NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7591 8.4549 115.4697 54.7087 43.1276 172.9591 2 D 4.4080 8.4473 119.6622 53.6448 40.9734 175.3983 3 I 2.9322 7.9187 124.4636 60.2978 38.4762 174.2883 4 P 4.4200 0.0000 0.0000 62.3912 31.9483 176.3436 5 Q 4.1646 8.4414 118.3328 59.0468 29.0539 176.5947 6 S 4.8787 7.6823 110.5288 57.3547 65.7357 173.1481 7 T 4.9383 9.0859 117.8709 60.4313 71.5795 172.0110 8 N 5.2724 9.3683 124.6236 52.3447 42.1635 172.7510 9 C 5.0419 9.5280 125.7737 55.9842 39.8150 173.7346 10 G 3.9340 9.6433 111.8135 46.7415 0.0000 172.0772 11 G 3.9283 8.5264 108.2644 45.1629 0.0000 174.5667 12 N 4.5505 8.4813 118.5447 52.0079 38.5514 173.9054 13 V 4.5752 8.0160 123.9724 61.8229 32.7984 174.6495 14 Y 5.1594 9.0106 125.4510 56.1866 41.8094 175.5311 15 S 5.0392 9.2739 117.9538 57.2684 65.0888 174.7222 16 N 4.2368 8.9264 118.0903 56.4936 36.4698 176.5972 17 D 4.2752 8.0271 119.5265 57.1185 41.4071 177.6953 18 D 4.3983 8.2143 119.3942 57.4454 40.8478 178.9859 19 I 3.6246 7.7770 120.1817 64.3733 37.0837 177.9385 20 N 4.2451 8.3717 118.2322 57.0477 38.7022 176.9419 21 T 3.8308 8.2930 117.2220 66.3979 68.4357 176.4342 22 A 4.1008 7.9875 122.6235 55.3263 18.4421 179.8056 23 I 3.1319 7.6250 118.1581 64.5388 37.1821 178.8171 24 Q 3.9243 8.3273 119.4082 58.6948 28.2248 179.1505 25 G 3.4257 7.8591 105.9422 47.5455 0.0000 175.1882 26 A 3.5453 6.9101 122.2991 54.8082 18.3725 179.5612 27 L 4.0606 7.5243 115.9640 55.5755 41.8631 179.1495 28 D 4.2172 7.8367 117.0720 54.7204 41.0600 177.7511 *35 R 4.3273 8.4449 110.6756 55.0222 32.1698 173.6049 36 P 4.3152 0.0000 0.0000 62.3914 31.9159 176.0756 37 D 4.4113 8.6222 120.9241 55.8283 41.1598 177.6855 38 N 4.3770 9.1903 118.4131 53.9319 36.8469 173.5245 39 Y 5.2195 7.5813 113.3344 55.3643 42.2632 173.3585 40 P 5.3378 0.0000 0.0000 63.6489 32.6190 174.6883 41 H 5.1507 8.8659 115.1662 53.5200 32.5844 172.2711 42 Q 4.5766 8.7876 120.4478 56.5271 29.6576 174.6010 43 Y 4.8223 9.0085 128.1706 57.0588 39.9522 173.9978 44 Y 4.1750 8.2137 127.6922 55.4290 39.4477 174.4900 45 D 3.9200 7.8990 127.9336 53.8142 41.4408 175.1520 46 E 4.3895 8.6001 126.9312 55.1150 30.4580 177.4341 47 A 4.0297 8.7844 127.5579 55.1930 18.7228 178.7295 48 S 4.2567 8.0198 109.5040 61.0612 63.4907 174.6195 49 E 4.3267 7.7015 119.7899 55.9377 30.4347 175.6648 50 D 4.9107 8.1405 116.4981 53.3625 41.2735 176.0835 51 I 4.1277 7.5736 120.0920 61.0482 38.2178 176.1533 52 T 4.2864 8.9285 123.6096 62.0268 69.1977 174.3285 53 L 4.3546 8.1035 127.0035 53.6405 42.9156 175.3308 54 C 4.6410 8.6348 117.4223 55.1029 41.9473 170.7319 55 C 4.9188 7.6810 115.4560 53.8723 44.5567 173.7037 56 G 3.9835 8.2765 113.4258 45.5625 0.0000 173.7507 57 S 4.4527 8.5974 118.9098 57.7994 63.8391 174.3462 58 G 2.2136 7.2009 110.6527 43.2815 0.0000 171.3566 59 P 3.9704 0.0000 0.0000 62.3657 32.7116 175.4424 60 W 5.3262 8.4152 119.6107 55.1458 32.9443 174.6799 61 S 5.1832 8.7736 117.9075 56.7988 66.6395 172.8424 62 E 5.2199 9.2281 121.9070 54.8350 32.4248 174.9648 63 F 5.1774 8.9386 124.2779 55.8778 43.4971 171.8883 64 P 4.2007 0.0000 0.0000 62.3187 31.8863 175.6546 65 L 4.2296 8.1278 126.9184 53.6683 42.3332 175.9747 66 V 4.4334 7.7367 118.3780 59.3344 35.7508 175.2406 67 Y 4.3789 8.2474 118.7899 58.9250 38.5274 175.1117 68 N 4.1991 8.9524 116.5162 54.4177 36.1642 174.6096 69 G 4.0275 7.9593 106.2896 43.9860 0.0000 171.6261 70 P 4.6391 0.0000 0.0000 61.8804 32.1205 175.4261 71 Y 4.1187 8.7438 120.4694 58.4493 38.9870 175.0663 72 Y 4.4270 7.7029 126.4630 55.8605 41.9587 173.9346 73 S 4.4415 6.6788 118.9238 56.9928 66.2787 172.4224 74 S 5.1791 8.5522 118.8038 56.4297 66.4426 175.1382 75 R 4.0697 8.9021 116.2455 59.0208 29.3372 177.6027 76 D 4.5829 8.1060 117.0885 55.4598 42.0315 176.0003 77 N 5.0252 8.1619 117.4472 51.8494 38.5914 172.0633 78 Y 4.9463 7.6815 121.4416 56.0261 40.3219 174.1149 79 V 4.0461 7.5271 126.2307 60.3757 34.0864 175.1229 80 S 4.3121 8.5362 121.5351 57.1555 62.6922 172.3666 81 P 3.5853 0.0000 0.0000 63.1766 31.3612 177.5640 82 G 3.8997 7.7403 108.9574 44.1739 0.0000 171.0807 83 P 4.6069 0.0000 0.0000 64.0446 32.8151 175.4272 84 D 5.4262 7.9281 120.5800 52.7391 43.6969 175.5186 85 R 5.0152 8.7995 120.4547 54.3973 35.0509 174.3523 86 V 4.6775 8.5242 121.7317 60.3994 33.9930 174.6268 87 I 4.9514 8.4483 124.9708 59.6949 39.5175 174.2926 88 Y 5.2221 8.3423 123.7881 54.9759 42.2701 174.1372 89 Q 4.5424 9.2761 122.6815 56.3142 29.4949 176.1971 90 T 3.9699 8.5809 124.6592 67.0100 68.4746 175.2570 91 N 4.6355 8.3585 116.0315 54.5647 39.4110 175.0166 92 T 4.4356 7.7618 105.0519 60.9466 70.6710 175.1639 93 G 3.9235 8.7270 109.2677 45.0168 0.0000 173.1091 94 E 4.1448 8.1591 122.2258 55.9546 30.6476 175.9744 95 F 4.5449 9.0555 129.4481 59.1503 39.8581 174.4271 96 C 4.5381 7.9809 121.8564 57.7552 41.0437 173.5851 97 A 4.3517 5.9987 116.9509 51.2584 22.2567 174.7587 98 T 4.9546 8.1050 109.0328 60.1049 71.6676 173.6746 99 V 4.8111 8.3313 116.5863 60.1488 36.6910 174.0575 100 T 5.1773 8.7382 115.3891 61.2631 70.7592 174.4610 101 H 4.8429 9.4868 123.6262 57.4004 29.2266 175.9419 102 T 4.0672 7.8230 117.5203 64.8294 68.3582 174.7189 103 G 3.8845 9.0309 113.8443 45.4871 0.0000 173.3328 104 A 4.1861 7.7100 121.9644 51.7916 18.8438 178.0729 105 A 4.3335 8.4291 121.7946 53.0861 19.3416 177.5288 106 S 4.7441 7.4862 109.5513 56.2256 66.4299 174.3779 107 Y 3.9891 8.8018 122.0361 60.9141 38.3929 177.0587 108 D 4.2325 7.9973 115.9942 54.7580 41.6259 176.9761 109 G 3.7711 7.6068 109.0847 45.2992 0.0000 172.4700 110 F 5.6919 8.9676 119.0873 55.7088 42.1491 174.8170 111 T 4.8148 8.8914 111.1857 59.7239 72.4863 172.5401 112 Q 4.4022 8.5100 123.5175 55.8396 29.8839 176.2704 113 C 4.7739 8.7465 124.0475 56.7101 40.4443 174.0541 114 S 4.3642 8.7533 113.9380 58.5798 62.7629 174.0535 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 1 C 8.45 4.76 0.00 3.17 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 2 D 8.45 4.41 0.00 2.77 2.62 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 3 I 7.92 2.93 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.34 0.57 0.00 0.00 4 P 0.00 4.42 0.00 2.29 1.98 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 5 Q 8.44 4.16 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 6 S 7.68 4.88 0.00 3.82 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 7 T 9.09 4.94 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 1.33 0.00 0.00 8 N 9.37 5.27 0.00 2.75 2.63 0.00 0.00 7.27 7.21 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 9 C 9.53 5.04 0.00 3.17 3.20 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 10 G 9.64 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 11 G 8.53 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 12 N 8.48 4.55 0.00 3.03 2.40 0.00 0.00 6.40 6.98 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 13 V 8.02 4.58 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 0.79 0.00 0.00 0.91 0.00 0.00 14 Y 9.01 5.16 0.00 2.84 2.71 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 15 S 9.27 5.04 0.00 3.92 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 16 N 8.93 4.24 0.00 2.88 3.23 0.00 0.00 5.55 8.07 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 17 D 8.03 4.28 0.00 2.81 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 18 D 8.21 4.40 0.00 3.01 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 19 I 7.78 3.62 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.82 0.00 0.00 20 N 8.37 4.25 0.00 2.83 2.77 0.00 0.00 7.29 7.11 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 21 T 8.29 3.83 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 1.27 0.00 0.00 22 A 7.99 4.10 1.47 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 23 I 7.63 3.13 1.72 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.52 0.00 0.00 24 Q 8.33 3.92 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 25 G 7.86 3.43 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 0.00 0.00 0.00 26 A 6.91 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.52 4.06 0.00 1.62 1.66 0.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.84 4.22 0.00 2.74 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 *35 R 8.44 4.33 0.00 1.98 2.04 0.00 3.33 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 36 P 0.00 4.32 0.00 2.38 1.90 0.00 4.04 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 2.60 2.59 0.00 37 D 8.62 4.41 0.00 2.92 2.71 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 38 N 9.19 4.38 0.00 2.90 2.47 0.00 0.00 6.77 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 39 Y 7.58 5.22 0.00 2.92 2.80 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 40 P 0.00 5.34 0.00 2.36 2.54 0.00 3.96 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 41 H 8.87 5.15 0.00 3.23 3.45 0.00 5.46 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.79 4.58 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 43 Y 9.01 4.82 0.00 2.97 3.16 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 44 Y 8.21 4.17 0.00 2.94 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 45 D 7.90 3.92 0.00 2.51 2.44 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 46 E 8.60 4.39 0.00 2.27 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 2.57 2.35 0.00 47 A 8.78 4.03 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 48 S 8.02 4.26 0.00 4.01 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 49 E 7.70 4.33 0.00 2.13 2.02 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 2.41 2.30 0.00 50 D 8.14 4.91 0.00 2.56 2.55 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 0.00 0.00 0.00 0.00 51 I 7.57 4.13 1.87 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 1.49 1.00 0.67 0.00 0.00 52 T 8.93 4.29 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 1.15 0.00 0.00 53 L 8.10 4.35 0.00 1.31 1.19 -0.67 0.32 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 54 C 8.63 4.64 0.00 3.05 3.13 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 0.00 55 C 7.68 4.92 0.00 3.16 3.35 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 56 G 8.28 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 57 S 8.60 4.45 0.00 3.90 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 58 G 7.20 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 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 3.97 0.00 1.99 2.02 0.00 3.44 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 60 W 8.42 5.33 0.00 3.55 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 S 8.77 5.18 0.00 2.72 3.47 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 62 E 9.23 5.22 0.00 1.94 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 2.23 2.44 0.00 63 F 8.94 5.18 0.00 3.31 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 64 P 0.00 4.20 0.00 0.90 1.21 0.00 2.20 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 L 8.13 4.23 0.00 1.28 1.07 0.52 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.74 4.43 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 0.71 0.00 0.00 0.99 0.00 0.00 67 Y 8.25 4.38 0.00 3.11 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 68 N 8.95 4.20 0.00 2.95 2.94 0.00 0.00 6.93 7.65 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 69 G 7.96 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 70 P 0.00 4.64 0.00 2.47 2.33 0.00 3.87 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 71 Y 8.74 4.12 0.00 2.59 2.47 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 72 Y 7.70 4.43 0.00 2.95 2.71 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 73 S 6.68 4.44 0.00 3.22 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 74 S 8.55 5.18 0.00 3.94 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 75 R 8.90 4.07 0.00 1.95 2.15 0.00 3.04 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 76 D 8.11 4.58 0.00 2.75 2.81 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 77 N 8.16 5.03 0.00 2.80 2.83 0.00 0.00 6.69 6.88 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 78 Y 7.68 4.95 0.00 3.19 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 79 V 7.53 4.05 1.84 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 0.78 0.00 0.00 0.85 0.00 0.00 80 S 8.54 4.31 0.00 3.99 3.77 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 81 P 0.00 3.59 0.00 1.70 1.26 0.00 4.03 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 82 G 7.74 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 83 P 0.00 4.61 0.00 2.17 2.34 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 2.10 2.04 0.00 84 D 7.93 5.43 0.00 2.63 2.47 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 85 R 8.80 5.02 0.00 1.33 1.60 0.00 3.40 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 86 V 8.52 4.68 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 0.93 0.00 0.00 1.14 0.00 0.00 87 I 8.45 4.95 1.30 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.12 0.35 0.00 0.00 88 Y 8.34 5.22 0.00 3.11 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 89 Q 9.28 4.54 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 90 T 8.58 3.97 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 1.23 0.00 0.00 91 N 8.36 4.64 0.00 2.65 2.82 0.00 0.00 6.73 7.70 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 92 T 7.76 4.44 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 1.29 0.00 0.00 93 G 8.73 3.92 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 0.00 0.00 0.00 94 E 8.16 4.14 0.00 2.20 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 2.37 2.39 0.00 95 F 9.06 4.54 0.00 3.07 3.22 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 0.00 96 C 7.98 4.54 0.00 2.54 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 97 A 6.00 4.35 0.83 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 98 T 8.11 4.95 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 1.37 0.00 0.00 99 V 8.33 4.81 1.59 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 0.32 0.00 0.00 -0.33 0.00 0.00 100 T 8.74 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 1.25 0.00 0.00 101 H 9.49 4.84 0.00 3.15 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.82 4.07 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 0.00 103 G 9.03 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 0.00 104 A 7.71 4.19 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 0.00 105 A 8.43 4.33 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 0.00 106 S 7.49 4.74 0.00 3.97 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 0.00 107 Y 8.80 3.99 0.00 2.89 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 0.00 108 D 8.00 4.23 0.00 2.65 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 0.00 109 G 7.61 3.77 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 0.00 0.00 0.00 110 F 8.97 5.69 0.00 3.14 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 0.00 111 T 8.89 4.81 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 1.26 0.00 0.00 112 Q 8.51 4.40 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 113 C 8.75 4.77 0.00 3.00 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 0.00 114 S 8.75 4.36 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.