 75 W 5.7316 8.8770 117.5055 55.6256 32.3701 173.3860 76 T 5.1774 9.3260 116.9404 61.7927 72.0753 173.3138 77 V 4.3498 8.8380 125.1902 60.8882 34.2192 173.9102 78 A 4.4727 8.2597 129.9171 49.7587 20.0306 177.8701 79 W 4.1376 8.3859 126.2583 55.6774 28.3462 176.2769 80 K 5.3501 7.6782 118.2052 54.7068 35.3293 174.6942 81 N 4.9400 8.8928 121.9845 52.0494 39.6292 174.2365 82 N 4.2640 8.2642 114.2710 54.8124 38.7971 174.9565 83 Y 4.8220 7.5454 114.9098 57.9784 40.4608 175.3680 84 R 4.5332 7.7059 114.6764 55.8513 32.4126 173.6156 85 N 5.2023 8.4811 116.6919 53.0481 40.8293 173.6679 86 A 4.2248 8.9420 128.5435 52.0115 19.5870 176.5475 87 H 4.1507 8.7244 114.4376 56.0469 26.8912 173.2021 88 S 5.2163 7.3597 112.4519 57.6449 67.1905 174.6319 89 A 4.9808 9.0688 121.5184 50.8794 22.6556 175.1813 90 T 4.8993 8.8619 119.5219 61.7390 71.5265 173.5459 91 T 4.8867 8.4715 115.8658 59.5957 71.7384 172.7426 92 W 4.9987 9.0575 125.2800 54.7658 31.7176 174.7073 93 S 4.8825 8.6469 119.3332 56.7013 64.8452 173.0153 94 G 4.5722 8.6944 113.2169 46.7283 0.0000 171.6034 95 Q 5.3080 8.4041 118.2852 54.9373 32.6584 173.8398 96 Y 4.8491 9.0010 123.3185 57.2240 40.7507 174.3151 97 V 4.2207 8.3809 125.5572 61.1539 34.5804 175.6679 98 G 3.4850 7.9266 118.5559 44.0608 0.0000 169.7648 99 G 3.7114 8.7405 104.1517 44.0937 0.0000 173.0074 100 A 4.0929 8.7234 120.6840 55.1288 18.7654 178.9306 101 E 4.4646 7.7313 115.1541 54.8269 28.2915 175.4430 102 A 4.5098 7.6901 121.5375 52.2569 19.8039 178.0201 103 R 5.3022 9.3808 119.8492 54.9355 35.7385 174.2563 104 I 4.9406 9.0275 122.4838 59.9160 39.7921 174.3338 105 N 5.4971 9.2975 126.2212 52.0953 40.3679 174.6489 106 T 5.3612 9.3154 113.4288 60.0862 72.9652 172.7025 107 Q 5.2551 9.0611 120.9700 53.9133 32.6032 174.6872 108 W 5.4651 8.5127 118.4614 54.7248 32.5122 173.8302 109 L 5.2535 8.7111 119.4009 52.9430 45.1567 175.3571 110 L 5.0047 9.6198 126.4040 53.7104 44.4881 174.8968 111 T 5.0439 8.8274 123.6929 62.0101 70.9370 173.8458 112 S 5.2031 8.5873 122.7148 56.7109 65.1503 174.3303 113 G 3.9109 8.9278 111.6596 46.4368 0.0000 173.2571 114 T 4.8316 8.3868 114.6387 59.4201 72.3274 173.5057 115 T 4.4141 8.0499 112.1166 61.4304 69.5200 175.0459 116 E 4.2153 8.5399 120.1691 57.6519 29.7993 178.2358 117 A 4.1198 7.5442 122.2442 54.4407 18.7688 178.2036 118 N 4.8465 7.9984 110.5567 53.0400 38.9175 176.5137 119 A 4.4022 8.0392 121.3599 53.8319 18.5724 179.0659 120 A 4.2511 7.9439 117.6313 53.3583 18.8714 177.9376 121 K 4.6424 7.7290 115.5243 56.5075 33.1645 177.5482 122 S 4.4434 8.0874 116.1924 61.0149 64.7167 173.3304 123 T 5.1361 7.8572 116.8208 61.7136 70.8130 173.5480 124 L 4.8242 9.3795 127.3457 53.2586 44.1763 175.9774 125 V 4.4578 7.8130 120.5568 60.3435 34.5129 174.9589 126 G 2.8655 6.6819 107.7109 45.7643 0.0000 171.3184 127 H 5.3575 8.0033 113.6025 54.3860 31.8685 172.6937 128 D 4.9763 9.3329 118.5638 53.4631 45.9141 174.3025 129 T 5.1630 8.6243 118.7794 61.8663 71.6987 172.8572 130 F 5.5916 9.3538 124.7339 56.2623 42.1090 174.8585 131 T 5.4576 9.3891 118.4998 61.8688 72.6130 175.0123 132 K 3.6309 8.8367 120.9527 56.3606 32.6320 177.6564 133 V 3.5837 7.8219 123.6061 63.2834 32.4121 172.4243 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 16 G 8.35 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 17 I 7.18 3.61 1.38 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.15 0.54 0.00 0.00 18 T 7.86 3.93 4.16 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 1.19 0.00 0.00 19 G 7.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.49 4.62 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 0.72 0.00 0.00 21 W 8.23 4.96 0.00 1.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 9.21 5.43 0.00 2.98 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 23 N 8.84 5.41 0.00 2.57 2.22 0.00 0.00 6.88 8.71 0.00 0.00 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 Q 8.56 4.46 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.55 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 25 L 7.95 4.67 0.00 1.71 1.74 1.00 0.97 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 26 G 8.39 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 0.00 0.00 0.00 27 S 8.92 5.10 0.00 4.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.74 4.97 4.19 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 0.95 0.00 0.00 29 F 8.99 5.17 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.01 4.83 1.81 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 1.19 0.32 0.81 0.00 0.00 31 V 8.44 4.85 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 0.83 0.00 0.00 0.77 0.00 0.00 32 T 8.74 4.69 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 1.17 0.00 0.00 33 A 8.70 4.32 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 34 G 9.42 3.80 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 0.00 0.00 0.00 35 A 8.57 4.08 1.31 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 0.00 0.00 0.00 36 D 8.06 4.51 0.00 2.77 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 37 G 8.40 3.40 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 0.00 38 A 8.05 4.87 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 39 L 9.11 5.26 0.00 1.79 1.59 0.73 0.61 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 40 T 8.87 4.88 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 1.21 0.00 0.00 41 G 7.19 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 0.00 0.00 0.00 0.00 42 T 8.17 5.07 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 1.30 0.00 0.00 43 Y 9.05 4.95 0.00 2.92 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 44 E 9.52 4.63 0.00 2.14 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 0.00 2.32 2.34 0.00 45 S 9.52 4.42 0.00 4.16 4.60 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 *52 S 7.59 4.52 0.00 3.94 4.06 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 53 R 8.43 5.16 0.00 1.67 1.87 0.00 3.16 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 1.59 1.66 0.00 54 Y 8.74 4.82 0.00 2.92 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 55 V 8.59 4.27 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 56 L 8.70 5.14 0.00 1.90 1.67 0.50 -0.10 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 57 T 8.37 4.93 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 1.23 0.00 0.00 58 G 8.50 4.79 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 59 R 8.41 5.60 0.00 1.74 1.78 0.00 3.29 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 60 Y 8.56 5.31 0.00 3.07 2.86 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 61 D 9.27 4.39 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 62 S 8.33 4.38 0.00 3.87 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.66 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 64 P 0.00 4.99 0.00 2.27 2.19 0.00 3.44 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.33 4.28 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 66 T 8.27 4.72 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 1.25 0.00 0.00 67 D 8.51 4.81 0.00 2.79 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 G 8.31 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 69 S 8.01 4.28 0.00 3.92 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 70 G 8.26 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 71 T 8.66 4.72 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 1.45 0.00 0.00 72 A 8.67 4.88 1.30 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 73 L 9.06 5.02 0.00 2.09 1.95 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.20 4.68 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 0.00 0.00 0.00 75 W 8.88 5.73 0.00 3.40 3.15 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 76 T 9.33 5.18 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 1.21 0.00 0.00 77 V 8.84 4.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.78 0.00 0.00 78 A 8.26 4.47 1.14 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 79 W 8.39 4.14 0.00 3.32 2.92 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 0.00 0.00 0.00 80 K 7.68 5.35 0.00 1.93 1.69 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 N 8.89 4.94 0.00 2.76 2.73 0.00 0.00 6.79 6.55 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 82 N 8.26 4.26 0.00 1.46 2.33 0.00 0.00 6.56 7.46 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 83 Y 7.55 4.82 0.00 3.10 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 84 R 7.71 4.53 0.00 2.11 2.13 0.00 2.97 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 85 N 8.48 5.20 0.00 2.69 2.65 0.00 0.00 6.94 7.96 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 86 A 8.94 4.22 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 87 H 8.72 4.15 0.00 3.29 3.29 0.00 5.64 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 88 S 7.36 5.22 0.00 4.02 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 89 A 9.07 4.98 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 90 T 8.86 4.90 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 -0.74 0.00 0.00 91 T 8.47 4.89 4.16 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 1.14 0.00 0.00 92 W 9.06 5.00 0.00 1.78 2.01 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 93 S 8.65 4.88 0.00 3.83 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 94 G 8.69 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 95 Q 8.40 5.31 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 96 Y 9.00 4.85 0.00 3.03 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 V 8.38 4.22 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 0.89 0.00 0.00 0.91 0.00 0.00 98 G 7.93 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 0.00 0.00 0.00 99 G 8.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.72 4.09 1.30 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 0.00 101 E 7.73 4.46 0.00 1.99 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 2.25 2.30 0.00 102 A 7.69 4.51 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.38 5.30 0.00 1.75 1.93 0.00 3.64 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 104 I 9.03 4.94 1.87 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.04 1.14 0.00 0.00 105 N 9.30 5.50 0.00 2.72 2.83 0.00 0.00 6.08 7.72 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 0.00 106 T 9.32 5.36 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 107 Q 9.06 5.26 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 108 W 8.51 5.47 0.00 2.67 2.36 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 0.00 109 L 8.71 5.25 0.00 1.53 1.53 0.88 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.62 5.00 0.00 1.60 1.69 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.83 5.04 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 0.00 112 S 8.59 5.20 0.00 3.77 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 0.00 113 G 8.93 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 0.00 0.00 0.00 114 T 8.39 4.83 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 1.29 0.00 0.00 115 T 8.05 4.41 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 0.00 116 E 8.54 4.22 0.00 1.98 2.03 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 2.31 2.24 0.00 117 A 7.54 4.12 1.24 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 0.00 0.00 118 N 8.00 4.85 0.00 2.83 2.80 0.00 0.00 6.84 8.12 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 0.00 119 A 8.04 4.40 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 4.25 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 0.00 121 K 7.73 4.64 0.00 1.86 1.86 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.33 7.81 122 S 8.09 4.44 0.00 4.06 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 0.00 123 T 7.86 5.14 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 1.25 0.00 0.00 124 L 9.38 4.82 0.00 1.77 1.68 0.98 0.54 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 0.00 125 V 7.81 4.46 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 0.55 0.00 0.00 0.71 0.00 0.00 126 G 6.68 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 0.00 0.00 0.00 127 H 8.00 5.36 0.00 3.18 3.10 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.33 4.98 0.00 3.22 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 0.00 129 T 8.62 5.16 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 1.39 0.00 0.00 130 F 9.35 5.59 0.00 3.15 3.29 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 0.00 131 T 9.39 5.46 4.41 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 1.36 0.00 0.00 132 K 8.84 3.63 0.00 1.47 1.56 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.78 7.81 133 V 7.82 3.58 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 0.25 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.