NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9295 8.3549 109.7236 45.6932 0.0000 174.9324 17 I 3.5089 7.1337 124.1948 62.8565 37.9338 175.9315 18 T 3.9342 7.5697 116.9548 63.1789 70.2502 174.2364 19 G 3.4469 7.4569 112.8509 44.8587 0.0000 171.2402 20 T 4.6952 7.8424 117.3614 61.4875 71.1607 173.7764 21 W 5.0252 8.7236 125.3503 54.9885 33.6596 173.9516 22 Y 5.5954 9.3131 118.9106 56.5388 41.8910 175.1469 23 N 5.6955 9.0795 120.4457 50.3332 39.7461 175.7213 24 Q 4.0410 8.7489 116.5153 58.8220 28.2433 177.6322 25 L 4.4192 8.1451 115.3172 54.3158 42.5457 176.9114 26 G 4.1012 8.3121 106.9054 45.0125 0.0000 173.7533 27 S 4.7876 9.0440 116.5790 58.0875 64.6937 173.2474 28 T 4.9767 8.6339 119.6795 61.7191 71.5439 173.0889 29 F 4.9143 9.2658 128.0362 56.5559 42.3434 173.6826 30 I 4.4051 8.1662 128.6543 59.9543 38.4402 175.5154 31 V 4.5481 7.9747 120.5431 59.4852 35.3060 174.9772 32 T 4.7008 8.8629 119.8794 61.6891 71.2185 172.9341 33 A 4.6582 8.6113 129.4841 50.6661 19.9044 176.8340 34 G 4.0829 9.2194 110.5634 44.7597 0.0000 174.4549 35 A 4.1181 8.8571 124.2369 54.5598 18.9803 178.1633 36 D 4.7469 7.8744 112.7643 53.1037 40.9499 176.2477 37 G 3.1828 8.3889 106.9942 45.1887 0.0000 171.7782 38 A 4.7462 7.6622 121.3911 51.4146 20.4093 176.6994 39 L 5.2650 9.1278 121.1370 53.1601 44.7125 175.9407 40 T 4.8426 9.7490 113.5427 59.3610 72.6874 174.7894 41 G 3.7905 6.7978 107.2449 46.3673 0.0000 171.0800 42 T 5.2532 7.6192 109.5145 60.1374 72.8885 172.4260 43 Y 5.0741 9.3648 124.8303 56.1361 41.4249 174.3468 44 E 5.9800 8.8961 124.8626 54.1944 34.4959 176.7968 45 S 4.8249 8.9298 111.9461 60.0544 67.3100 174.1489 *49 N 4.4536 8.1262 117.9212 52.0939 38.4889 175.0327 50 A 4.0609 8.3173 120.6545 55.1432 18.4538 179.4448 51 E 4.1366 7.9444 112.3789 58.2855 30.0504 177.4017 52 S 4.9326 8.1940 114.3988 58.0745 64.5099 172.9405 53 R 5.1841 7.6377 120.9109 55.4462 31.1764 175.0308 54 Y 4.9437 9.1122 123.1850 55.9950 42.5540 174.9246 55 V 4.4225 8.6081 122.3566 62.7959 32.7288 175.0588 56 L 5.2330 8.7129 126.8321 54.5871 43.9966 175.0262 57 T 4.9443 8.5464 113.4749 61.6608 71.5209 173.3846 58 G 4.5936 8.5944 110.9413 46.6184 0.0000 172.2416 59 R 6.0300 8.6918 117.2396 54.4813 34.9557 174.0143 60 Y 5.3264 8.2386 118.1489 55.1221 41.5194 174.5317 61 D 4.3097 9.2085 120.4676 54.4230 40.4883 176.7552 62 S 4.3110 8.1673 120.5688 59.0159 63.9902 174.5889 63 A 4.6402 8.4166 123.9556 50.0628 18.5788 173.0046 64 P 4.7613 0.0000 0.0000 60.7943 32.7793 176.9283 65 A 4.2143 8.3360 121.3130 52.6419 18.6920 177.3880 66 T 4.5291 8.3517 109.6423 61.5069 69.1124 175.0067 67 D 4.5098 7.8801 120.5381 53.5675 39.9879 176.5843 68 G 4.0197 8.2862 106.5409 45.7183 0.0000 174.5453 69 S 4.3121 8.5784 116.5225 58.2311 63.3876 174.1141 70 G 4.0372 8.3072 109.9872 46.1439 0.0000 172.6340 71 T 4.8048 8.8790 116.7348 61.5294 70.1367 174.8905 72 A 4.7802 8.6838 129.4563 52.2419 19.9079 175.9522 73 L 5.1281 9.0862 121.1650 55.3909 44.9774 174.2717 74 G 5.1139 8.9954 103.8523 45.6562 0.0000 172.4180 75 W 5.9727 8.1401 117.6685 55.4679 32.2806 173.2711 76 T 5.2026 9.2908 116.4397 61.7907 72.0907 173.4404 77 V 4.4785 8.6647 124.0980 60.9582 34.4863 173.9848 78 A 4.4461 8.3149 129.6288 49.8262 20.1072 177.9219 79 W 4.1340 8.2984 125.3624 55.6546 28.1996 176.2217 80 K 5.3046 7.7583 118.5058 54.6349 34.7338 174.4653 81 N 5.0164 9.2883 122.5118 51.6968 40.0540 174.2497 82 N 4.0777 8.4818 113.8493 55.5902 38.7646 175.3930 83 Y 4.7069 7.3435 114.5282 58.4834 40.0192 176.2078 84 R 4.7483 9.4851 118.1176 54.4817 34.2496 174.0306 85 N 5.2846 8.6181 118.2413 52.5685 40.5061 173.7054 86 A 4.3879 9.2571 128.7114 51.5636 19.9941 176.1481 87 H 4.1806 8.7043 113.7280 56.0334 26.6904 173.3713 88 S 5.1552 7.3863 111.4279 58.0268 66.5573 174.9742 89 A 5.0073 8.8784 121.0341 50.7165 22.7479 175.2096 90 T 5.0197 8.7706 117.8152 61.7493 71.9219 173.4135 91 T 4.8615 8.5645 115.3933 59.5886 72.0286 172.6515 92 W 4.9697 8.6901 124.7768 54.7557 31.9214 174.5298 93 S 4.9529 8.7214 119.8765 56.8640 64.5449 173.0217 94 G 4.3730 8.8872 113.3120 47.1830 0.0000 171.5507 95 Q 5.2395 8.2235 117.3048 54.9960 32.3822 173.3919 96 Y 4.8315 9.4281 123.8715 57.0649 40.7150 174.1122 97 V 4.3120 8.6242 126.2336 60.8675 34.0014 174.9798 98 G 3.8415 8.5316 115.3162 45.1831 0.0000 174.5018 99 G 3.8241 8.6254 107.2169 44.9284 0.0000 171.1282 100 A 3.4597 7.8610 119.7905 55.3701 18.5179 177.4881 101 E 4.2729 8.0573 127.7200 53.2991 29.6477 175.7846 102 A 4.4491 8.5205 128.3868 52.6369 18.9720 176.4949 103 R 5.3055 9.2079 118.1893 54.8738 33.9924 174.1919 104 I 4.8893 8.7181 121.0713 59.9046 39.7795 174.3687 105 N 5.3582 8.8452 125.6641 52.1683 40.3625 174.7133 106 T 5.3970 9.2894 113.4367 60.0973 73.2178 172.6143 107 Q 5.1536 9.3566 120.7529 53.8265 32.6177 174.8385 108 W 5.3367 8.3785 118.9144 54.5822 32.2645 173.8883 109 L 5.2971 8.6629 120.3476 52.9143 44.8327 175.1990 110 L 5.0671 9.1247 126.0795 53.7679 44.4915 174.8628 111 T 5.0460 8.9287 124.1484 62.0970 70.7192 173.9514 112 S 5.1750 9.0695 122.8646 56.5232 64.9497 174.4781 113 G 3.8776 8.7503 112.2516 46.6627 0.0000 173.0664 114 T 4.8054 8.3078 113.9440 59.6369 72.3763 173.4122 115 T 4.1261 8.0642 112.1595 61.2709 69.7255 175.2709 116 E 4.1718 8.5989 120.4037 58.3806 29.2892 179.1247 117 A 4.1672 7.4789 121.1900 54.1843 18.6744 178.3173 118 N 4.6486 7.8128 113.1065 53.1924 38.9917 176.6652 119 A 4.1013 7.9653 127.4951 54.4739 18.1351 180.4316 120 F 4.2880 8.3302 111.5725 58.9293 38.1224 175.9698 121 K 4.3651 6.8861 119.8742 56.3630 32.6790 177.2551 122 S 4.3037 7.8891 116.2395 60.2309 63.6937 173.3233 123 T 5.0931 7.6646 117.3419 61.7357 70.7036 173.7389 124 L 4.6938 8.8360 126.9986 53.7093 43.8981 176.1628 125 V 4.3499 7.7703 119.9660 60.3295 34.4246 175.1721 126 G 3.1475 6.7432 108.2246 45.9911 0.0000 171.2161 127 H 5.4324 8.1218 113.5625 54.5912 31.5858 172.6480 128 D 5.1488 9.2200 118.2679 53.2798 46.0861 174.3732 129 T 5.1322 9.5398 118.0880 61.9196 72.0455 172.9624 130 F 5.7608 9.5776 125.3515 56.1885 41.9151 174.8776 131 T 5.5942 9.4268 111.6937 60.2460 72.2255 174.9259 132 K 3.9482 8.7478 120.2879 57.0633 32.6226 177.5467 133 V 3.9484 7.2238 124.2485 62.8636 31.3639 175.1586 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 7.13 3.51 1.32 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 0.83 -0.36 0.52 0.00 0.00 18 T 7.57 3.93 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 1.11 0.00 0.00 19 G 7.46 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.70 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 0.77 0.00 0.00 21 W 8.72 5.03 0.00 3.25 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 22 Y 9.31 5.60 0.00 3.00 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 23 N 9.08 5.70 0.00 2.40 2.23 0.00 0.00 6.59 7.27 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 24 Q 8.75 4.04 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 25 L 8.15 4.42 0.00 1.84 1.78 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.31 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 0.00 0.00 0.00 27 S 9.04 4.79 0.00 4.10 3.81 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 0.00 0.00 0.00 0.00 28 T 8.63 4.98 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 1.10 0.00 0.00 29 F 9.27 4.91 0.00 2.48 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 30 I 8.17 4.41 1.72 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 1.05 0.30 0.74 0.00 0.00 31 V 7.97 4.55 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 0.27 0.00 0.00 0.16 0.00 0.00 32 T 8.86 4.70 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 33 A 8.61 4.66 0.64 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 34 G 9.22 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 35 A 8.86 4.12 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 7.87 4.75 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.18 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 0.00 38 A 7.66 4.75 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 9.13 5.26 0.00 1.84 1.61 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.75 4.84 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 1.22 0.00 0.00 41 G 6.80 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 0.00 0.00 0.00 42 T 7.62 5.25 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 1.22 0.00 0.00 43 Y 9.36 5.07 0.00 3.06 3.03 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 44 E 8.90 5.98 0.00 1.95 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 2.28 2.12 0.00 45 S 8.93 4.82 0.00 3.86 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 *49 N 8.13 4.45 0.00 3.05 2.98 0.00 0.00 6.06 7.49 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 50 A 8.32 4.06 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 51 E 7.94 4.14 0.00 2.03 1.76 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 2.34 2.11 0.00 52 S 8.19 4.93 0.00 4.11 4.17 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 53 R 7.64 5.18 0.00 1.89 1.98 0.00 3.19 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 54 Y 9.11 4.94 0.00 3.00 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 55 V 8.61 4.42 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.71 5.23 0.00 2.07 1.82 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.55 4.94 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 8.59 4.59 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 0.00 0.00 0.00 59 R 8.69 6.03 0.00 1.79 1.79 0.00 3.29 0.00 0.00 3.34 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 60 Y 8.24 5.33 0.00 2.95 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 9.21 4.31 0.00 2.73 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 62 S 8.17 4.31 0.00 3.88 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 63 A 8.42 4.64 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 64 P 0.00 4.76 0.00 2.27 2.20 0.00 3.45 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 65 A 8.34 4.21 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 66 T 8.35 4.53 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 67 D 7.88 4.51 0.00 2.80 2.84 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 68 G 8.29 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 69 S 8.58 4.31 0.00 3.89 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 70 G 8.31 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 8.88 4.80 4.53 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 1.46 0.00 0.00 72 A 8.68 4.78 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 73 L 9.09 5.13 0.00 1.97 1.96 1.21 0.72 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 9.00 5.11 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 0.00 0.00 0.00 75 W 8.14 5.97 0.00 3.55 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 76 T 9.29 5.20 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 1.21 0.00 0.00 77 V 8.66 4.48 1.52 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 -0.49 0.00 0.00 0.87 0.00 0.00 78 A 8.31 4.45 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 79 W 8.30 4.13 0.00 3.35 2.97 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 80 K 7.76 5.30 0.00 1.87 1.72 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.44 7.81 81 N 9.29 5.02 0.00 2.70 2.65 0.00 0.00 6.68 7.00 0.00 0.00 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 8.48 4.08 0.00 1.90 2.47 0.00 0.00 6.66 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 7.34 4.71 0.00 2.88 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 9.49 4.75 0.00 1.97 1.95 0.00 3.41 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 85 N 8.62 5.28 0.00 2.64 2.59 0.00 0.00 6.93 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 9.26 4.39 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 87 H 8.70 4.18 0.00 3.36 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.39 5.16 0.00 4.03 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 89 A 8.88 5.01 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 8.77 5.02 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 -0.45 0.00 0.00 91 T 8.56 4.86 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 1.14 0.00 0.00 92 W 8.69 4.97 0.00 1.78 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 0.00 0.00 0.00 93 S 8.72 4.95 0.00 3.80 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 8.89 4.37 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 0.00 95 Q 8.22 5.24 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 96 Y 9.43 4.83 0.00 2.99 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 97 V 8.62 4.31 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 0.92 0.00 0.00 0.91 0.00 0.00 98 G 8.53 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 99 G 8.63 3.82 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 0.00 0.00 0.00 100 A 7.86 3.46 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 0.00 101 E 8.06 4.27 0.00 1.98 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 2.39 0.00 102 A 8.52 4.45 1.44 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 0.00 0.00 0.00 103 R 9.21 5.31 0.00 2.23 2.16 0.00 2.90 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 104 I 8.72 4.89 1.71 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.10 1.04 0.00 0.00 105 N 8.85 5.36 0.00 2.76 2.82 0.00 0.00 6.09 6.34 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 0.00 106 T 9.29 5.40 4.48 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 1.46 0.00 0.00 107 Q 9.36 5.15 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 108 W 8.38 5.34 0.00 2.63 2.29 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 0.00 109 L 8.66 5.30 0.00 1.53 1.54 0.87 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.12 5.07 0.00 1.67 1.67 0.99 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.93 5.05 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 1.20 0.00 0.00 112 S 9.07 5.17 0.00 3.66 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 0.00 113 G 8.75 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 0.00 114 T 8.31 4.81 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 1.20 0.00 0.00 115 T 8.06 4.13 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 0.00 116 E 8.60 4.17 0.00 2.01 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 0.00 2.40 2.33 0.00 117 A 7.48 4.17 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 0.00 118 N 7.81 4.65 0.00 2.68 2.62 0.00 0.00 6.77 7.44 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 0.00 119 A 7.97 4.10 1.49 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 0.00 120 F 8.33 4.29 0.00 3.14 3.18 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 0.00 121 K 6.89 4.37 0.00 1.57 1.50 0.00 1.24 0.00 0.00 1.22 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.82 7.81 122 S 7.89 4.30 0.00 4.13 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 0.00 123 T 7.66 5.09 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 1.19 0.00 0.00 124 L 8.84 4.69 0.00 1.87 1.73 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.77 4.35 1.88 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 0.53 0.00 0.00 0.70 0.00 0.00 126 G 6.74 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 0.00 0.00 0.00 127 H 8.12 5.43 0.00 3.24 3.13 0.00 5.69 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 9.22 5.15 0.00 3.07 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 9.54 5.13 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 9.58 5.76 0.00 3.00 3.27 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 0.00 131 T 9.43 5.59 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 132 K 8.75 3.95 0.00 1.52 1.53 0.00 1.37 0.00 0.00 1.69 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.60 7.81 133 V 7.22 3.95 2.13 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 0.72 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.