NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9427 8.3549 109.7415 45.5771 0.0000 173.1303 17 I 3.5570 7.9336 119.3667 63.9147 37.2427 175.6599 18 T 3.8334 7.8843 116.5410 62.5430 69.7903 174.2159 19 G 3.7110 7.3784 112.9565 45.3506 0.0000 170.2338 20 T 4.6606 7.4198 116.0928 61.6366 70.4142 174.3465 21 W 4.9723 9.0496 126.0198 55.0615 33.1724 174.2637 22 Y 5.5494 9.4863 119.2360 56.6233 41.9783 175.0651 23 N 5.4628 9.0412 120.5093 50.5189 40.0477 175.6895 24 Q 4.0049 8.5764 115.9941 59.3996 28.7147 177.0630 25 L 4.2273 7.9263 115.4581 54.8329 41.6784 177.4786 26 G 4.0215 8.0711 107.5027 45.0211 0.0000 174.2519 27 S 4.5235 9.2353 116.8930 58.8084 64.5773 173.3130 28 T 4.9305 8.0746 117.9347 61.7945 72.1088 172.8887 29 F 5.0701 9.2812 128.7197 56.4538 42.5067 173.5504 30 I 4.5262 8.4794 128.0367 59.8311 38.7303 175.2592 31 V 4.6058 7.8758 120.3689 59.4844 35.6741 175.0404 32 T 4.6405 8.3809 119.2151 61.7237 71.1818 173.0503 33 A 4.5421 8.3637 129.6394 50.4023 19.5035 177.3410 34 G 3.8530 9.3561 112.3128 44.7678 0.0000 173.2140 35 A 4.1645 8.7392 123.0033 54.9170 18.4246 178.2911 36 D 4.6748 7.7675 113.6112 52.1298 40.8770 175.8218 37 G 3.4592 8.0369 107.4824 44.7004 0.0000 170.4843 38 A 4.8536 7.7576 121.6371 51.2783 20.5452 176.5213 39 L 5.2134 8.8828 121.3300 53.1473 44.6871 175.9100 40 T 4.9727 9.1248 113.2289 59.4731 72.6639 174.6707 41 G 4.6137 7.2021 106.9952 46.2478 0.0000 171.0207 42 T 5.2466 7.5947 109.3674 60.1177 72.7438 172.3319 43 Y 5.2212 9.3121 125.3990 55.9591 41.3799 174.2117 44 E 5.3719 8.9611 123.8731 54.5315 33.9391 175.6109 *52 S 4.4252 8.4090 112.8933 58.0101 64.4740 173.0859 53 R 4.9507 7.9355 120.1395 55.6181 31.8112 174.4732 54 Y 4.9196 9.0096 122.0020 55.8535 42.1654 174.9923 55 V 4.3286 8.6010 122.7708 62.8949 32.1392 175.1031 56 L 5.1896 8.7349 127.6277 54.5306 43.8289 175.1438 57 T 4.8856 8.6094 113.7004 61.4869 71.3815 173.2979 58 G 4.3771 8.9033 113.0187 46.4733 0.0000 171.9467 59 R 6.0300 8.9949 117.6288 54.7997 35.1277 173.8319 60 Y 5.2904 8.1989 117.4268 55.5311 41.6478 174.2424 61 D 4.3176 9.0361 120.5294 54.1119 40.8420 176.7806 62 S 4.3160 8.2000 120.7549 58.8424 64.0672 174.5831 63 A 4.6203 8.3511 124.1167 50.1542 18.6881 173.1981 64 P 4.8649 0.0000 0.0000 60.4062 33.0354 177.0377 65 A 4.2055 8.3477 121.3608 52.8015 18.6491 177.2122 66 T 4.5958 8.3915 109.3828 61.5811 69.1212 174.7094 67 D 4.7957 8.3987 118.5641 53.6766 39.6017 176.9033 68 G 3.9879 8.3838 107.8326 45.6204 0.0000 174.5560 69 S 4.2422 8.3884 116.0988 58.4828 63.3023 174.2994 70 G 4.0291 8.3471 110.5554 46.0858 0.0000 172.7753 71 T 4.7528 8.8871 116.7441 61.7334 69.8311 175.0212 72 A 4.8967 8.6627 129.3620 52.2360 20.0140 175.8124 73 L 4.8869 9.0189 120.0731 55.6512 44.6609 173.8149 74 G 4.6551 9.1033 105.1575 45.4661 0.0000 172.1285 75 W 5.9024 8.6192 117.0099 55.4670 32.4429 173.5665 76 T 5.1818 9.3302 116.9648 61.8093 71.9805 173.3075 77 V 4.5097 8.8072 124.6880 60.9170 34.5567 173.8558 78 A 4.4877 8.3198 129.6032 49.6053 20.1639 177.8644 79 W 4.2626 8.3273 126.6371 55.9213 28.4544 176.3356 80 K 5.4128 7.8516 118.1919 54.7597 35.1322 174.6204 81 N 4.8791 9.0353 121.9443 52.1547 39.7490 174.6588 82 N 4.6103 8.5007 116.5694 54.3731 38.5479 175.1180 83 Y 4.7011 7.7485 114.6302 58.4374 40.7422 176.0231 84 R 4.7534 9.9209 117.5574 54.4973 34.2838 174.0303 85 N 5.2071 8.5278 117.6310 52.4585 40.4825 173.8693 86 A 4.2791 8.9288 128.4449 51.9166 19.5522 176.3147 87 H 4.2079 8.6754 113.6676 56.0148 26.9842 173.7152 88 S 5.1482 7.5029 110.8608 57.6294 66.8639 173.8040 89 A 5.1120 9.1780 121.3876 50.6407 23.0469 175.1405 90 T 4.9925 8.6527 116.7867 61.7301 72.1214 173.2104 91 T 4.7292 8.4552 115.9314 59.5720 71.8900 172.8089 92 W 4.8916 8.6443 124.8465 54.7649 31.7454 174.6758 93 S 4.9433 8.8067 119.5391 56.8529 64.8589 173.0385 94 G 4.3168 8.6756 113.3127 46.4722 0.0000 171.6247 95 Q 5.2223 8.4016 117.7350 54.8177 32.7010 173.6084 96 Y 4.7942 8.9906 123.7425 57.3361 40.3724 174.0098 97 V 4.3097 8.3461 127.4838 60.8923 33.7255 174.5928 98 G 3.9142 8.4512 116.1417 45.8978 0.0000 172.8631 99 G 4.1373 8.2143 112.3780 45.0087 0.0000 172.0196 100 A 3.9890 8.8957 121.6460 54.8141 18.2855 177.6870 101 E 4.3832 7.9090 117.3296 54.0875 30.1271 175.1804 102 A 4.3523 8.6365 129.1786 52.3828 19.0201 176.5277 103 R 5.1594 8.8591 121.3465 54.4947 34.4933 174.9505 104 I 4.7905 9.2418 123.5541 59.8932 39.7033 174.2535 105 N 5.3871 9.0670 126.0724 52.0911 40.4949 174.7379 106 T 5.3132 9.3421 113.4654 60.0941 73.3544 172.5222 107 Q 5.1495 9.2436 119.9384 54.0362 32.9053 174.8053 108 F 5.2041 8.7083 117.2917 54.8717 41.8382 173.8050 109 L 5.0318 8.5059 119.4165 52.9422 44.9928 175.2057 110 L 4.9828 8.7830 126.6465 52.9419 44.0867 174.9465 111 T 5.0756 9.1442 123.8259 61.9458 71.1525 173.7059 112 S 5.0915 8.4970 121.7739 56.3555 65.3491 174.3677 113 G 3.8387 8.9382 112.6400 46.5535 0.0000 173.0094 114 T 4.7596 8.3709 114.5782 59.4549 72.2826 173.3280 115 T 4.1958 7.9604 111.8361 61.1210 69.7214 175.1686 116 E 4.2133 8.5309 119.9360 57.6417 29.8428 178.0719 117 A 4.2404 7.5175 121.6070 54.3305 18.9649 178.0061 118 N 4.6368 8.0228 111.7070 53.0268 39.0908 176.8379 119 A 4.1026 8.0712 122.9056 53.9793 18.6316 180.0958 120 W 4.3941 8.2658 112.2993 58.4367 28.2889 176.6562 121 K 4.2979 6.7638 118.7505 56.1510 32.3442 177.3848 122 S 4.2300 7.8630 116.5077 60.9330 63.7241 173.4813 123 T 5.1189 7.5894 116.9930 61.6361 71.0756 173.6102 124 L 4.7007 8.9864 127.0182 53.4647 44.0154 175.9778 125 V 4.4641 7.8526 120.6374 60.3094 34.1747 175.1977 126 G 3.6861 6.8894 109.1740 45.9627 0.0000 171.3000 127 H 5.6557 8.3832 113.9614 54.4611 32.0487 172.5222 128 D 5.0654 9.0958 117.7030 53.4786 46.1348 174.4480 129 T 5.1606 8.6912 117.8190 61.9051 72.0971 172.8611 130 F 6.2576 9.7078 125.0889 55.4388 41.8255 174.9249 131 T 5.4489 8.8131 111.4427 60.0249 72.4705 174.5324 132 K 4.1015 8.6050 119.4238 56.4243 32.5573 177.5828 133 V 3.9770 7.6453 123.9494 62.8660 31.6159 174.8973 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 3.94 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 17 I 7.93 3.56 1.33 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.50 0.00 0.00 18 T 7.88 3.83 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 1.10 0.00 0.00 19 G 7.38 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 20 T 7.42 4.66 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 0.67 0.00 0.00 21 W 9.05 4.97 0.00 3.20 3.34 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 22 Y 9.49 5.55 0.00 2.92 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 23 N 9.04 5.46 0.00 2.35 2.28 0.00 0.00 6.63 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 24 Q 8.58 4.00 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.24 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 25 L 7.93 4.23 0.00 1.72 1.78 0.96 0.98 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 26 G 8.07 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 0.00 0.00 0.00 27 S 9.24 4.52 0.00 4.02 3.75 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 28 T 8.07 4.93 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 1.04 0.00 0.00 29 F 9.28 5.07 0.00 2.48 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 30 I 8.48 4.53 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 0.76 0.00 0.00 31 V 7.88 4.61 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 0.11 0.00 0.00 0.28 0.00 0.00 32 T 8.38 4.64 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 1.15 0.00 0.00 33 A 8.36 4.54 0.62 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 34 G 9.36 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 0.00 0.00 0.00 35 A 8.74 4.16 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 7.77 4.67 0.00 2.56 2.53 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 0.00 0.00 0.00 0.00 37 G 8.04 3.46 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 38 A 7.76 4.85 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 39 L 8.88 5.21 0.00 1.79 1.64 0.71 0.97 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 40 T 9.12 4.97 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 7.20 4.61 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 0.00 0.00 0.00 42 T 7.59 5.25 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 1.22 0.00 0.00 43 Y 9.31 5.22 0.00 3.01 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 44 E 8.96 5.37 0.00 2.05 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 2.36 2.42 0.00 *52 S 8.41 4.43 0.00 4.21 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 53 R 7.94 4.95 0.00 1.83 1.86 0.00 3.19 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 54 Y 9.01 4.92 0.00 2.92 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 55 V 8.60 4.33 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.73 5.19 0.00 2.02 1.80 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.61 4.89 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 1.26 0.00 0.00 58 G 8.90 4.38 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 0.00 59 R 8.99 6.03 0.00 1.77 1.88 0.00 3.32 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 60 Y 8.20 5.29 0.00 2.97 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 61 D 9.04 4.32 0.00 2.82 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 62 S 8.20 4.32 0.00 3.87 3.38 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 63 A 8.35 4.62 1.19 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 0.00 0.00 64 P 0.00 4.86 0.00 2.27 2.18 0.00 3.44 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 A 8.35 4.21 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 66 T 8.39 4.60 4.26 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 1.23 0.00 0.00 67 D 8.40 4.80 0.00 2.78 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 8.38 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 8.39 4.24 0.00 3.89 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 8.35 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 0.00 0.00 0.00 71 T 8.89 4.75 4.56 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 1.47 0.00 0.00 72 A 8.66 4.90 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 9.02 4.89 0.00 2.11 1.97 1.19 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.10 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.62 5.90 0.00 3.54 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 76 T 9.33 5.18 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 1.22 0.00 0.00 77 V 8.81 4.51 1.53 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 -0.39 0.00 0.00 0.88 0.00 0.00 78 A 8.32 4.49 1.18 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 0.00 0.00 0.00 79 W 8.33 4.26 0.00 3.35 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 80 K 7.85 5.41 0.00 1.95 1.73 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 81 N 9.04 4.88 0.00 2.70 2.43 0.00 0.00 6.78 7.41 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 82 N 8.50 4.61 0.00 1.94 2.37 0.00 0.00 6.55 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 7.75 4.70 0.00 3.02 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 84 R 9.92 4.75 0.00 1.88 1.89 0.00 3.20 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 85 N 8.53 5.21 0.00 2.62 2.61 0.00 0.00 6.96 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 8.93 4.28 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 87 H 8.68 4.21 0.00 3.35 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.50 5.15 0.00 4.00 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 0.00 89 A 9.18 5.11 1.15 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 0.00 0.00 90 T 8.65 4.99 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 -0.19 0.00 0.00 91 T 8.46 4.73 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 1.14 0.00 0.00 92 W 8.64 4.89 0.00 1.78 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 0.00 0.00 0.00 93 S 8.81 4.94 0.00 3.77 3.63 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 94 G 8.68 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 0.00 0.00 0.00 0.00 95 Q 8.40 5.22 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 8.99 4.79 0.00 3.08 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 97 V 8.35 4.31 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 0.85 0.00 0.00 0.93 0.00 0.00 98 G 8.45 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 99 G 8.21 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 0.00 100 A 8.90 3.99 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 7.91 4.38 0.00 1.96 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 0.00 2.28 2.36 0.00 102 A 8.64 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.86 5.16 0.00 1.83 1.88 0.00 3.14 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 104 I 9.24 4.79 1.68 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.00 1.04 0.00 0.00 105 N 9.07 5.39 0.00 2.74 2.82 0.00 0.00 6.10 6.35 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 0.00 106 T 9.34 5.31 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 1.42 0.00 0.00 107 Q 9.24 5.15 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 108 F 8.71 5.20 0.00 2.26 2.26 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 0.00 109 L 8.51 5.03 0.00 1.47 1.49 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.78 4.98 0.00 1.73 1.59 0.96 0.43 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 0.00 111 T 9.14 5.08 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 1.18 0.00 0.00 112 S 8.50 5.09 0.00 3.82 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 0.00 113 G 8.94 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 0.00 114 T 8.37 4.76 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 1.15 0.00 0.00 115 T 7.96 4.20 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 1.20 0.00 0.00 116 E 8.53 4.21 0.00 1.99 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 2.31 2.25 0.00 117 A 7.52 4.24 1.35 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 0.00 118 N 8.02 4.64 0.00 2.70 2.63 0.00 0.00 6.74 7.28 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 0.00 119 A 8.07 4.10 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 0.00 120 W 8.27 4.39 0.00 3.53 3.23 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 0.00 121 K 6.76 4.30 0.00 1.22 0.74 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.73 0.76 7.81 122 S 7.86 4.23 0.00 4.13 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 0.00 123 T 7.59 5.12 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 1.15 0.00 0.00 124 L 8.99 4.70 0.00 1.58 1.57 0.91 0.47 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 0.00 125 V 7.85 4.46 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 0.59 0.00 0.00 0.76 0.00 0.00 126 G 6.89 3.69 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 0.00 0.00 0.00 127 H 8.38 5.66 0.00 3.23 3.20 0.00 5.72 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 0.00 128 D 9.10 5.07 0.00 3.08 2.59 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 0.00 129 T 8.69 5.16 4.29 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 1.41 0.00 0.00 130 F 9.71 6.26 0.00 3.14 3.39 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 0.00 131 T 8.81 5.45 4.38 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 1.44 0.00 0.00 132 K 8.60 4.10 0.00 1.52 1.57 0.00 1.37 0.00 0.00 1.62 0.00 0.00 2.20 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.60 7.81 133 V 7.65 3.98 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 0.76 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.