NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 4.8229 8.4293 116.3547 55.5496 29.9972 172.9817 880 Q 4.4290 8.4324 122.3695 53.3748 31.4027 172.5439 881 S 5.0550 9.0684 113.8819 57.0499 66.1183 174.6052 882 Y 4.6169 8.8718 120.7173 57.0802 39.9815 175.9489 883 D 4.7089 8.7884 118.9391 55.1842 42.3277 176.7932 884 C 4.6950 7.8347 118.6054 58.2322 32.9934 172.3892 885 V 4.5079 8.9547 125.5652 60.7924 34.6766 173.6404 886 C 4.6539 9.3056 128.7378 58.2258 32.6921 172.1711 887 V 4.5982 8.3194 127.2008 61.7211 33.3069 174.3262 888 M 5.4149 8.6200 126.1795 53.8528 36.1265 173.7922 889 F 5.2520 9.1333 122.1636 55.6323 43.1594 173.7383 890 A 5.2236 9.1922 125.1325 50.3477 21.5789 174.8982 891 S 5.1806 9.4411 117.0001 57.3107 67.0444 173.6831 892 I 4.9351 7.8006 121.7130 58.9687 36.9051 174.6237 893 P 4.3584 0.0000 0.0000 65.5170 31.3872 178.3719 894 D 4.5242 8.2760 116.1110 55.7676 41.3572 177.9132 895 F 4.2826 8.6363 122.3792 61.1031 39.2852 176.8238 896 K 3.9900 7.6452 118.7396 59.7125 31.8394 178.0998 897 E 4.1502 8.1706 116.4719 59.4397 30.0511 177.9664 898 F 4.1021 7.6986 120.3651 59.7911 39.4201 175.1155 899 Y 4.0649 7.5406 119.5742 57.9625 39.2396 175.2332 900 T 4.3899 7.5162 122.6126 61.7983 72.4186 173.0466 901 E 4.4281 8.2544 124.4077 54.1026 29.3816 175.1755 902 S 4.8138 7.5853 115.9088 55.7649 66.1334 175.9156 903 D 4.5586 8.6203 120.9408 56.9168 40.9213 178.5730 904 V 3.7228 7.9224 118.0080 65.6511 31.8177 176.7908 905 N 4.8094 7.8607 116.8698 53.9646 37.7341 174.9528 906 K 3.7320 9.0576 113.2259 58.6243 30.2560 174.4617 907 E 3.5327 8.8435 112.6248 57.8657 26.7961 176.3757 908 G 4.0169 10.3235 104.0201 46.1568 0.0000 175.9052 909 L 4.0921 8.1426 122.7962 58.1062 42.1141 178.7217 910 E 4.0537 8.3160 117.9227 59.6316 29.2096 179.3066 911 C 4.5222 8.1419 116.2722 63.1114 28.5146 175.9139 912 L 4.2003 8.0288 120.0945 57.6668 41.1082 179.6745 913 R 4.0101 8.2647 119.2255 59.1385 29.9961 178.3077 914 L 3.9889 7.8915 120.0125 58.0864 42.1148 178.6454 915 L 3.6296 8.3216 120.5292 57.9563 41.8950 178.3832 916 N 4.1946 8.4491 117.4248 56.5863 38.8740 176.4194 917 E 3.8900 8.0246 119.8751 59.6052 29.6174 179.1070 918 I 3.3588 7.5360 119.4099 64.7482 37.1120 178.5263 919 I 3.4323 7.7311 120.2267 64.1136 36.8688 178.5263 920 A 4.2603 7.9469 123.0468 54.8046 18.0703 179.4595 921 D 4.5527 8.3803 116.4240 57.4266 40.8574 178.7639 922 F 4.3340 7.8678 117.9163 60.4389 38.7900 177.3186 923 D 4.7883 8.1389 118.0094 56.8908 40.3212 177.7654 924 D 4.7780 7.7521 116.3470 54.9025 40.7960 176.5315 925 L 4.6823 7.9063 122.2628 56.2024 43.2534 178.8875 926 L 4.1940 8.2332 117.1031 57.4034 41.6263 177.6609 927 S 4.7839 8.0661 113.2849 58.1650 63.2632 173.4343 928 K 4.6833 7.9553 121.2765 53.8523 34.4581 175.2432 929 P 4.2892 0.0000 0.0000 65.5712 31.3727 179.0123 930 K 3.9498 7.8154 115.0565 58.7428 32.8178 177.4002 931 F 5.0966 7.6066 118.2651 57.2723 39.1926 177.0182 932 S 4.3354 8.0501 114.8343 59.9884 62.5202 174.8665 933 G 3.9942 7.9081 108.5496 45.2953 0.0000 173.0786 934 V 3.9742 7.6918 120.0762 61.5354 32.9550 174.8837 935 E 4.4872 8.4194 127.3822 54.0440 32.4361 174.5403 936 K 3.9800 8.6169 128.9436 56.1359 31.8880 176.3369 937 I 3.9785 8.7361 130.7650 63.5696 38.0556 176.1754 938 K 4.1555 6.8303 118.4649 57.0028 35.8561 173.3462 939 T 4.6337 8.2984 109.7703 60.5188 71.1761 173.5175 940 I 4.2569 8.6898 128.6377 60.1607 39.3248 176.8676 941 G 3.8647 8.3391 116.3738 46.9982 0.0000 173.7882 942 S 4.4897 8.7269 117.1962 57.7639 63.4291 172.4952 943 T 4.8719 8.4298 118.8355 62.8274 70.8054 172.8209 944 Y 4.6695 9.1258 128.6946 56.7255 40.7527 173.5923 945 M 4.5594 8.2589 126.3236 53.7844 34.7467 174.1877 946 A 5.5345 8.1068 127.1305 49.5381 23.4450 174.0165 947 A 4.8757 7.6202 115.4422 51.6309 22.4592 175.6673 948 T 4.6758 9.0781 112.7999 60.4874 71.7329 174.6655 949 G 4.3313 8.9862 113.7488 45.8529 0.0000 174.2872 950 L 3.7216 7.6941 118.9620 55.3074 42.2009 177.2217 951 S 4.6104 7.9554 113.9033 58.3359 62.7456 172.9797 952 A 4.8884 7.7131 122.3573 49.8956 21.9608 177.2068 953 I 3.5954 8.1844 119.5312 64.2923 37.2273 176.9857 *964 R 4.2199 7.5840 117.2973 55.8561 30.9237 175.2529 965 Q 4.2433 8.6680 115.8087 57.9215 29.2521 175.7116 966 Y 4.7958 7.8791 116.5243 57.6933 39.0675 176.3659 967 M 4.4136 8.1419 120.0946 57.3197 32.9123 175.6535 968 H 4.4488 8.3653 114.3103 57.7580 28.3695 177.2840 969 I 3.8820 7.6664 123.2016 64.1477 37.1147 178.0012 970 G 3.9584 8.1770 106.5169 47.6928 0.0000 176.0343 971 T 4.1882 7.8559 117.5288 66.5774 68.5512 176.3236 972 M 4.1239 7.8169 119.1225 58.3616 32.2101 178.3191 973 V 3.5439 7.3255 118.8969 65.5475 31.6047 177.8931 974 E 4.3509 8.4321 118.5445 59.0980 29.2369 179.0430 975 F 3.3979 8.4088 120.8042 60.5835 39.3439 176.9926 976 A 3.7379 7.8694 120.4624 55.5287 18.0488 179.0783 977 Y 4.2113 7.5357 114.5555 61.2602 37.9520 178.4995 978 A 3.8820 7.5370 121.2297 55.5926 18.2992 179.4838 979 L 2.7709 7.0500 116.6662 57.5267 41.4454 180.2054 980 V 3.5493 7.2612 117.8384 66.0430 31.1074 178.0607 981 G 3.7649 8.2674 105.8343 48.1015 0.0000 175.4282 982 K 4.1744 7.9478 120.1399 58.6260 31.7982 179.1609 983 L 4.1910 8.3707 121.2270 57.7293 41.8047 178.1005 984 D 4.5844 8.1888 117.2236 55.5981 41.4833 178.3091 985 A 4.1387 7.5019 120.9390 55.1580 18.4056 179.5965 986 I 3.6911 7.7153 118.1874 64.7408 37.1590 178.2365 987 N 4.4145 7.8143 117.9916 55.3892 38.0542 177.2774 988 K 3.7087 7.5166 119.7876 59.7938 32.4810 178.1155 989 H 4.2597 7.9559 112.7827 56.5588 29.2114 176.2924 990 S 4.7156 7.7086 115.3667 56.8973 63.6479 174.0124 991 F 3.4950 7.4755 119.6434 59.1997 36.5500 174.0474 992 N 5.0300 8.0578 116.2776 51.5864 41.8814 173.5878 993 D 4.7951 7.5938 115.9453 53.6121 41.4167 175.6623 994 F 4.4296 8.3977 117.1911 57.5005 39.8045 175.3600 995 K 4.6808 8.7935 124.5059 54.4697 34.5891 175.5323 996 L 4.8098 8.2252 124.2204 54.1127 44.5476 174.9255 997 R 4.8488 8.8508 123.5462 54.5847 33.4622 174.1389 998 V 5.0351 8.4225 125.2839 61.2400 35.6040 174.9427 999 G 4.1300 9.2623 112.3515 45.9574 0.0000 171.3003 1000 I 5.1422 8.1512 126.9421 59.5300 39.8962 174.7084 1001 N 5.0878 8.8502 122.8650 53.5730 43.1747 172.3872 1002 H 5.6988 7.3102 114.8988 54.5572 31.3676 174.1004 1003 G 3.9117 8.1234 107.2847 45.2422 0.0000 169.1047 1004 P 5.0674 0.0000 0.0000 62.7409 32.1383 176.0559 1005 V 4.6748 8.3308 114.3655 60.2160 37.1330 174.3441 1006 I 4.9449 8.4294 120.0754 59.4070 38.9797 175.5493 1007 A 4.2043 8.5974 128.4912 51.5095 19.7856 176.1213 1008 G 4.4774 6.4869 105.5156 43.7163 0.0000 172.8198 1009 V 4.8452 7.7930 120.1092 61.5140 33.9050 174.1553 1010 I 4.3683 8.4166 120.1818 60.9590 41.0361 173.8145 1011 G 4.0949 8.9543 113.9395 46.2101 0.0000 174.1151 1012 A 3.9412 8.6524 127.7637 55.4148 18.3645 178.0926 1013 Q 3.5299 7.5397 109.2515 59.1837 29.0075 177.8268 1014 K 4.4313 7.6220 125.6430 52.9975 32.8229 172.1856 1015 P 4.5359 0.0000 0.0000 61.6819 32.0162 175.4592 1016 Q 4.7605 8.7435 121.8897 53.9368 32.0614 174.2749 1017 Y 4.7041 8.7250 125.4390 57.6811 38.3507 174.0566 1018 D 4.2748 8.8729 125.4933 52.7034 45.2684 173.4740 1019 I 4.4313 7.3642 118.0758 59.2771 39.6768 175.3512 1020 W 4.6597 8.4201 126.4492 54.9164 32.6434 175.4005 1021 G 4.3290 9.3538 107.8243 45.7641 0.0000 174.4037 1022 N 4.3296 9.0182 119.6692 56.8072 38.7671 177.1168 1023 T 3.8976 8.1181 116.7954 66.9261 68.4633 176.2565 1024 V 3.7297 7.8858 119.8695 65.8313 31.5950 177.5658 1025 N 4.2371 8.0467 116.4242 56.7838 38.8428 176.8821 1026 V 3.5691 7.9020 119.4252 65.6154 31.3561 177.8090 1027 A 4.0279 7.6110 119.8585 55.1166 18.5173 179.3813 1028 S 2.8801 7.5149 112.5362 61.3830 62.5446 176.9892 1029 R 4.2323 7.6877 122.8367 57.6615 29.7360 177.8649 1030 M 4.3923 7.8492 117.5481 55.5159 31.9867 176.1902 1031 D 4.7279 8.0257 118.6299 55.7911 43.5829 178.0704 1032 S 4.1748 8.0739 113.2882 60.7931 62.7486 175.3523 1033 T 4.4663 7.2654 108.3342 61.0090 68.9473 174.5392 1034 G 4.0205 8.3969 112.3945 45.4597 0.0000 172.8825 1035 V 4.4393 7.9136 117.2752 60.2259 34.0366 174.9180 1036 L 4.2504 8.3701 125.3566 56.5332 41.9071 176.6671 1037 D 4.5330 9.4503 121.2017 54.9935 38.8891 173.6121 1038 K 4.6432 7.7162 117.1312 54.7051 36.5003 175.3661 1039 I 4.3629 8.3457 124.5033 60.1527 39.5592 174.2149 1040 Q 5.1158 8.7061 127.4708 54.6719 30.8884 174.5801 1041 V 5.0066 9.1933 120.6773 59.6817 35.5790 176.2330 1042 T 4.3509 8.2791 113.6862 60.5131 69.9120 173.9510 1043 E 3.6953 8.2867 120.9371 59.5806 29.1042 177.9378 1044 E 4.0018 8.1186 116.5239 60.1537 29.7106 179.5050 1045 T 3.8836 7.7782 116.5062 66.2031 68.4967 176.4531 1046 S 3.9083 8.3097 115.3559 61.4747 62.3751 175.8339 1047 L 3.8216 8.1140 121.7246 58.2410 41.2117 179.4888 1048 I 3.6544 7.8848 118.9794 64.7884 37.3801 178.2011 1049 L 4.3377 7.9481 119.5117 57.6949 41.3844 179.5178 1050 Q 4.9498 8.2681 119.7160 58.6261 28.4093 178.7851 1051 T 4.4245 7.6741 107.2799 62.0014 68.9256 174.7968 1052 L 4.6714 7.6338 117.3479 54.8727 44.1000 176.7852 1053 G 3.7868 8.8054 106.9698 46.3654 0.0000 173.2186 1054 Y 4.9288 7.9352 115.8138 55.8285 41.2039 174.6132 1055 T 5.0183 8.5851 113.5589 60.5294 71.1341 173.2700 1056 C 5.5912 8.7413 121.2158 58.3583 32.5194 173.1969 1057 T 4.8328 8.8599 115.9912 61.9623 72.3897 172.9389 1058 C 3.7435 8.6146 125.8754 58.7154 31.5515 173.2830 1059 R 3.5899 7.8635 128.0270 59.5628 30.3983 175.7770 1060 G 3.5815 7.2462 103.8800 44.0861 0.0000 172.4358 1061 I 4.5790 7.8157 120.7194 61.0572 38.6505 175.4665 1062 I 4.5234 8.5236 123.4804 59.7146 41.8890 173.1073 1063 N 5.0194 8.7641 127.8397 52.9167 39.7631 174.4730 1064 V 4.1416 8.9021 128.2446 60.6082 32.7289 174.5672 1065 K 3.8414 8.5823 128.4158 58.3733 32.3568 174.5252 1066 G 4.2057 9.2541 114.5075 45.5895 0.0000 173.8891 1067 K 4.3637 8.1755 117.6859 55.3277 33.9736 177.2312 1068 G 4.0264 7.7206 106.3899 46.9288 0.0000 173.8528 1069 D 5.4034 8.5646 123.9625 52.3997 42.6757 175.0694 1070 L 4.8364 9.1815 122.5646 52.7002 46.1581 175.4723 1071 K 4.6087 8.7476 124.6220 56.1718 33.1122 175.8691 1072 T 4.9435 8.4773 116.9533 60.2265 72.3983 172.3455 1073 Y 5.0267 9.3516 118.3335 56.5320 42.9730 174.3165 1074 F 5.6439 9.3558 121.5764 55.9157 41.4147 175.4936 1075 V 4.1643 8.4079 124.1810 63.0010 31.9007 175.5668 1076 N 4.9614 8.9963 125.3954 52.9488 40.1773 175.5734 1077 T 4.3109 8.1582 115.8386 64.0863 69.7159 174.1681 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 3.53 3.50 0.00 5.50 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 8.43 4.43 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.13 0.00 881 S 9.07 5.05 0.00 4.07 3.86 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 0.00 882 Y 8.87 4.62 0.00 2.89 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 0.00 883 D 8.79 4.71 0.00 2.68 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 0.00 884 C 7.83 4.69 0.00 2.89 2.69 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 0.00 0.00 0.00 0.00 885 V 8.95 4.51 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 0.78 0.00 0.00 0.78 0.00 0.00 886 C 9.31 4.65 0.00 2.88 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 0.00 887 V 8.32 4.60 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 0.90 0.00 0.00 888 M 8.62 5.41 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 889 F 9.13 5.25 0.00 3.05 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 9.19 5.22 1.24 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 0.00 0.00 0.00 891 S 9.44 5.18 0.00 3.89 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 0.00 892 I 7.80 4.94 1.80 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.06 0.91 0.00 0.00 893 P 0.00 4.36 0.00 2.26 2.17 0.00 3.80 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 894 D 8.28 4.52 0.00 3.18 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 0.00 895 F 8.64 4.28 0.00 3.18 3.10 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 0.00 896 K 7.65 3.99 0.00 2.10 1.97 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.58 7.81 897 E 8.17 4.15 0.00 2.20 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 2.61 2.45 0.00 898 F 7.70 4.10 0.00 3.22 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 0.00 899 Y 7.54 4.06 0.00 2.86 3.05 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 0.00 900 T 7.52 4.39 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 1.02 0.00 0.00 901 E 8.25 4.43 0.00 1.81 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 1.96 2.10 0.00 902 S 7.59 4.81 0.00 3.89 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 8.62 4.56 0.00 2.66 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 0.00 904 V 7.92 3.72 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 0.78 0.00 0.00 0.89 0.00 0.00 905 N 7.86 4.81 0.00 2.88 2.92 0.00 0.00 7.26 7.36 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 0.00 906 K 9.06 3.73 0.00 1.87 1.90 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.52 7.81 907 E 8.84 3.53 0.00 2.25 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 2.22 2.28 0.00 908 G 10.32 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 909 L 8.14 4.09 0.00 1.85 1.70 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.32 4.05 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 911 C 8.14 4.52 0.00 3.47 3.39 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 0.00 912 L 8.03 4.20 0.00 1.97 1.81 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.26 4.01 0.00 1.95 2.25 0.00 3.15 0.00 0.00 3.13 7.56 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 7.89 3.99 0.00 1.94 1.99 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 915 L 8.32 3.63 0.00 1.33 1.66 0.07 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 916 N 8.45 4.19 0.00 2.86 2.98 0.00 0.00 7.19 7.68 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0.00 0.00 0.00 1.12 0.67 0.95 0.00 0.00 1001 N 8.85 5.09 0.00 2.83 2.68 0.00 0.00 6.76 8.04 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 1002 H 7.31 5.70 0.00 3.19 3.21 0.00 5.32 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 G 8.12 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 1004 P 0.00 5.07 0.00 2.14 2.12 0.00 3.34 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 1005 V 8.33 4.67 2.28 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 0.84 0.00 0.00 0.92 0.00 0.00 1006 I 8.43 4.94 2.07 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 1.22 1.12 0.90 0.00 0.00 1007 A 8.60 4.20 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.49 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 1009 V 7.79 4.85 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 0.94 0.00 0.00 1.14 0.00 0.00 1010 I 8.42 4.37 2.28 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 1.31 0.95 1.19 0.00 0.00 1011 G 8.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1012 A 8.65 3.94 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 7.54 3.53 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 1014 K 7.62 4.43 0.00 1.67 1.69 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 1015 P 0.00 4.54 0.00 2.11 2.07 0.00 3.74 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.38 0.00 1016 Q 8.74 4.76 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 1017 Y 8.72 4.70 0.00 2.93 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 1018 D 8.87 4.27 0.00 2.27 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 7.36 4.43 1.71 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 0.90 0.54 0.63 0.00 0.00 1020 W 8.42 4.66 0.00 3.43 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 1021 G 9.35 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 1022 N 9.02 4.33 0.00 2.79 2.86 0.00 0.00 7.10 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 8.12 3.90 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 1.31 0.00 0.00 1024 V 7.89 3.73 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 1.11 0.00 0.00 1.02 0.00 0.00 1025 N 8.05 4.24 0.00 2.81 2.97 0.00 0.00 6.84 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 1026 V 7.90 3.57 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 0.99 0.00 0.00 0.98 0.00 0.00 1027 A 7.61 4.03 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 1028 S 7.51 2.88 0.00 3.39 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1029 R 7.69 4.23 0.00 1.92 1.97 0.00 3.22 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 1030 M 7.85 4.39 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 1031 D 8.03 4.73 0.00 2.73 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 1032 S 8.07 4.17 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1033 T 7.27 4.47 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 1034 G 8.40 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 1035 V 7.91 4.44 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 1036 L 8.37 4.25 0.00 1.66 1.61 0.95 1.10 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 1037 D 9.45 4.53 0.00 2.77 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 7.72 4.64 0.00 1.43 1.19 0.00 1.35 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.01 7.81 1039 I 8.35 4.36 1.79 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.89 0.83 0.00 0.00 1040 Q 8.71 5.12 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 1041 V 9.19 5.01 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 0.74 0.00 0.00 1.01 0.00 0.00 1042 T 8.28 4.35 4.37 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 1.23 0.00 0.00 1043 E 8.29 3.70 0.00 2.19 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 2.39 2.38 0.00 1044 E 8.12 4.00 0.00 2.31 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 2.37 2.48 0.00 1045 T 7.78 3.88 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 1.21 0.00 0.00 1046 S 8.31 3.91 0.00 3.48 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 1047 L 8.11 3.82 0.00 1.74 1.64 0.86 0.82 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 1048 I 7.88 3.65 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.92 0.00 0.00 1049 L 7.95 4.34 0.00 1.92 1.81 0.77 0.81 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 1050 Q 8.27 4.95 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 1051 T 7.67 4.42 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1052 L 7.63 4.67 0.00 1.92 1.71 1.11 1.01 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 1053 G 8.81 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 1054 Y 7.94 4.93 0.00 3.19 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 1055 T 8.59 5.02 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 1.27 0.00 0.00 1056 C 8.74 5.59 0.00 2.86 2.98 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 1057 T 8.86 4.83 4.43 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 1.31 0.00 0.00 1058 C 8.61 3.74 0.00 2.58 2.60 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 1059 R 7.86 3.59 0.00 0.67 1.33 0.00 3.33 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 1060 G 7.25 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1061 I 7.82 4.58 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.88 0.00 0.00 1062 I 8.52 4.52 1.81 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 1.08 1.52 0.88 0.00 0.00 1063 N 8.76 5.02 0.00 2.88 2.70 0.00 0.00 6.88 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 8.90 4.14 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 0.94 0.00 0.00 0.91 0.00 0.00 1065 K 8.58 3.84 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 1066 G 9.25 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 1067 K 8.18 4.36 0.00 1.69 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.35 7.81 1068 G 7.72 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 1069 D 8.56 5.40 0.00 2.54 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 1070 L 9.18 4.84 0.00 1.49 1.49 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.75 4.61 0.00 1.74 1.76 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.13 1.25 7.81 1072 T 8.48 4.94 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 1.16 0.00 0.00 1073 Y 9.35 5.03 0.00 2.89 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 1074 F 9.36 5.64 0.00 2.99 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 1075 V 8.41 4.16 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 0.59 0.00 0.00 0.79 0.00 0.00 1076 N 9.00 4.96 0.00 2.88 2.83 0.00 0.00 6.78 7.93 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 1077 T 8.16 4.31 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 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.