NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3699 8.2644 123.5853 52.3030 19.8872 174.5466 24 L 4.4659 8.1022 115.9214 54.6880 44.0321 177.0046 25 H 4.0876 8.6512 113.4330 57.5523 29.4055 175.5756 26 W 4.3972 8.0726 132.9170 59.5717 31.3128 178.2930 27 R 4.1314 7.8442 119.6335 60.6072 29.2604 180.9639 28 A 4.1421 9.1175 121.7967 55.0772 18.3783 179.6583 29 A 3.9430 7.9086 118.8610 54.8987 18.8593 179.5253 30 G 3.7141 7.5275 104.1486 48.2631 0.0000 175.6849 31 A 4.0377 8.1801 123.0423 54.6926 18.4864 179.6455 32 A 3.9768 8.1572 119.4290 54.9191 18.2781 180.1021 33 T 3.6070 7.5718 108.4048 65.0497 68.7903 177.0360 34 V 3.5042 7.2337 120.7396 65.3589 31.5234 177.7460 35 L 3.9300 7.8768 120.1166 57.8035 41.8660 178.7294 36 L 3.8486 7.8477 120.4967 58.0624 41.8202 178.9120 37 V 3.5461 7.6182 117.1335 66.2306 31.5480 177.5565 38 I 3.8391 7.5733 118.3691 63.7690 37.7876 177.8427 39 V 3.6241 7.8129 121.7610 66.6012 31.3687 178.2737 40 L 3.9598 7.8377 121.9021 59.7930 40.5389 181.4062 41 L 4.3637 7.6059 119.1367 57.9650 41.5309 178.9566 42 A 4.1532 8.1738 120.4393 55.7404 18.0258 179.7407 43 G 3.8029 8.2194 102.4843 48.0129 0.0000 175.5673 44 S 4.3311 8.0364 116.5456 61.5857 62.9833 175.6570 45 Y 4.3854 7.9083 116.8222 59.0273 38.0411 177.5093 46 L 4.2577 8.4286 122.2536 57.8475 42.2090 178.5084 47 A 4.3397 9.9228 119.8477 54.0289 17.9624 179.2697 *49 L 4.2850 7.8740 118.7782 55.0441 43.2353 182.3389 50 A 4.2406 7.5919 120.7665 54.2836 18.9012 177.7576 51 E 4.6968 8.1232 116.5723 56.1145 30.0175 175.9911 52 R 4.9954 8.8146 117.1837 51.6622 30.4009 173.3578 53 G 3.6082 7.4892 122.5047 44.3154 0.0000 169.0134 54 A 4.2595 7.1350 121.9495 51.1278 22.1263 176.1178 55 P 4.3376 0.0000 0.0000 63.8201 31.4357 177.3097 56 G 3.8418 8.6027 108.7959 45.6668 0.0000 174.8299 57 A 4.6254 7.9863 128.3889 51.7717 17.4541 178.6864 58 Q 4.5387 8.7144 117.4114 58.3703 29.1379 175.0127 59 L 4.3144 7.7422 116.6874 54.5487 42.6216 176.8579 60 I 3.8617 7.5332 111.4944 64.5254 38.3535 177.3669 61 T 4.2059 7.8048 120.6849 63.3582 69.8162 175.1607 *62 Y 3.9274 8.4812 128.3922 61.7363 36.6258 174.7327 63 P 4.5751 0.0000 0.0000 65.8663 31.2440 179.3011 64 R 3.8434 7.6508 119.8050 61.5264 29.3777 183.1398 65 A 4.4187 7.7710 121.9391 55.1995 18.1114 179.5682 66 L 4.0523 8.0482 116.7905 58.1077 41.3391 179.5588 67 W 4.1854 7.9752 127.3048 59.8607 30.5976 177.5238 68 W 4.3336 8.7378 131.6829 60.9201 29.4734 178.3680 69 S 3.1141 9.1282 119.1101 63.3413 61.1506 179.2264 70 V 4.0594 7.4785 123.3742 66.5458 31.2928 178.7923 71 E 3.9291 7.2596 118.5396 60.3953 29.5919 181.1625 72 T 3.7863 7.4545 115.1190 66.7744 68.5414 176.8650 73 A 4.0411 9.0524 122.3078 54.4355 18.3307 179.2989 74 T 3.9360 7.3042 108.4464 62.6533 68.8385 176.3212 75 T 3.4178 7.5147 112.3077 62.1746 66.9180 173.8988 76 V 3.3840 6.7381 119.3920 59.2678 32.5822 179.1507 77 G 3.6670 7.6287 107.9850 45.7743 0.0000 172.7346 78 Y 4.1375 7.9762 118.5426 62.4463 38.4521 178.3524 79 G 4.0907 8.8223 104.7860 45.7150 0.0000 174.5635 80 D 4.5428 8.4330 119.3799 55.8308 39.3256 175.8519 81 L 4.7079 7.5325 119.5644 54.7243 43.6581 175.2300 *82 Y 4.4557 7.7804 113.1738 55.4956 39.8946 170.2546 83 P 5.3023 0.0000 0.0000 62.0774 31.9632 176.7039 84 V 4.4594 9.7340 108.7269 61.2189 35.2770 175.9317 85 T 4.0346 8.0665 118.7187 63.0541 68.9734 174.7199 86 L 4.0564 9.0048 128.2266 58.4590 41.9097 179.3244 87 W 4.1981 8.6102 118.1374 59.7767 29.1357 178.5511 88 G 3.8323 8.5269 106.1689 48.6627 0.0000 176.0390 89 R 4.1752 8.5230 122.9749 61.2850 29.3593 181.0983 90 L 4.1090 8.1608 120.1993 57.7854 41.6879 179.7856 91 V 3.5531 8.0609 117.7970 66.1851 31.0790 177.5451 92 A 4.1661 8.1571 120.0709 55.7388 18.1545 179.7742 93 V 3.4830 7.4613 109.9818 64.9801 31.3567 179.1689 94 V 3.7084 7.7889 118.0054 65.6298 31.2302 178.6073 95 V 3.5770 8.8619 119.9747 65.0538 31.4639 177.9462 96 M 3.8641 7.9891 119.3487 58.3153 31.8600 178.7326 97 V 3.5791 7.4153 110.4157 64.7742 31.7082 178.3901 98 A 4.0240 7.7260 120.0236 55.1301 18.2764 179.3992 99 G 4.4677 8.1178 104.9437 47.4883 0.0000 175.4635 100 I 3.8029 7.7855 115.7153 64.0233 37.7123 177.8256 101 T 3.9120 8.0000 118.4054 66.1792 67.9827 176.2023 102 S 3.9668 8.6638 115.8892 61.8678 62.6903 176.8984 103 F 4.0343 8.2392 121.0292 60.2193 38.8984 177.9040 104 G 3.9775 8.8870 105.8465 48.5273 0.0000 174.7445 105 L 3.9352 7.8985 120.4802 57.6038 41.5723 179.2861 106 V 3.4302 7.5882 117.8746 66.6469 31.4103 178.8680 107 T 3.8193 7.9806 115.0349 66.5876 68.3997 176.5480 108 A 3.9943 7.9657 122.4371 55.1314 18.2956 179.5701 109 A 4.2126 8.3364 123.2562 55.4184 18.5807 180.5587 110 L 4.0523 8.0190 120.7277 59.4246 41.0459 181.4178 111 A 4.2604 8.2644 121.5687 55.2604 17.8959 179.9318 112 T 3.9137 8.2448 110.8795 65.4987 68.7293 177.6142 *113 W 4.2434 8.4413 127.5323 61.5290 28.4109 180.1886 *114 F 4.6181 8.1105 121.1405 61.4641 37.8155 181.3593 115 V 4.3463 7.5933 117.1438 65.5672 31.5867 183.5023 116 G 4.1139 8.3732 103.9643 46.6071 0.0000 173.6535 117 R 4.4735 7.8943 118.2053 55.8553 30.4942 176.8471 118 E 3.9634 8.7393 117.2685 60.3428 29.8831 176.6638 119 Q 3.7190 7.1347 119.8434 55.4249 29.8709 175.8529 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 23 A 8.26 4.37 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 24 L 8.10 4.47 0.00 1.79 1.64 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.65 4.09 0.00 3.44 3.47 0.00 5.56 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.07 4.40 0.00 3.25 3.01 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 27 R 7.84 4.13 0.00 1.86 1.91 0.00 3.31 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.25 0.00 28 A 9.12 4.14 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 29 A 7.91 3.94 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 30 G 7.53 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 31 A 8.18 4.04 1.37 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 32 A 8.16 3.98 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 33 T 7.57 3.61 4.07 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 0.00 0.00 1.13 0.00 0.00 34 V 7.23 3.50 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 0.96 0.00 0.00 0.96 0.00 0.00 35 L 7.88 3.93 0.00 1.71 1.72 0.87 0.53 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 36 L 7.85 3.85 0.00 1.75 1.76 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.62 3.55 2.16 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 0.85 0.00 0.00 0.90 0.00 0.00 38 I 7.57 3.84 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 1.41 1.18 0.92 0.00 0.00 39 V 7.81 3.62 2.22 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 0.92 0.00 0.00 0.97 0.00 0.00 40 L 7.84 3.96 0.00 1.71 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.61 4.36 0.00 2.10 1.91 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.17 4.15 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 43 G 8.22 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 44 S 8.04 4.33 0.00 4.20 3.66 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 45 Y 7.91 4.39 0.00 2.89 3.08 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 46 L 8.43 4.26 0.00 2.01 1.86 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 A 9.92 4.34 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 *49 L 7.87 4.29 0.00 1.70 1.64 0.92 0.79 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 50 A 7.59 4.24 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 51 E 8.12 4.70 0.00 1.92 1.72 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 2.09 2.13 0.00 52 R 8.81 5.00 0.00 1.71 1.75 0.00 3.38 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 53 G 7.49 3.61 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 54 A 7.14 4.26 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 55 P 0.00 4.34 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 56 G 8.60 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 57 A 7.99 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.71 4.54 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 59 L 7.74 4.31 0.00 1.33 1.54 0.47 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.53 3.86 1.85 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 1.41 0.72 0.93 0.00 0.00 61 T 7.80 4.21 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 *62 Y 8.48 3.93 0.00 2.31 2.31 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 63 P 0.00 4.58 0.00 2.26 2.36 0.00 3.53 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 64 R 7.65 3.84 0.00 1.95 1.97 0.00 3.30 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 65 A 7.77 4.42 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 66 L 8.05 4.05 0.00 2.01 1.86 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 W 7.98 4.19 0.00 3.35 3.33 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 68 W 8.74 4.33 0.00 3.49 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 69 S 9.13 3.11 0.00 3.73 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 70 V 7.48 4.06 1.80 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 0.74 0.00 0.00 0.93 0.00 0.00 71 E 7.26 3.93 0.00 2.04 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 2.24 2.08 0.00 72 T 7.45 3.79 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 0.78 0.00 0.00 73 A 9.05 4.04 1.23 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 0.00 0.00 74 T 7.30 3.94 4.07 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 0.00 0.00 1.22 0.00 0.00 75 T 7.51 3.42 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 1.09 0.00 0.00 76 V 6.74 3.38 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 0.71 0.00 0.00 0.93 0.00 0.00 77 G 7.63 3.67 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 0.00 0.00 0.00 78 Y 7.98 4.14 0.00 3.05 3.14 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 79 G 8.82 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.43 4.54 0.00 2.86 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 81 L 7.53 4.71 0.00 1.70 1.71 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *82 Y 7.78 4.46 0.00 2.31 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 0.00 0.00 0.00 0.00 83 P 0.00 5.30 0.00 1.96 1.70 0.00 3.31 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.29 0.00 84 V 9.73 4.46 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 0.70 0.00 0.00 0.97 0.00 0.00 85 T 8.07 4.03 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 1.24 0.00 0.00 86 L 9.00 4.06 0.00 1.98 2.45 1.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.61 4.20 0.00 3.34 3.11 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 88 G 8.53 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 4.18 0.00 1.81 1.94 0.00 3.30 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 90 L 8.16 4.11 0.00 1.62 1.59 0.36 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.06 3.55 2.35 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 1.20 0.00 0.00 1.05 0.00 0.00 92 A 8.16 4.17 1.79 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 93 V 7.46 3.48 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 0.92 0.00 0.00 1.07 0.00 0.00 94 V 7.79 3.71 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 1.05 0.00 0.00 0.91 0.00 0.00 95 V 8.86 3.58 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 0.44 0.00 0.00 0.78 0.00 0.00 96 M 7.99 3.86 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 97 V 7.42 3.58 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 0.94 0.00 0.00 0.98 0.00 0.00 98 A 7.73 4.02 1.34 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 0.00 0.00 99 G 8.12 4.47 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 0.00 0.00 0.00 100 I 7.79 3.80 1.89 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 1.51 0.95 0.89 0.00 0.00 101 T 8.00 3.91 4.46 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 1.18 0.00 0.00 102 S 8.66 3.97 0.00 3.75 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 0.00 103 F 8.24 4.03 0.00 3.31 3.07 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 0.00 0.00 0.00 104 G 8.89 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.90 3.94 0.00 1.92 1.59 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.59 3.43 2.22 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 0.97 0.00 0.00 0.83 0.00 0.00 107 T 7.98 3.82 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 1.22 0.00 0.00 108 A 7.97 3.99 1.37 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 0.00 109 A 8.34 4.21 1.34 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 0.00 0.00 110 L 8.02 4.05 0.00 1.69 1.69 0.92 1.13 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 0.00 111 A 8.26 4.26 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 0.00 112 T 8.24 3.91 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 1.25 0.00 0.00 *113 W 8.44 4.24 0.00 2.61 2.25 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 *114 F 8.11 4.62 0.00 2.42 2.23 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 0.00 115 V 7.59 4.35 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 0.74 0.00 0.00 0.93 0.00 0.00 116 G 8.37 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 0.00 0.00 0.00 117 R 7.89 4.47 0.00 1.76 1.91 0.00 3.41 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 118 E 8.74 3.96 0.00 2.00 1.99 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 2.28 2.48 0.00 119 Q 7.13 3.72 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.