NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.3089 8.3001 118.7933 54.4419 33.5028 174.4353 2 A 4.2228 8.2929 122.4585 51.0841 20.5320 174.9426 3 N 4.3974 8.1280 111.6623 53.1020 43.5404 175.3514 4 L 4.7048 8.1695 126.8242 53.2663 41.7279 180.9402 5 E 5.0233 8.3214 128.3366 59.4830 34.1445 174.8798 6 R 4.7705 7.8751 119.5976 57.5169 32.7994 174.7108 7 T 4.7336 8.4943 118.5072 60.8582 71.7580 171.8622 8 F 5.1747 8.8497 128.0063 56.8107 41.3390 174.1602 9 I 4.4722 8.0753 127.0792 59.2076 40.0562 174.5209 10 A 4.6995 8.4661 128.0723 49.9705 22.3298 174.7917 11 I 4.4632 8.7802 124.3155 59.7425 38.4932 176.1106 12 K 4.3915 8.8126 127.2665 55.6651 33.0386 176.5800 13 P 4.5303 0.0000 0.0000 65.4354 31.1841 178.6774 14 D 4.4960 8.2921 117.2841 56.3967 39.4422 178.6910 15 G 3.6008 8.1711 107.2763 47.3634 0.0000 176.0139 16 V 3.6281 7.7169 120.0048 66.1544 31.6092 177.9384 17 Q 4.0677 8.1606 116.5401 58.7593 28.5819 178.3517 18 R 4.4061 7.9996 116.4870 54.8081 31.2324 176.4632 19 G 3.8705 8.1885 106.7841 47.3856 0.0000 174.4164 20 L 4.4264 7.8048 114.3800 54.1868 43.1493 179.5650 21 V 3.6688 7.8962 120.3039 66.1014 31.4214 178.1277 22 G 3.6276 7.9993 104.8467 47.8476 0.0000 175.0899 23 E 3.9749 8.0541 120.7211 59.1577 29.3820 179.4386 24 I 3.7759 7.7393 119.4876 64.4906 37.2536 178.4921 25 I 3.9498 8.0428 120.7397 64.3728 37.0072 178.0644 26 K 4.0355 8.4353 120.8039 59.9452 31.7073 178.6295 27 R 4.0302 7.7387 116.4716 59.5218 30.1582 178.7904 28 F 3.7852 7.8764 117.4520 60.1435 38.6377 177.6181 29 E 4.1528 8.3045 118.4783 59.5557 29.2272 179.4156 30 Q 4.0929 8.2726 115.9429 58.5034 28.5894 177.8459 31 K 3.9167 7.3118 121.3117 57.5349 32.2502 177.2145 32 G 3.9568 7.5584 105.7694 45.1377 0.0000 173.6923 33 F 5.1754 7.6767 117.9098 56.7775 40.2617 174.7636 34 R 4.9849 9.0062 119.2065 54.2479 32.0324 174.7809 35 L 3.0549 8.5465 124.9616 54.9081 41.7094 176.3020 36 V 3.9187 8.5360 128.4641 65.3730 32.7720 175.6629 37 A 4.7668 7.1491 119.4522 51.0444 22.5814 174.9546 38 M 5.4280 8.3798 119.1767 54.4483 35.4075 173.9927 39 K 4.8720 9.5676 124.4559 55.4444 36.8333 174.4640 40 F 5.5170 8.6868 124.2874 56.6900 41.1247 174.3553 41 L 4.2132 8.2047 124.3478 55.2809 44.2461 174.2477 42 R 4.3513 8.3303 120.4281 54.0628 29.5474 175.2783 43 A 3.9524 8.4676 128.7019 51.8395 18.9456 178.0870 44 S 4.4389 8.3843 118.4559 58.2686 65.1954 175.1753 45 E 3.9159 8.7502 122.8106 59.5834 29.2269 179.3894 46 E 3.8886 8.0449 118.7818 59.6746 29.8945 178.0689 47 H 3.9798 7.9967 117.9401 59.3535 29.7172 177.1911 48 L 4.0103 8.2064 120.9897 57.5918 41.2315 179.5317 49 K 4.3670 8.1280 117.8433 59.6337 32.1476 179.1101 50 Q 4.1408 8.0791 118.3026 59.2663 28.4244 178.2544 51 H 4.0622 7.9247 118.0913 58.3696 30.0191 175.8555 52 Y 5.0150 8.0418 117.8187 57.7352 38.9783 177.7090 53 I 3.6904 7.5782 123.9860 64.7862 37.1014 177.3583 54 D 4.5679 8.1535 116.2370 56.0521 41.1191 176.6569 55 L 4.7756 8.3279 119.4375 54.0712 42.6165 178.3874 56 K 2.4800 7.7328 119.5656 58.2765 32.3941 177.2633 57 D 4.8057 7.5827 118.9739 54.0298 41.6300 175.7443 58 R 4.4011 7.2403 117.5054 53.4091 32.4676 175.2687 59 P 4.1664 0.0000 0.0000 65.9507 31.5009 178.5085 60 F 4.4338 7.7632 112.7640 59.5504 37.7526 177.2274 61 F 4.0508 7.7054 121.8741 60.8020 39.3287 175.5143 62 P 4.1921 0.0000 0.0000 65.5362 31.2267 178.8254 63 G 3.6590 8.0724 103.8424 47.7613 0.0000 175.0556 64 L 3.8133 8.1885 123.4710 57.8683 41.7360 179.4025 65 V 3.5111 7.3440 116.8952 65.7816 31.6321 177.5289 66 K 4.0406 8.0502 119.4275 59.9817 31.9578 177.4841 67 Y 4.0146 8.6840 119.9505 61.2747 38.5016 177.8219 68 M 4.3591 8.5867 120.0572 57.2722 31.0000 177.1160 69 N 4.9200 7.8666 116.8279 53.8782 39.5568 176.3568 70 S 4.5605 8.3180 115.3950 60.8443 63.2143 173.8552 71 G 4.1925 6.9252 108.0428 43.1469 0.0000 170.4462 72 P 4.4684 0.0000 0.0000 62.7145 32.7155 175.7171 73 V 4.7188 8.9651 114.4144 59.6277 36.1431 174.7489 74 V 4.8304 8.5322 121.8614 61.4577 33.4450 174.0528 75 A 4.6422 8.9169 130.8177 50.8550 20.9578 175.6191 76 M 5.3925 8.7436 120.9159 53.8041 37.6056 174.1958 77 V 4.7021 8.1341 119.4276 60.9773 34.8270 174.1469 78 W 5.1335 9.0839 127.4907 54.8442 32.3094 174.2106 79 E 4.9011 10.2855 125.3667 53.6896 32.1436 175.2551 80 G 4.8578 8.4813 116.2466 44.6828 0.0000 171.2740 81 L 3.8987 8.4993 122.0668 56.2166 41.9709 175.8682 82 N 4.5362 8.8346 123.7394 54.7477 37.4751 175.8634 83 V 3.0702 7.7542 118.0422 65.6598 31.3929 177.6682 84 V 3.5404 8.0696 117.4345 65.9212 31.4714 177.8709 85 K 3.9474 7.9627 118.8477 59.8460 32.1825 178.7527 86 T 4.0542 8.1181 110.2855 64.6045 68.7258 176.4043 87 G 3.7697 8.3674 109.0697 47.9631 0.0000 175.8409 88 R 4.0145 7.9133 120.2656 58.7326 29.7869 179.3409 89 V 3.5961 7.3745 116.9607 66.3147 31.7688 177.7437 90 M 4.1233 8.3487 118.7354 58.2848 31.7254 178.7691 91 L 4.0717 7.9526 119.4504 55.9055 41.7994 177.6721 92 G 3.9732 8.0537 104.0742 44.0549 0.0000 172.5905 93 E 4.1892 8.0507 117.2042 56.3241 29.8753 178.8548 94 T 4.0084 8.4875 118.3139 65.9837 68.9099 173.9546 95 N 4.6753 7.5604 119.8893 51.2654 38.7268 173.4778 96 P 4.3073 0.0000 0.0000 65.4741 31.6616 178.7071 97 A 4.0066 8.5442 120.6555 54.4025 18.2984 177.7702 98 D 4.7617 8.0698 113.7290 54.3675 41.9749 176.8833 99 S 4.3049 7.4480 116.6943 58.3856 63.3102 174.5107 100 K 4.2810 8.6383 124.1887 55.1911 33.4737 174.7094 101 P 4.2897 0.0000 0.0000 64.1629 31.2205 176.0102 102 G 3.9661 8.9085 112.6234 45.9700 0.0000 174.9087 103 T 4.4559 7.6348 110.4261 60.1917 71.7613 175.7282 104 I 3.8646 8.2251 123.0044 65.0485 37.2504 179.1236 105 R 4.1206 8.1933 118.6704 59.2721 29.7255 179.4760 106 G 3.5998 7.8824 104.2979 47.3675 0.0000 174.7465 107 D 4.3059 7.9258 120.0829 55.1773 41.3392 177.2438 108 F 5.0252 7.8804 115.3854 57.2475 40.6466 174.6194 109 C 5.0319 8.1747 114.0505 56.6567 32.8643 173.1973 110 I 4.2669 8.4753 117.9374 62.6518 38.9013 176.0676 111 Q 4.5580 7.6277 120.4896 54.1298 30.5333 176.3398 112 V 3.5741 8.4271 123.4747 65.8680 31.9613 177.4973 113 G 3.7855 8.2584 107.7762 48.0851 0.0000 173.9829 114 R 4.6629 7.4926 119.5701 54.2654 29.2375 175.2707 115 N 4.8538 7.9702 116.5048 52.4168 38.6519 177.5114 116 I 2.8848 8.4122 111.4446 63.8241 38.8115 172.9180 117 I 5.0878 8.5569 118.7799 59.9046 41.5762 173.4455 118 H 5.0108 9.4802 125.2347 54.2836 33.1551 172.2906 119 G 4.3271 8.3198 110.9979 43.9945 0.0000 172.4375 120 S 4.5877 8.3949 120.1435 58.7535 63.5042 175.3779 121 D 4.5619 8.9858 122.9512 55.1681 40.1149 176.4871 122 S 4.5944 7.4567 113.3293 56.5119 66.5259 176.2067 123 V 3.5848 8.2134 115.9492 64.4703 30.7064 178.8035 124 K 3.9808 7.9725 118.9695 59.6287 32.1372 179.0013 125 S 4.1922 8.1171 114.9370 61.1715 62.6902 176.2154 126 A 4.3629 8.6175 125.3433 54.8878 18.1651 179.6226 127 E 3.9912 8.2515 116.7329 59.4114 29.4232 179.5966 128 K 3.9075 7.7648 117.5414 59.5217 32.1850 178.8838 129 E 3.9019 8.6162 118.8540 59.7757 29.4821 179.5496 130 I 4.0281 8.1352 119.8921 64.8767 36.9563 178.7141 131 S 4.2738 7.9770 114.8636 61.4479 62.7464 176.1736 132 L 4.0267 7.9609 122.3673 57.4845 41.8866 178.2975 133 W 4.3003 8.6844 117.7520 56.5275 29.8547 176.4332 134 F 5.2148 8.1600 116.0422 55.4261 41.7965 174.5931 135 K 4.5865 9.3875 123.0603 54.2149 33.6761 176.1874 136 P 4.2726 0.0000 0.0000 66.1844 30.9118 177.4873 137 E 4.2198 8.1314 116.4831 57.3469 29.6903 176.6857 138 E 4.2187 8.5417 117.2430 58.5610 30.0689 176.3010 139 L 4.2826 7.5822 118.5129 53.8940 41.5607 176.8901 140 V 3.9417 8.5433 125.4762 62.5245 32.4123 174.9566 141 D 5.0911 8.7749 127.5849 52.8012 42.6307 174.9797 142 Y 4.8257 8.0624 120.3884 55.5569 41.2400 173.6251 143 K 4.4104 8.4432 120.6123 53.9315 34.5319 175.5939 144 S 4.4411 8.5540 121.4484 58.2909 63.4809 175.0945 145 C 4.2211 8.9686 118.7449 60.5047 29.6838 174.0911 146 A 4.8679 7.9807 122.0736 52.2856 19.2627 177.3983 147 H 4.1151 8.4197 119.8178 60.6109 29.5994 176.9556 148 D 4.3327 8.0753 117.2823 55.7546 40.7808 177.3468 149 W 4.7149 8.0098 118.3917 57.1102 29.8314 177.3517 150 V 3.9134 7.4255 116.8384 63.4190 31.7911 174.7335 151 Y 4.4450 7.7626 120.3954 58.0160 38.4302 175.0733 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 M 8.30 4.31 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 2 A 8.29 4.22 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 3 N 8.13 4.40 0.00 2.59 2.62 0.00 0.00 6.99 7.78 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 4 L 8.17 4.70 0.00 1.63 0.72 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.32 5.02 0.00 2.27 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 2.17 2.03 0.00 6 R 7.88 4.77 0.00 1.77 1.75 0.00 3.19 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 7 T 8.49 4.73 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 8 F 8.85 5.17 0.00 3.25 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 9 I 8.08 4.47 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.25 0.59 0.00 0.00 10 A 8.47 4.70 0.71 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 11 I 8.78 4.46 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.99 0.00 0.00 12 K 8.81 4.39 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.45 7.81 13 P 0.00 4.53 0.00 2.27 2.19 0.00 4.00 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 14 D 8.29 4.50 0.00 2.94 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 15 G 8.17 3.60 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 0.00 16 V 7.72 3.63 2.33 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 1.38 0.00 0.00 1.20 0.00 0.00 17 Q 8.16 4.07 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 18 R 8.00 4.41 0.00 1.87 1.96 0.00 3.35 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 19 G 8.19 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.43 0.00 1.67 1.27 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.67 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 1.15 0.00 0.00 0.96 0.00 0.00 22 G 8.00 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 0.00 0.00 0.00 23 E 8.05 3.97 0.00 1.82 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 2.32 2.16 0.00 24 I 7.74 3.78 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 1.05 0.00 0.00 25 I 8.04 3.95 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.17 1.23 0.00 0.00 26 K 8.44 4.04 0.00 1.96 2.10 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 27 R 7.74 4.03 0.00 1.95 1.81 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 28 F 7.88 3.79 0.00 2.16 1.45 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 29 E 8.30 4.15 0.00 2.32 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 0.00 2.76 2.86 0.00 30 Q 8.27 4.09 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.53 2.28 0.00 31 K 7.31 3.92 0.00 1.50 1.72 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.76 0.45 7.81 32 G 7.56 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 33 F 7.68 5.18 0.00 3.29 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 34 R 9.01 4.98 0.00 1.80 2.12 0.00 2.63 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 35 L 8.55 3.05 0.00 1.19 1.41 0.74 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.54 3.92 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 0.86 0.00 0.00 0.82 0.00 0.00 37 A 7.15 4.77 0.65 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 0.00 0.00 38 M 8.38 5.43 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 39 K 9.57 4.87 0.00 1.91 2.00 0.00 1.22 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.30 1.44 7.81 40 F 8.69 5.52 0.00 2.94 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 41 L 8.20 4.21 0.00 1.67 1.68 0.87 0.66 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 42 R 8.33 4.35 0.00 1.68 1.84 0.00 3.21 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 A 8.47 3.95 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 44 S 8.38 4.44 0.00 4.02 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 45 E 8.75 3.92 0.00 2.02 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 2.39 2.37 0.00 46 E 8.04 3.89 0.00 2.01 1.90 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 2.35 2.36 0.00 47 H 8.00 3.98 0.00 3.04 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.21 4.01 0.00 1.92 1.90 1.14 1.55 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 49 K 8.13 4.37 0.00 2.01 2.18 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.85 7.81 50 Q 8.08 4.14 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 51 H 7.92 4.06 0.00 3.00 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.04 5.02 0.00 3.58 3.29 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 53 I 7.58 3.69 1.87 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 1.53 1.16 0.88 0.00 0.00 54 D 8.15 4.57 0.00 2.71 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 L 8.33 4.78 0.00 2.06 1.79 1.30 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.73 2.48 0.00 1.02 1.10 0.00 1.39 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.15 7.81 57 D 7.58 4.81 0.00 2.55 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 58 R 7.24 4.40 0.00 1.48 0.66 0.00 3.04 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 59 P 0.00 4.17 0.00 2.01 2.14 0.00 3.36 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 60 F 7.76 4.43 0.00 3.22 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 61 F 7.71 4.05 0.00 3.28 3.12 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 62 P 0.00 4.19 0.00 2.22 2.12 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 63 G 8.07 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 0.00 0.00 0.00 64 L 8.19 3.81 0.00 1.63 1.74 0.38 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.34 3.51 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 0.81 0.00 0.00 0.21 0.00 0.00 66 K 8.05 4.04 0.00 1.91 2.06 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 67 Y 8.68 4.01 0.00 3.30 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 68 M 8.59 4.36 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.85 0.00 69 N 7.87 4.92 0.00 2.79 3.02 0.00 0.00 6.81 8.08 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 70 S 8.32 4.56 0.00 3.98 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 71 G 6.93 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 0.00 0.00 0.00 0.00 72 P 0.00 4.47 0.00 0.85 1.74 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 73 V 8.97 4.72 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 0.82 0.00 0.00 1.16 0.00 0.00 74 V 8.53 4.83 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 1.04 0.00 0.00 1.24 0.00 0.00 75 A 8.92 4.64 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 76 M 8.74 5.39 0.00 1.54 1.80 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 2.48 2.44 0.00 77 V 8.13 4.70 1.63 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 0.98 0.00 0.00 0.35 0.00 0.00 78 W 9.08 5.13 0.00 3.07 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 79 E 10.29 4.90 0.00 2.00 1.81 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 2.30 2.42 0.00 80 G 8.48 4.86 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 0.00 0.00 0.00 81 L 8.50 3.90 0.00 1.57 1.95 0.99 1.11 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 82 N 8.83 4.54 0.00 3.03 2.97 0.00 0.00 7.27 7.71 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 83 V 7.75 3.07 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 0.27 0.00 0.00 0.98 0.00 0.00 84 V 8.07 3.54 2.18 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 0.98 0.00 0.00 1.02 0.00 0.00 85 K 7.96 3.95 0.00 1.89 2.10 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.52 7.81 86 T 8.12 4.05 4.39 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 1.32 0.00 0.00 87 G 8.37 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 88 R 7.91 4.01 0.00 2.05 2.01 0.00 3.32 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 89 V 7.37 3.60 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 0.82 0.00 0.00 0.98 0.00 0.00 90 M 8.35 4.12 0.00 1.74 2.02 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.41 0.00 91 L 7.95 4.07 0.00 1.97 1.75 1.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.05 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 93 E 8.05 4.19 0.00 2.21 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 0.00 2.38 2.49 0.00 94 T 8.49 4.01 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 1.21 0.00 0.00 95 N 7.56 4.68 0.00 2.74 2.70 0.00 0.00 7.06 7.59 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 96 P 0.00 4.31 0.00 2.39 2.28 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 97 A 8.54 4.01 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 98 D 8.07 4.76 0.00 2.63 2.70 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 0.00 0.00 0.00 0.00 99 S 7.45 4.30 0.00 3.87 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 0.00 100 K 8.64 4.28 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.39 7.81 101 P 0.00 4.29 0.00 1.88 1.93 0.00 3.61 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 1.99 2.06 0.00 102 G 8.91 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 0.00 103 T 7.63 4.46 4.33 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 1.27 0.00 0.00 104 I 8.23 3.86 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.91 1.11 0.00 0.00 105 R 8.19 4.12 0.00 1.95 1.99 0.00 3.44 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 106 G 7.88 3.60 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 0.00 107 D 7.93 4.31 0.00 1.58 1.54 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 0.00 108 F 7.88 5.03 0.00 3.15 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 0.00 109 C 8.17 5.03 0.00 3.21 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 0.00 110 I 8.48 4.27 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.92 0.00 0.00 111 Q 7.63 4.56 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 112 V 8.43 3.57 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 0.81 0.00 0.00 0.94 0.00 0.00 113 G 8.26 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 0.00 114 R 7.49 4.66 0.00 1.81 2.13 0.00 3.39 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 115 N 7.97 4.85 0.00 2.87 3.09 0.00 0.00 6.07 7.68 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 0.00 116 I 8.41 2.88 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.77 1.04 0.00 0.00 117 I 8.56 5.09 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.90 1.02 0.00 0.00 118 H 9.48 5.01 0.00 3.28 3.06 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.32 4.33 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 0.00 120 S 8.39 4.59 0.00 3.82 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 0.00 121 D 8.99 4.56 0.00 2.83 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 0.00 122 S 7.46 4.59 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 0.00 123 V 8.21 3.58 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 0.78 0.00 0.00 0.95 0.00 0.00 124 K 7.97 3.98 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 125 S 8.12 4.19 0.00 4.12 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 0.00 126 A 8.62 4.36 1.45 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 0.00 127 E 8.25 3.99 0.00 2.03 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 0.00 2.52 2.51 0.00 128 K 7.76 3.91 0.00 2.06 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 129 E 8.62 3.90 0.00 2.01 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 2.22 2.53 0.00 130 I 8.14 4.03 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.89 1.00 0.00 0.00 131 S 7.98 4.27 0.00 4.03 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 0.00 132 L 7.96 4.03 0.00 1.72 1.87 0.34 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.68 4.30 0.00 3.02 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 0.00 134 F 8.16 5.21 0.00 3.17 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 0.00 135 K 9.39 4.59 0.00 1.84 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.39 7.81 136 P 0.00 4.27 0.00 2.23 2.37 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 137 E 8.13 4.22 0.00 1.97 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 2.31 2.35 0.00 138 E 8.54 4.22 0.00 2.30 2.20 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 2.41 2.44 0.00 139 L 7.58 4.28 0.00 1.54 1.57 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.54 3.94 2.19 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 0.79 0.00 0.00 0.96 0.00 0.00 141 D 8.77 5.09 0.00 2.59 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 0.00 142 Y 8.06 4.83 0.00 3.04 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 0.00 143 K 8.44 4.41 0.00 1.66 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.31 7.81 144 S 8.55 4.44 0.00 4.16 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 0.00 145 C 8.97 4.22 0.00 3.19 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 0.00 146 A 7.98 4.87 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 0.00 147 H 8.42 4.12 0.00 3.40 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.08 4.33 0.00 2.33 2.33 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 0.00 149 W 8.01 4.71 0.00 3.39 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 0.00 150 V 7.43 3.91 1.58 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 0.15 0.00 0.00 0.87 0.00 0.00 151 Y 7.76 4.44 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.