NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 4.0956 8.3393 109.7382 45.9850 0.0000 173.7048 -1 H 4.5162 7.5802 118.3647 53.8913 28.2068 169.8574 -1 V 3.9062 7.1902 119.3647 61.0913 32.1068 172.0574 *3 S 4.2814 8.9845 116.8890 58.6902 64.5969 173.0887 4 T 4.4093 8.1999 119.4754 61.8562 69.3769 173.3844 5 P 4.6308 0.0000 0.0000 62.3318 32.6566 175.9114 6 A 4.3054 8.2080 122.1500 52.0682 19.5982 176.5509 7 L 5.4499 8.4506 120.1756 52.9702 45.1209 176.2212 8 R 4.7920 8.8338 118.2404 53.7267 33.2173 172.8788 9 P 4.8854 0.0000 0.0000 62.8459 32.1080 175.4626 10 Y 4.3107 9.1723 124.6967 57.7331 39.8717 174.8836 11 L 4.5158 8.7344 126.5889 51.6557 44.6563 175.6260 12 P 4.0520 0.0000 0.0000 66.2872 30.5840 178.1522 13 E 4.1090 7.8594 115.7353 57.9132 29.7897 177.4213 14 D 4.6771 8.1550 118.7542 54.0056 41.1486 177.6420 15 A 4.2765 7.9363 124.8602 54.6950 18.3976 179.9965 16 A 3.9564 7.9173 118.4091 55.4342 18.6922 180.1738 17 V 3.6609 7.7518 110.3930 64.6500 31.6456 178.9049 18 T 3.7429 8.0134 115.6091 66.4864 68.2632 176.7222 19 A 3.5984 7.9332 122.0490 54.8762 18.4216 179.5914 20 A 3.9792 8.0792 119.4654 55.3331 18.4127 179.9831 21 I 3.9064 8.1027 118.5153 64.2720 37.1995 178.4889 22 F 4.0453 8.3745 121.5151 61.5428 39.2711 177.7628 23 V 3.2660 7.8558 111.8433 64.1311 31.2840 178.5455 24 A 3.8736 7.8714 120.2805 54.9004 18.1866 179.6018 25 S 3.9142 8.1037 111.7974 61.4913 62.0195 176.5643 26 I 2.9690 7.1045 122.2151 64.0868 36.4977 177.9386 27 E 3.7100 7.6454 117.9902 59.7871 29.4909 179.2736 28 Q 4.2359 7.7528 115.1849 56.9626 29.1841 177.1639 29 L 4.6843 7.5963 117.6893 54.4057 42.9312 177.1747 30 T 4.7066 7.2516 108.6792 61.3944 68.4673 175.5724 31 A 4.2431 7.9900 126.0742 55.6189 18.6458 179.4313 32 D 4.4730 8.0916 113.7615 56.1210 41.1713 176.4851 33 D 4.7528 7.5992 116.7953 53.6625 42.8699 175.5061 34 Y 4.9157 7.9775 116.6032 55.2316 41.8264 175.9965 35 S 4.5330 9.7595 120.3111 57.8978 65.3658 175.7577 36 E 4.0019 8.4454 121.6499 59.8974 29.6077 179.5245 37 E 4.2319 8.2248 119.6717 58.6237 29.6376 179.0376 38 Q 4.0961 8.1373 117.7033 59.2872 28.9156 178.6957 39 Q 4.1261 8.3446 118.9242 59.1237 28.7959 178.9551 40 E 3.9687 8.1632 119.2419 59.1696 29.2765 179.2759 41 A 4.0396 7.8583 119.8987 54.8431 18.6744 178.9469 42 W 4.5137 8.4716 126.8163 61.0799 30.7718 178.0993 43 A 3.8281 8.2679 120.5853 54.7771 17.8001 179.1373 44 S 4.3036 8.0245 111.1857 60.2437 62.7970 176.2029 45 A 4.1584 7.9277 124.5112 54.9437 18.2471 178.6095 46 A 3.2424 7.7600 117.1086 52.9451 18.5164 178.9492 47 D 4.5599 7.6551 117.9352 56.4561 42.0493 177.6069 48 D 4.6042 7.8145 121.7923 52.9613 39.9322 175.8361 49 E 3.9692 8.5223 124.9842 59.1150 29.7164 178.5100 50 A 3.9909 7.9719 120.0830 55.0793 18.6392 179.3900 51 K 3.9288 8.1490 117.5990 59.1094 32.2472 178.6518 52 F 3.9391 8.7144 121.3068 61.2655 39.2512 177.0097 53 A 3.9084 8.3687 120.2953 55.0850 18.2816 179.4211 54 A 3.9155 8.3352 119.6750 55.2254 18.1794 179.8600 55 R 3.7592 7.5125 116.0688 59.3555 30.4317 178.5862 56 L 3.8192 7.1783 118.9290 57.7827 41.3799 179.7188 57 S 4.5745 8.2998 112.7725 60.4897 63.1506 175.5148 58 G 3.9819 7.7109 106.9246 44.5528 0.0000 172.4847 59 Q 4.7250 7.5211 119.1020 53.9616 32.5111 175.1545 60 L 4.5148 8.6414 120.2659 54.3299 42.4552 175.9798 61 T 5.1614 8.4306 120.9339 61.6087 71.4994 173.3142 62 L 5.3041 9.0437 126.3987 53.0036 45.2519 175.4062 63 I 5.1447 9.0678 123.1221 59.5508 40.0101 174.5453 64 A 5.0616 9.2594 130.0379 51.4220 20.2510 176.1935 65 T 5.0899 9.0718 112.8519 59.8120 72.4185 173.1691 66 L 4.6842 8.4899 122.5287 53.8830 45.7590 176.9203 67 Q 3.3167 9.9300 121.8769 56.9727 26.4791 175.0033 68 G 3.8820 8.2869 102.8589 45.7761 0.0000 174.1035 69 V 4.1745 7.7718 120.7436 58.8678 32.7675 173.8717 70 P 4.7062 0.0000 0.0000 62.9307 31.6735 176.4207 71 V 4.2234 8.8277 114.6849 59.9889 33.6345 175.1477 72 G 4.5664 7.5875 106.7017 46.2328 0.0000 172.2613 73 F 5.6559 8.6002 115.0375 55.7490 41.8140 172.9029 74 A 4.8647 9.0642 120.3586 50.7850 23.3683 175.1760 75 S 4.9480 8.4631 113.0327 56.7293 66.1201 172.2485 76 L 4.9958 9.1642 130.2091 53.7918 43.6870 174.7783 77 K 4.5154 9.4015 128.4203 55.9398 33.9899 177.2789 78 G 4.0774 8.7027 115.5785 45.5522 0.0000 171.4815 79 P 4.4375 0.0000 0.0000 65.5008 31.9003 176.8983 80 D 4.8528 7.9913 114.7571 52.9120 42.0403 174.0685 81 H 5.2108 8.3892 117.6530 54.6406 30.7110 174.3369 82 I 4.4194 8.8877 125.9448 61.0630 36.2398 175.5980 83 D 4.3912 9.2054 127.6952 55.5860 41.8947 175.7898 *85 L 3.9419 7.7711 118.8170 55.5824 43.0370 175.7198 86 Y 4.4038 8.2922 124.7373 56.5596 41.8658 174.3823 87 V 4.6750 8.1911 124.5781 60.8895 33.6590 175.0947 88 H 4.2904 9.3228 127.9720 55.5717 30.3548 174.4304 89 P 4.2315 0.0000 0.0000 65.9665 31.0664 177.1246 90 D 4.3826 8.1978 116.4571 55.9532 40.8673 176.0655 91 Y 4.7380 7.9247 115.5583 57.4785 39.1668 176.1006 92 V 3.8437 7.8089 113.2712 62.1180 32.2819 175.7467 93 G 3.9657 8.7323 107.6325 47.0314 0.0000 174.3664 94 R 4.5615 7.6408 115.0608 54.9832 31.6283 175.7405 95 D 4.6161 8.3450 115.5453 55.4883 38.8308 176.1684 96 V 3.6452 7.5246 120.5914 66.0873 31.4291 177.8401 97 G 3.5906 8.1012 104.9788 48.2848 0.0000 175.3295 98 T 4.0037 8.0754 117.9337 66.5954 68.6560 176.5272 99 T 3.8947 7.8651 117.4113 66.6983 68.5852 176.5550 100 L 4.0279 8.0806 120.6774 58.0441 41.6491 179.7993 101 I 3.8659 8.0987 119.8336 64.3592 37.0683 177.9925 102 D 4.4208 8.5163 119.9297 57.5948 40.6994 178.9404 103 A 4.0615 8.0037 120.6876 55.2075 18.3127 179.7287 104 L 4.0299 7.9953 117.3497 57.9826 41.6432 179.6127 105 E 4.0178 8.5467 118.7744 59.0835 29.3036 179.2888 106 K 3.9186 8.1840 119.7322 59.4848 32.1075 178.5391 107 L 3.9295 7.8574 118.9956 58.1878 42.2498 178.5223 108 A 4.2792 8.4314 120.9588 54.8034 18.4998 179.6842 109 G 3.6146 8.5152 104.5299 47.9876 0.0000 175.3597 110 A 4.3408 8.0773 120.5558 53.1050 18.4095 177.9252 111 R 4.4708 8.1185 116.4764 55.6844 30.9235 176.1356 112 G 3.9687 8.4776 108.4553 45.5766 0.0000 175.0342 113 A 4.0040 6.8489 120.3005 52.9279 18.8611 176.8864 114 L 4.6197 8.5616 119.7788 54.7979 45.2399 175.7246 115 I 4.7087 7.5971 117.7990 59.0641 39.4307 175.4959 116 L 4.4446 8.6583 128.0742 54.9008 43.0055 176.4473 117 T 5.1495 9.3264 116.8573 60.4529 71.3631 172.8779 118 V 4.5211 8.0658 125.0657 60.3645 35.1293 173.9435 119 D 4.9446 8.6031 123.6577 53.0605 40.4072 174.7707 120 A 4.2967 9.1154 126.1583 50.6898 20.1178 177.4155 121 S 4.5282 8.7303 116.7493 58.0918 64.2756 175.1699 122 D 4.4892 9.3416 122.4146 57.5028 40.2163 178.8681 123 N 4.6140 8.5542 116.0917 54.8901 38.0117 176.0477 124 A 4.5340 8.0208 121.1014 51.8725 19.5507 178.2992 125 A 4.0961 7.5410 119.5854 55.3111 18.4719 179.5932 126 E 3.8775 8.2711 117.0018 59.3058 29.6407 178.1217 127 F 3.9174 8.3333 119.0847 61.8067 39.5400 176.9274 128 F 4.0467 8.4714 116.7211 60.3167 38.7703 177.5922 129 A 4.8130 8.1217 121.9014 54.6616 18.0195 179.4560 130 K 4.2147 8.0147 114.9357 57.9884 32.0472 177.9234 131 R 4.4527 7.6805 118.2317 55.8487 30.5628 176.8920 132 G 3.9063 8.1500 104.7672 45.6496 0.0000 173.9793 133 Y 4.3149 7.9743 118.1383 57.4534 38.6967 174.2301 134 V 4.7587 8.4115 124.6135 60.5477 33.6617 175.0855 135 A 4.1940 8.8471 130.0048 52.7337 18.1042 176.6246 136 K 4.4309 9.3463 122.4492 57.5756 34.9809 177.2000 137 Q 4.4345 7.5943 120.6328 54.8833 32.3720 173.4003 138 R 4.5890 8.6531 127.7655 56.2364 31.0725 174.8950 139 N 5.1734 9.5423 122.6509 51.7592 43.4208 173.0598 140 T 5.0593 8.2860 116.0170 61.7312 71.6070 174.0582 141 V 4.3367 8.8395 125.5284 59.8621 34.4183 174.4908 142 S 5.3686 8.5793 118.4747 57.2324 63.4662 173.2561 143 I 4.4929 8.7954 128.4333 60.6230 39.9173 175.3084 144 N 4.2122 10.0901 125.2172 54.6907 37.2317 174.6577 145 G 3.9633 8.4836 101.8728 45.4933 0.0000 173.1702 146 E 4.7982 8.3647 119.2689 54.1730 32.9211 174.8100 147 W 5.5857 8.6527 121.5953 55.3638 31.3254 175.6915 148 L 5.0702 8.8474 123.1214 52.9176 45.1817 176.0405 149 A 4.8447 8.9782 125.2850 52.2685 19.8550 175.7774 150 N 5.0976 8.7991 116.5003 52.5974 41.7045 173.0573 151 T 5.0401 8.6865 114.5831 62.0821 72.3165 174.7771 152 T 5.0938 9.3610 123.3120 62.9833 70.2244 173.6249 *154 T 4.6323 8.2078 112.1240 61.6650 70.8090 172.5586 155 K 4.4937 8.5868 124.2802 54.3511 35.2471 175.1140 156 S 4.6353 8.6091 122.4732 58.2372 63.2562 173.6505 157 L 4.3064 8.9556 126.6571 54.9069 41.1689 176.5053 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 -2 G 8.34 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 -1 H 7.58 4.52 0.00 3.26 2.61 0.00 5.76 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 V 7.19 3.91 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 *3 S 8.98 4.28 0.00 3.95 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 4 T 8.20 4.41 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 5 P 0.00 4.63 0.00 2.10 2.05 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 6 A 8.21 4.31 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 7 L 8.45 5.45 0.00 1.52 1.58 0.99 0.87 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 8 R 8.83 4.79 0.00 1.85 1.97 0.00 2.78 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 9 P 0.00 4.89 0.00 1.98 2.08 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 10 Y 9.17 4.31 0.00 3.00 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 11 L 8.73 4.52 0.00 1.55 1.52 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.05 0.00 2.16 2.24 0.00 3.50 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 1.97 1.98 0.00 13 E 7.86 4.11 0.00 1.86 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 2.26 2.39 0.00 14 D 8.15 4.68 0.00 2.64 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 15 A 7.94 4.28 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 16 A 7.92 3.96 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 17 V 7.75 3.66 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 0.88 0.00 0.00 1.00 0.00 0.00 18 T 8.01 3.74 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 -0.09 0.00 0.00 19 A 7.93 3.60 1.07 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 0.00 0.00 20 A 8.08 3.98 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 21 I 8.10 3.91 2.19 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 1.60 0.80 1.26 0.00 0.00 22 F 8.37 4.05 0.00 3.35 3.19 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 23 V 7.86 3.27 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 0.75 0.00 0.00 0.87 0.00 0.00 24 A 7.87 3.87 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 25 S 8.10 3.91 0.00 4.13 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 26 I 7.10 2.97 1.26 0.00 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.22 0.00 0.00 27 E 7.65 3.71 0.00 1.81 1.95 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 2.26 2.40 0.00 28 Q 7.75 4.24 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 29 L 7.60 4.68 0.00 1.65 1.63 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.25 4.71 4.67 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 1.07 0.00 0.00 31 A 7.99 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 32 D 8.09 4.47 0.00 2.70 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 33 D 7.60 4.75 0.00 2.68 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 34 Y 7.98 4.92 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.76 4.53 0.00 4.06 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 36 E 8.45 4.00 0.00 2.21 2.27 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 2.40 2.42 0.00 37 E 8.22 4.23 0.00 2.07 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 0.00 2.41 2.41 0.00 38 Q 8.14 4.10 0.00 2.53 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 39 Q 8.34 4.13 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 40 E 8.16 3.97 0.00 2.16 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 2.33 2.42 0.00 41 A 7.86 4.04 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 42 W 8.47 4.51 0.00 3.41 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 43 A 8.27 3.83 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 44 S 8.02 4.30 0.00 4.28 4.42 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 45 A 7.93 4.16 1.60 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 46 A 7.76 3.24 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 47 D 7.66 4.56 0.00 2.88 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 48 D 7.81 4.60 0.00 2.73 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 49 E 8.52 3.97 0.00 2.06 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 2.37 2.54 0.00 50 A 7.97 3.99 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 51 K 8.15 3.93 0.00 1.90 2.04 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.50 7.81 52 F 8.71 3.94 0.00 3.24 3.09 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 53 A 8.37 3.91 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 54 A 8.34 3.92 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 55 R 7.51 3.76 0.00 1.83 1.85 0.00 3.19 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 56 L 7.18 3.82 0.00 1.27 0.54 0.33 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.30 4.57 0.00 4.11 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 0.00 58 G 7.71 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 59 Q 7.52 4.72 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 60 L 8.64 4.51 0.00 1.64 1.67 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.43 5.16 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 1.15 0.00 0.00 62 L 9.04 5.30 0.00 1.65 1.61 0.97 0.73 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 63 I 9.07 5.14 1.96 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 1.33 1.10 1.03 0.00 0.00 64 A 9.26 5.06 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 65 T 9.07 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 1.24 0.00 0.00 66 L 8.49 4.68 0.00 1.40 1.53 0.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 9.93 3.32 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.22 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 68 G 8.29 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 69 V 7.77 4.17 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 0.70 0.00 0.00 0.88 0.00 0.00 70 P 0.00 4.71 0.00 2.08 2.07 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 71 V 8.83 4.22 1.61 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 -0.23 0.00 0.00 0.86 0.00 0.00 72 G 7.59 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 73 F 8.60 5.66 0.00 3.29 3.19 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 74 A 9.06 4.86 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 75 S 8.46 4.95 0.00 3.98 3.72 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 76 L 9.16 5.00 0.00 1.83 1.56 1.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 K 9.40 4.52 0.00 1.83 1.66 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.37 7.81 78 G 8.70 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 79 P 0.00 4.44 0.00 2.20 2.21 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 80 D 7.99 4.85 0.00 2.88 2.82 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 81 H 8.39 5.21 0.00 3.36 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.89 4.42 1.81 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.98 0.00 0.00 83 D 9.21 4.39 0.00 2.67 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 *85 L 7.77 3.94 0.00 1.64 1.32 0.28 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.29 4.40 0.00 2.51 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 87 V 8.19 4.67 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 0.89 0.00 0.00 0.83 0.00 0.00 88 H 9.32 4.29 0.00 3.38 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.23 0.00 2.24 2.10 0.00 3.25 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.05 0.00 90 D 8.20 4.38 0.00 2.62 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 91 Y 7.92 4.74 0.00 2.98 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 92 V 7.81 3.84 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 0.73 0.00 0.00 0.99 0.00 0.00 93 G 8.73 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 0.00 0.00 0.00 94 R 7.64 4.56 0.00 2.10 1.94 0.00 3.33 0.00 0.00 3.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 95 D 8.34 4.62 0.00 2.92 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 96 V 7.52 3.65 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 1.02 0.00 0.00 1.02 0.00 0.00 97 G 8.10 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 0.00 0.00 0.00 98 T 8.08 4.00 4.30 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 1.25 0.00 0.00 99 T 7.87 3.89 4.42 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 1.24 0.00 0.00 100 L 8.08 4.03 0.00 1.89 1.73 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.10 3.87 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.99 1.17 0.00 0.00 102 D 8.52 4.42 0.00 2.88 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 0.00 103 A 8.00 4.06 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 0.00 104 L 8.00 4.03 0.00 1.99 1.81 0.99 0.96 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 0.00 105 E 8.55 4.02 0.00 2.07 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 0.00 2.48 2.71 0.00 106 K 8.18 3.92 0.00 1.86 2.00 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 107 L 7.86 3.93 0.00 1.96 1.85 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.43 4.28 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 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 0.00 110 A 8.08 4.34 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 0.00 111 R 8.12 4.47 0.00 2.04 1.90 0.00 3.18 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 112 G 8.48 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 0.00 0.00 0.00 113 A 6.85 4.00 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 0.00 114 L 8.56 4.62 0.00 1.56 1.65 0.91 0.82 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 0.00 115 I 7.60 4.71 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.86 0.00 0.00 116 L 8.66 4.44 0.00 1.57 1.70 1.11 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 117 T 9.33 5.15 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 1.07 0.00 0.00 118 V 8.07 4.52 1.61 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 -0.29 0.00 0.00 0.40 0.00 0.00 119 D 8.60 4.94 0.00 2.51 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 0.00 120 A 9.12 4.30 1.12 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 0.00 0.00 0.00 121 S 8.73 4.53 0.00 4.28 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 0.00 122 D 9.34 4.49 0.00 2.70 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 0.00 123 N 8.55 4.61 0.00 2.98 3.28 0.00 0.00 5.90 7.26 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 0.00 124 A 8.02 4.53 1.46 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 0.00 125 A 7.54 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.27 3.88 0.00 2.14 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 2.45 0.00 127 F 8.33 3.92 0.00 2.92 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 0.00 128 F 8.47 4.05 0.00 3.12 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 0.00 129 A 8.12 4.81 1.46 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 0.00 130 K 8.01 4.21 0.00 1.68 1.79 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.56 7.81 131 R 7.68 4.45 0.00 1.94 1.90 0.00 3.15 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.00 132 G 8.15 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 0.00 133 Y 7.97 4.31 0.00 3.27 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 0.00 134 V 8.41 4.76 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 0.76 0.00 0.00 0.98 0.00 0.00 135 A 8.85 4.19 1.26 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 0.00 0.00 136 K 9.35 4.43 0.00 1.57 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.48 7.81 137 Q 7.59 4.43 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.11 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 138 R 8.65 4.59 0.00 1.85 1.79 0.00 3.22 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 139 N 9.54 5.17 0.00 2.62 2.57 0.00 0.00 6.44 6.91 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 0.00 140 T 8.29 5.06 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 0.96 0.00 0.00 141 V 8.84 4.34 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 0.68 0.00 0.00 0.88 0.00 0.00 142 S 8.58 5.37 0.00 4.03 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 0.00 143 I 8.80 4.49 1.92 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 1.20 0.61 1.04 0.00 0.00 144 N 10.09 4.21 0.00 2.82 2.87 0.00 0.00 7.27 7.98 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 0.00 145 G 8.48 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 0.00 0.00 0.00 146 E 8.36 4.80 0.00 2.07 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 2.24 2.58 0.00 147 W 8.65 5.59 0.00 3.20 2.96 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 0.00 148 L 8.85 5.07 0.00 1.54 1.45 0.99 0.05 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 0.00 149 A 8.98 4.84 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 0.00 150 N 8.80 5.10 0.00 2.92 2.84 0.00 0.00 6.89 6.78 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 0.00 151 T 8.69 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 1.27 0.00 0.00 152 T 9.36 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 *154 T 8.21 4.63 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 1.20 0.00 0.00 155 K 8.59 4.49 0.00 0.79 0.81 0.00 1.12 0.00 0.00 1.24 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.02 1.13 7.81 156 S 8.61 4.64 0.00 3.86 3.68 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 0.00 157 L 8.96 4.31 0.00 1.64 1.53 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.