NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 4.8228 8.4293 116.3477 55.5717 29.8857 172.2288 880 Q 4.5994 8.4143 119.9023 53.0289 31.8295 172.1387 881 S 5.1997 9.1722 114.2030 56.9136 66.8540 173.5861 882 Y 4.8434 9.1434 117.2716 56.6914 41.7279 176.0615 883 D 4.7401 8.9025 118.4785 55.1307 42.4852 176.6470 884 C 4.5576 7.8529 118.2937 58.7772 33.2967 172.8675 885 V 4.5198 8.3961 125.1434 61.1977 34.9711 174.1137 886 C 4.4449 9.5957 129.5767 57.9608 31.8074 172.2236 887 V 4.1695 8.4349 126.3017 62.6080 32.7192 174.2923 888 M 5.4789 8.9281 125.9522 53.9639 36.0208 173.5399 889 F 5.0873 9.5325 123.8806 55.6193 42.7570 174.0907 890 A 5.8004 9.5533 124.6765 49.3714 21.9614 175.0321 891 S 4.9685 8.8475 116.0707 56.9398 67.2611 173.3020 892 I 4.7843 7.7638 119.7422 57.2225 36.8406 174.4215 893 P 4.2820 0.0000 0.0000 65.7699 31.5719 178.3819 894 D 5.1679 8.4072 115.9790 56.0057 41.4068 178.5795 895 F 4.4814 8.9622 122.0476 61.0608 39.2117 176.8744 896 K 3.9488 7.8971 118.6566 59.6265 32.1469 178.1388 897 E 4.1671 8.2265 117.3590 59.3462 29.7046 178.6090 898 F 4.1788 7.7931 120.3899 59.5176 39.4313 174.5493 899 Y 3.8641 7.4394 120.1374 57.5365 38.4115 174.9101 900 T 4.2475 7.4644 123.2551 61.8903 71.6072 173.6554 901 E 4.3681 8.2636 128.2952 54.4252 28.4197 175.1418 902 S 4.7930 7.4629 116.2784 55.8556 65.6390 176.0804 903 D 5.1789 8.4550 120.8584 57.0311 40.9945 179.3629 904 V 3.5763 7.8638 118.2240 65.6799 31.5221 176.3084 905 N 4.7670 7.9506 116.3752 52.8190 37.5054 175.1639 906 K 3.5692 8.4217 114.4213 58.3610 30.5973 174.7312 907 E 3.3704 8.5175 112.2057 57.1749 26.1254 176.3703 908 G 3.5375 9.5447 106.9972 45.5967 0.0000 174.6183 909 L 3.9962 7.5922 121.1337 58.4396 42.1748 178.7291 910 E 4.2990 7.9373 117.8907 59.2591 29.3010 179.3425 911 C 4.5225 7.9584 116.6845 62.8508 28.5412 175.7774 912 L 4.2871 8.3813 120.6633 57.7393 41.0129 179.5970 913 R 3.9911 8.7305 119.3552 59.2128 29.9180 178.1914 914 L 4.0974 8.0040 119.5452 57.2852 42.0669 178.5989 915 L 3.6451 8.0435 120.6921 57.7963 42.0551 177.8605 916 N 4.2578 8.5990 117.2970 56.8767 38.6740 176.6963 917 E 3.8601 7.9038 119.8247 59.3581 29.6272 178.9409 918 I 3.2423 7.0292 119.9019 64.4359 37.0366 178.4706 919 I 3.3507 7.7299 120.1782 64.2977 36.8506 178.1056 920 A 3.9878 8.0094 121.7152 55.5243 17.8732 179.4027 921 D 4.4495 8.3078 116.2294 57.7629 41.3362 178.8488 922 F 4.2953 8.0061 118.2001 60.6106 38.6179 177.5370 923 D 4.7514 8.5647 120.2560 56.8326 40.7623 178.3813 924 D 4.5008 7.9753 119.2487 56.8312 40.7693 178.7550 925 L 4.1661 7.7675 119.6926 57.7697 41.3774 178.9749 926 L 4.1760 7.6829 117.9367 57.9103 41.5727 178.1147 927 S 4.6199 7.5289 111.8227 58.8301 62.8329 174.4632 928 K 4.5782 7.7121 121.7993 55.0174 34.1282 174.2139 929 P 4.5649 0.0000 0.0000 64.7986 31.9510 177.4677 930 K 4.0394 7.7272 115.5391 58.3270 33.2901 177.2673 931 F 5.0394 7.7344 117.8238 57.3973 38.9889 177.0499 932 S 4.3835 8.2516 114.0666 59.6788 62.6956 174.5562 933 G 4.0261 7.9081 108.4656 45.3089 0.0000 173.1777 934 V 3.8979 7.6096 120.0932 61.8419 32.9252 175.3518 935 E 4.4364 8.6805 127.3861 53.8061 32.0013 174.5733 936 K 4.1304 8.5561 129.2137 56.9899 32.2442 176.2495 937 I 4.1749 8.5112 129.3232 62.7127 38.3487 175.8467 938 K 4.2104 6.7833 118.7021 56.6298 35.1736 173.4552 939 T 4.7956 8.3810 110.2641 59.8767 71.1218 173.2950 940 I 4.3562 8.4732 127.4071 60.0593 39.9139 175.4905 941 G 4.1662 8.2458 115.5697 47.2080 0.0000 174.5194 942 S 4.3576 8.7711 118.9567 58.1912 63.6648 173.6891 943 T 4.6537 8.1926 120.1789 63.1855 69.5939 172.9723 944 Y 4.5852 9.5273 128.7502 56.5283 40.8793 173.8069 945 M 4.3135 8.2567 126.0904 53.7397 34.4078 173.9315 946 A 5.1217 8.2678 127.2654 50.0834 23.1101 174.2895 947 A 5.1363 8.4426 119.2011 50.9136 23.2115 175.6178 948 T 4.6593 8.9216 110.0357 60.6761 71.8697 174.4920 949 G 4.0800 9.2009 111.5465 45.5380 0.0000 174.5482 950 L 3.5745 7.6671 119.4416 56.7658 42.4728 177.5386 951 S 4.4876 7.7624 115.8364 56.7884 61.9751 172.4622 952 A 4.6134 7.3171 120.9097 51.2238 22.1856 176.9671 953 I 3.6271 8.3472 120.4397 64.3847 36.8014 177.5836 *964 R 4.2186 7.3327 118.7635 55.5958 31.7608 175.6474 965 Q 4.1135 7.6372 120.0514 57.1997 30.4243 175.6223 966 Y 5.2407 7.3626 115.1421 57.3766 38.8129 176.7879 967 M 4.2823 8.0951 121.1832 58.6573 32.8278 176.3204 968 H 4.3935 8.5349 114.7602 58.1614 28.4952 177.6594 969 I 3.6996 7.1960 121.9242 64.4543 36.9797 178.5764 970 G 3.9029 8.1416 105.5544 47.5745 0.0000 175.7961 971 T 4.0619 7.9540 118.5089 67.0276 68.3542 176.4566 972 M 4.1449 8.1605 118.9136 58.4594 32.3294 178.3265 973 V 3.7167 7.6449 118.5898 66.1501 31.7687 177.8699 974 E 4.3014 8.7450 118.4567 59.4790 29.2094 179.0985 975 F 3.5906 8.5090 120.4851 60.2668 39.3641 177.3548 976 A 3.6767 8.1720 121.0918 55.3800 18.2105 179.0093 977 Y 3.9234 7.8204 114.4410 61.1219 37.8523 178.8423 978 A 3.8022 7.5226 121.1755 55.1156 18.4796 179.3535 979 L 2.5874 6.9366 117.3224 57.5643 41.4505 180.2141 980 V 3.5045 7.5043 117.8048 66.0127 31.3230 178.1335 981 G 3.6957 8.0730 104.3894 47.9885 0.0000 175.2544 982 K 4.1733 7.9629 120.1614 58.6735 32.2410 179.1458 983 L 4.2354 7.9266 121.0045 57.8945 41.8894 177.8926 984 D 4.6214 8.3051 116.5012 55.3603 41.1640 177.7550 985 A 4.1805 7.4993 121.4117 54.6604 18.9444 179.5806 986 I 3.7116 7.6325 117.7638 64.6243 37.2926 177.9175 987 N 4.3010 7.9184 118.2825 55.6572 38.2051 176.9769 988 K 3.7094 7.2344 117.8242 59.5307 32.2333 177.3717 989 H 4.5927 7.7970 112.9754 55.3486 29.1063 175.4080 990 S 4.6134 7.4874 114.6882 56.8144 63.5442 174.1112 991 F 3.6139 7.2559 117.1396 59.0100 36.3561 174.0203 992 N 4.9176 7.9252 116.0212 51.8187 42.3363 173.2516 993 D 4.7276 7.5272 116.1751 52.5865 40.9731 174.8007 994 F 4.6495 9.0492 119.9637 57.2539 39.9064 175.8982 995 K 4.6316 8.3229 120.4891 54.6069 35.5470 175.6700 996 L 4.6982 8.3126 124.9596 54.2561 44.3789 174.8736 997 R 4.8638 8.9581 123.7201 54.4713 33.3700 174.2487 998 V 4.9955 8.3893 125.4714 61.1501 35.2939 174.8351 999 G 4.5569 9.2391 112.8206 43.9532 0.0000 171.1687 1000 I 5.2065 8.0856 127.3844 59.2496 40.5187 174.6407 1001 N 4.8471 8.8227 123.3521 53.5412 42.9721 173.1731 1002 H 5.7005 7.7158 116.9685 52.2877 31.2135 171.3218 1003 G 3.8949 9.3467 103.5394 43.5250 0.0000 171.0161 1004 P 5.0024 0.0000 0.0000 63.0651 31.5095 176.2101 1005 V 4.7118 8.3718 113.1692 60.1380 36.7412 174.2361 1006 I 4.6976 9.1022 125.3133 59.9753 38.0354 175.1786 1007 A 4.4538 8.9257 129.6471 50.6246 20.1017 178.2526 1008 G 4.1109 6.2722 104.0197 45.8263 0.0000 171.7855 1009 V 5.0606 8.1815 118.8520 61.2050 35.0350 175.1970 1010 I 4.6243 8.3808 124.1084 59.7287 41.0510 172.6924 1011 G 4.2109 8.8532 113.8907 45.9299 0.0000 174.2748 1012 A 4.1040 8.5334 127.1847 54.7908 18.7540 178.0834 1013 Q 3.8664 7.6337 113.5439 57.6051 29.1693 176.4712 1014 K 4.4224 7.5221 128.2848 53.8112 33.4846 174.2186 1015 P 4.9560 0.0000 0.0000 62.1453 32.2022 176.1351 1016 Q 4.7470 8.7277 120.9201 54.1136 32.9867 174.0464 1017 Y 4.7066 8.6969 123.8664 57.8516 39.2761 173.9731 1018 D 4.0650 7.8506 123.5076 53.0715 45.2201 173.9154 1019 I 4.2128 7.3815 116.7526 58.8144 40.2204 174.2855 1020 W 4.7526 9.6452 123.5127 54.7660 33.6695 173.7331 1021 G 4.4778 9.0392 105.6744 43.4635 0.0000 174.6890 1022 N 4.5447 8.7419 119.3843 56.3657 39.0629 176.7088 1023 T 3.8816 8.1117 116.7741 67.2808 68.4188 175.8020 1024 V 3.8465 7.7264 119.9365 65.7390 31.2896 177.7832 1025 N 4.1801 8.0427 116.4817 55.6231 37.1417 177.2231 1026 V 3.5069 7.6723 120.3994 66.0036 31.5377 177.9140 1027 A 4.0375 7.5941 119.2314 54.8558 18.0498 179.6200 1028 S 2.7900 7.6356 111.7810 61.3452 62.3030 176.7425 1029 R 4.1539 8.5454 122.9244 58.6726 29.5162 178.6208 1030 M 4.2015 7.7171 117.2637 56.9314 32.0957 176.9414 1031 D 4.7245 8.0499 118.5699 56.0630 42.5706 178.1840 1032 S 4.2813 8.0175 113.9023 60.5009 62.5914 175.0317 1033 T 4.6167 7.3949 110.3715 60.9502 69.5006 174.7137 1034 G 4.0416 7.9799 111.8095 45.1977 0.0000 173.0269 1035 V 4.3843 7.8056 116.9324 60.1878 34.4040 175.3771 1036 L 4.0904 8.4150 124.8962 56.6727 41.7220 176.9085 1037 D 4.4647 9.0507 123.7034 54.9896 38.7141 173.8932 1038 K 4.5609 7.6729 116.5277 54.9044 37.2949 175.6618 1039 I 4.5178 8.3242 124.5534 59.8191 39.1103 174.2910 1040 Q 4.9655 8.9435 129.8728 55.1775 30.1887 174.8012 1041 V 4.9955 8.9416 119.9617 58.3508 35.7674 175.9398 1042 T 4.4043 8.3847 113.4014 61.2225 69.8859 175.0848 1043 E 3.7127 8.8774 121.8864 59.3775 29.4622 178.2673 1044 E 3.8997 8.1981 118.0915 59.9699 29.6697 179.2946 1045 T 3.8900 7.4973 114.1897 66.8131 68.6040 176.1131 1046 S 3.9502 8.3737 115.0978 61.7281 62.1813 175.8647 1047 L 3.7571 8.1603 121.1698 58.2659 41.3822 179.5211 1048 I 3.6957 7.6117 119.0045 64.8004 37.2564 178.1928 1049 L 4.2194 7.8170 119.1537 58.4597 41.5088 179.8840 1050 Q 4.9682 8.3901 118.9339 58.8542 28.4703 178.9689 1051 T 4.1103 7.5173 109.2552 64.3905 68.7505 175.5002 1052 L 4.3471 7.7898 119.6397 54.4065 41.8242 176.9524 1053 G 3.7341 8.4718 107.4249 46.1850 0.0000 173.0384 1054 Y 5.2326 7.8518 115.9444 56.0215 41.1469 175.0719 1055 T 5.1166 8.5846 110.9661 60.5571 71.9234 172.8849 1056 C 5.1605 8.5674 119.2588 58.7730 32.6134 173.2657 1057 T 4.7186 9.0997 119.0825 61.6812 71.1637 173.1073 1058 C 3.6306 8.7074 126.7170 59.1216 31.3199 172.9674 1059 R 3.8117 7.8258 127.9661 58.4358 30.3045 175.0368 1060 G 4.0145 6.9034 107.3910 44.6077 0.0000 175.1882 1061 I 5.1099 7.9271 124.7011 59.3580 40.6366 173.4411 1062 I 4.4871 8.4799 123.5128 60.1589 41.9141 174.3231 1063 N 5.3682 8.7083 125.5701 51.9492 38.3258 173.0220 1064 V 3.8513 8.6619 125.0030 61.2746 32.6497 174.9921 1065 K 3.8187 8.7189 129.1103 58.3614 32.2993 175.9120 1066 G 4.1828 9.0081 115.1358 45.3387 0.0000 173.8438 1067 K 4.3711 8.0386 117.9209 55.3705 33.5510 177.4221 1068 G 3.8340 7.6187 107.2218 47.3242 0.0000 174.6355 1069 D 5.4511 8.5899 125.1573 52.3629 43.0490 174.6111 1070 L 4.7599 9.1167 123.3712 52.7791 45.6177 175.7373 1071 K 5.3557 8.7939 122.4163 54.6636 33.0149 175.7658 1072 T 4.7236 8.0507 118.1172 61.0098 71.4240 173.0505 1073 Y 4.9330 8.8771 118.6002 56.3646 42.9377 174.2558 1074 F 5.5141 9.5585 121.6287 55.9276 41.5428 175.5248 1075 V 4.2000 8.4787 124.1755 62.4868 31.1301 175.2278 1076 N 4.6380 8.4892 125.5611 53.4063 39.2852 175.9155 1077 T 4.2559 8.5039 118.4628 63.8818 68.7973 174.7310 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 879 H 8.43 4.82 0.00 3.69 3.51 0.00 5.48 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 8.41 4.60 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.14 0.00 881 S 9.17 5.20 0.00 3.91 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 0.00 882 Y 9.14 4.84 0.00 2.94 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 0.00 883 D 8.90 4.74 0.00 2.74 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 0.00 884 C 7.85 4.56 0.00 3.09 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 0.00 885 V 8.40 4.52 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 0.84 0.00 0.00 0.77 0.00 0.00 886 C 9.60 4.44 0.00 2.91 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 0.00 887 V 8.43 4.17 2.24 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 0.97 0.00 0.00 0.91 0.00 0.00 888 M 8.93 5.48 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 889 F 9.53 5.09 0.00 2.99 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 0.00 890 A 9.55 5.80 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 0.00 891 S 8.85 4.97 0.00 3.92 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 0.00 892 I 7.76 4.78 1.75 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.86 0.00 0.00 893 P 0.00 4.28 0.00 2.24 2.20 0.00 3.81 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 2.17 2.20 0.00 894 D 8.41 5.17 0.00 3.10 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 0.00 895 F 8.96 4.48 0.00 3.04 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 0.00 896 K 7.90 3.95 0.00 1.84 1.94 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 897 E 8.23 4.17 0.00 2.29 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 2.56 2.50 0.00 898 F 7.79 4.18 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 0.00 899 Y 7.44 3.86 0.00 2.70 2.93 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 0.00 900 T 7.46 4.25 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 1.02 0.00 0.00 901 E 8.26 4.37 0.00 1.84 1.82 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 2.10 2.22 0.00 902 S 7.46 4.79 0.00 3.90 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 0.00 903 D 8.45 5.18 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 0.00 904 V 7.86 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 0.79 0.00 0.00 0.89 0.00 0.00 905 N 7.95 4.77 0.00 2.87 2.92 0.00 0.00 7.15 7.39 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 0.00 906 K 8.42 3.57 0.00 1.91 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.54 7.81 907 E 8.52 3.37 0.00 2.27 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 2.20 2.26 0.00 908 G 9.54 3.54 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 0.00 0.00 0.00 909 L 7.59 4.00 0.00 1.95 1.84 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 910 E 7.94 4.30 0.00 2.04 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 0.00 2.49 2.52 0.00 911 C 7.96 4.52 0.00 3.43 3.23 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 0.00 912 L 8.38 4.29 0.00 1.98 1.83 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.73 3.99 0.00 1.98 2.19 0.00 3.14 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 914 L 8.00 4.10 0.00 1.99 2.10 0.98 0.92 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 0.00 915 L 8.04 3.65 0.00 1.55 1.77 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 916 N 8.60 4.26 0.00 2.89 3.01 0.00 0.00 7.27 7.74 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0.00 0.00 0.00 1.15 0.81 0.97 0.00 0.00 1001 N 8.82 4.85 0.00 2.75 2.61 0.00 0.00 6.41 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1002 H 7.72 5.70 0.00 3.26 3.20 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 G 9.35 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 0.00 0.00 0.00 1004 P 0.00 5.00 0.00 2.14 2.16 0.00 3.34 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.89 0.00 1005 V 8.37 4.71 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 0.83 0.00 0.00 0.93 0.00 0.00 1006 I 9.10 4.70 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.99 0.00 0.00 1007 A 8.93 4.45 1.43 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 1008 G 6.27 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 1009 V 8.18 5.06 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 1.18 0.00 0.00 1010 I 8.38 4.62 2.08 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 1.24 0.00 0.00 1011 G 8.85 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 0.00 0.00 0.00 0.00 1012 A 8.53 4.10 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 1013 Q 7.63 3.87 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 1014 K 7.52 4.42 0.00 1.68 1.71 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 1015 P 0.00 4.96 0.00 2.03 2.06 0.00 3.75 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 2.05 2.14 0.00 1016 Q 8.73 4.75 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 1017 Y 8.70 4.71 0.00 2.90 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 1018 D 7.85 4.07 0.00 2.32 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 1019 I 7.38 4.21 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.51 0.58 0.00 0.00 1020 W 9.65 4.75 0.00 3.35 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 1021 G 9.04 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 0.00 0.00 0.00 0.00 1022 N 8.74 4.54 0.00 2.78 2.83 0.00 0.00 7.65 7.22 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 1023 T 8.11 3.88 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 1.31 0.00 0.00 1024 V 7.73 3.85 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 1.20 0.00 0.00 1.00 0.00 0.00 1025 N 8.04 4.18 0.00 2.87 3.03 0.00 0.00 5.68 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 1026 V 7.67 3.51 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 0.97 0.00 0.00 1.02 0.00 0.00 1027 A 7.59 4.04 1.57 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 1028 S 7.64 2.79 0.00 2.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1029 R 8.55 4.15 0.00 1.86 1.91 0.00 3.29 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 1030 M 7.72 4.20 0.00 2.32 2.34 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 2.64 2.90 0.00 1031 D 8.05 4.72 0.00 2.90 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 1032 S 8.02 4.28 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 1033 T 7.39 4.62 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 1.26 0.00 0.00 1034 G 7.98 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 1035 V 7.81 4.38 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 0.89 0.00 0.00 0.81 0.00 0.00 1036 L 8.42 4.09 0.00 1.64 1.61 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1037 D 9.05 4.46 0.00 2.75 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 1038 K 7.67 4.56 0.00 1.40 1.16 0.00 1.41 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.09 7.81 1039 I 8.32 4.52 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.68 0.87 0.00 0.00 1040 Q 8.94 4.97 0.00 2.42 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 1041 V 8.94 5.00 2.09 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 0.93 0.00 0.00 1.03 0.00 0.00 1042 T 8.38 4.40 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 1.20 0.00 0.00 1043 E 8.88 3.71 0.00 2.40 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 2.32 2.23 0.00 1044 E 8.20 3.90 0.00 2.08 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 2.38 2.47 0.00 1045 T 7.50 3.89 4.44 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 1.22 0.00 0.00 1046 S 8.37 3.95 0.00 3.56 3.53 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 0.00 1047 L 8.16 3.76 0.00 1.78 1.69 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 1048 I 7.61 3.70 1.86 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 1.01 0.00 0.00 1049 L 7.82 4.22 0.00 2.00 2.00 0.90 0.87 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 1050 Q 8.39 4.97 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.26 0.00 1051 T 7.52 4.11 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 1.31 0.00 0.00 1052 L 7.79 4.35 0.00 1.78 1.64 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1053 G 8.47 3.73 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 0.00 0.00 0.00 1054 Y 7.85 5.23 0.00 3.05 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 1055 T 8.58 5.12 4.32 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 1.29 0.00 0.00 1056 C 8.57 5.16 0.00 2.87 2.93 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 1057 T 9.10 4.72 4.49 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 1.29 0.00 0.00 1058 C 8.71 3.63 0.00 2.55 2.63 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 1059 R 7.83 3.81 0.00 0.67 1.29 0.00 3.38 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 1060 G 6.90 4.01 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 0.00 0.00 0.00 1061 I 7.93 5.11 1.83 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 1.28 0.95 0.90 0.00 0.00 1062 I 8.48 4.49 1.82 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 1.06 0.73 0.89 0.00 0.00 1063 N 8.71 5.37 0.00 2.80 2.74 0.00 0.00 7.31 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 1064 V 8.66 3.85 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 0.89 0.00 0.00 0.90 0.00 0.00 1065 K 8.72 3.82 0.00 1.73 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 1066 G 9.01 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 0.00 0.00 0.00 0.00 1067 K 8.04 4.37 0.00 1.69 1.77 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.35 7.81 1068 G 7.62 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 1069 D 8.59 5.45 0.00 2.57 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 1070 L 9.12 4.76 0.00 1.49 1.52 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.79 5.36 0.00 1.72 1.77 0.00 1.67 0.00 0.00 2.35 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 1.22 7.81 1072 T 8.05 4.72 4.13 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 1.13 0.00 0.00 1073 Y 8.88 4.93 0.00 2.80 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 1074 F 9.56 5.51 0.00 2.89 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 1075 V 8.48 4.20 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 0.61 0.00 0.00 0.87 0.00 0.00 1076 N 8.49 4.64 0.00 2.77 2.81 0.00 0.00 6.98 7.42 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 1077 T 8.50 4.26 4.32 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.