NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 838 M 4.4175 8.3044 118.1942 54.4361 32.5851 174.6539 839 R 3.7005 8.3353 120.0003 55.3094 30.6667 174.3272 840 D 4.4218 8.5389 125.2267 53.4516 42.4642 174.6763 841 P 4.0467 0.0000 0.0000 65.8161 31.7299 177.6492 842 T 4.2472 7.9915 115.5485 65.6967 69.6578 173.7043 843 Q 4.9128 8.0118 120.7308 54.8095 28.6864 175.6756 844 F 4.2386 9.6311 124.2345 56.4818 41.0128 175.0482 845 E 4.7170 9.1571 122.5627 54.5595 31.0419 176.5684 846 E 4.0517 8.7752 125.9513 59.3885 29.7963 179.2798 847 R 3.9659 8.0619 113.5661 58.8654 29.5692 176.5747 848 H 4.5662 8.2076 114.2448 55.7558 30.2690 174.7420 849 L 4.9765 7.7733 121.7321 53.7544 40.7747 174.3372 850 K 4.2805 9.0307 123.0159 55.4378 33.3108 175.9703 851 F 4.5992 8.9967 128.2953 58.6572 39.6669 173.5554 852 L 4.4482 7.6370 124.6504 55.2937 43.6142 176.4521 853 Q 3.9925 6.4001 113.4221 55.0020 31.4267 172.3559 854 Q 4.4842 8.7454 121.7956 56.4784 29.4601 175.0898 855 L 4.4816 9.0494 126.7216 56.4246 42.9473 176.9201 856 G 4.2191 7.6353 103.1433 45.2676 0.0000 172.0196 857 K 4.7319 8.5335 119.9116 54.3074 34.8549 176.8425 858 G 3.8930 8.5633 114.6490 44.3052 0.0000 172.6366 859 N 4.5252 8.3975 115.5949 55.5601 38.9355 176.0172 860 F 4.4901 7.2263 109.2738 56.1680 40.7352 174.0175 861 G 4.1884 7.0996 105.9539 45.3462 0.0000 171.7832 862 S 5.1176 9.0145 114.4658 56.4856 67.4594 172.8731 863 V 5.0484 8.7835 120.1729 61.0475 34.2420 174.1081 864 E 5.1661 9.5161 125.2680 54.7212 33.5831 174.1479 865 M 4.7784 9.0374 121.3492 54.6473 33.7218 174.7438 866 C 5.3617 8.7154 122.6693 57.9206 33.5480 172.7952 867 R 4.7777 8.9312 120.9350 54.9000 32.4583 174.2599 868 Y 4.8675 9.0969 129.2605 56.9177 38.6602 172.3833 869 D 4.7799 8.7179 126.6718 51.3004 40.6912 174.1533 870 P 4.0367 0.0000 0.0000 64.6555 31.9190 177.8436 871 L 4.0784 7.8391 116.8546 55.1052 41.8220 177.0435 872 Q 3.8783 7.4556 115.6441 56.9655 27.9484 173.9481 873 D 4.7338 7.5234 113.8066 53.2116 39.7888 175.5062 874 N 4.2464 8.4193 115.8656 55.3703 36.3790 174.7515 875 T 4.4306 8.1798 105.4097 61.1970 70.0998 174.4472 876 G 4.2196 7.7203 109.3364 45.7798 0.0000 172.9816 877 E 4.4145 8.6969 121.7143 55.4817 31.0581 175.7629 878 V 4.2014 8.3629 127.0962 63.0415 32.4650 175.2475 879 V 4.7034 8.9047 119.8459 59.6472 36.7795 173.8344 880 A 5.0878 9.1090 123.9759 50.4745 21.3235 176.1733 881 V 4.6569 8.9276 122.9355 61.0036 34.1948 174.1162 882 K 5.1817 9.3397 130.4054 54.9208 34.2873 175.1515 883 K 4.7947 8.6292 124.5978 55.1840 36.4897 174.8471 884 L 4.2932 7.9762 123.0810 55.0674 42.4300 176.0933 885 Q 4.2729 9.3043 124.5484 56.9864 30.4329 176.1608 886 H 4.8937 7.9220 116.3205 54.3075 28.2927 175.2419 887 S 4.5171 7.9002 124.7063 58.2573 62.3928 174.8374 888 T 4.1507 7.6244 117.4362 63.4120 70.6388 174.8849 889 E 4.0270 8.5343 121.3465 59.3615 29.4648 179.2154 890 E 3.8584 8.0081 118.9463 59.7948 29.7427 178.5762 891 H 4.2496 7.9404 115.6234 58.7145 28.7668 177.7212 892 L 4.1324 8.1377 121.0064 57.7452 41.4980 179.5679 893 R 3.9101 8.2377 118.0726 59.3866 30.0031 178.4327 894 D 4.4364 8.2113 118.5428 57.8281 40.9503 179.2149 895 F 4.4673 8.5981 120.8079 61.4762 39.2282 177.0207 896 E 3.8747 8.2049 117.9223 59.2827 29.2244 179.5577 897 R 3.8731 7.9017 117.8397 58.9480 29.7214 178.5220 898 E 3.8669 8.3812 119.3822 59.3773 29.5608 178.8979 899 I 3.5984 7.4253 119.6549 64.3976 37.1204 178.2876 900 E 3.7643 7.7506 119.1185 59.3168 29.0719 179.3230 901 I 3.3893 7.6735 118.7966 64.2653 37.4686 177.9007 902 L 3.8106 7.8547 121.0724 57.9787 41.7176 178.6175 903 K 3.0679 7.5093 118.6994 59.4488 31.9896 178.4539 904 S 4.3019 7.8097 112.7354 59.2251 63.2694 174.0386 905 L 4.6709 7.2661 123.3219 53.6635 42.2670 176.3419 906 Q 4.3088 8.8847 122.5091 54.8993 31.0271 173.8241 907 H 4.3188 8.0519 120.0394 54.6552 32.6063 174.3687 908 D 4.4114 8.5272 125.8553 56.9803 40.8869 177.1660 909 N 5.2366 8.2858 114.6901 51.9734 39.1661 173.3745 910 I 5.2195 7.5985 118.7828 59.0460 40.3512 175.9723 911 V 3.8764 8.7558 127.2822 62.1870 31.9125 176.2818 912 K 4.2411 9.2578 124.5721 56.3701 33.2143 175.6656 913 Y 4.4330 8.7833 126.4956 57.8155 39.0600 175.6124 914 K 4.0491 9.0751 126.0563 55.9048 34.9559 176.7596 915 G 4.2784 5.5956 104.7849 45.0047 0.0000 171.1649 916 V 4.7073 8.2703 112.0802 59.6454 35.6941 174.4406 917 C 5.3690 8.6706 121.2665 57.3876 32.4628 174.0748 918 Y 4.8738 8.4270 127.6690 58.0542 38.5212 176.9021 919 S 4.3984 8.1372 112.7430 56.6303 62.4108 174.8850 920 A 4.6942 7.5643 131.7643 51.7668 20.0994 176.9300 921 G 3.9393 8.0900 112.4102 45.4753 0.0000 172.1343 922 R 4.2256 8.1259 126.3649 58.5612 30.9869 175.9048 923 R 4.2141 7.5246 119.9997 57.2212 30.8710 175.6780 924 N 4.2992 9.2965 118.6886 52.0209 35.2652 174.1811 925 L 4.1634 7.2292 122.6135 56.1524 42.7265 176.3376 926 K 4.9559 8.7989 125.1270 54.4787 35.8432 175.0147 927 L 4.3556 9.0762 127.9777 54.6369 43.4363 175.2580 928 I 4.5495 8.5104 128.0516 60.1389 38.8868 174.8588 929 M 5.2884 9.0132 126.2085 52.8190 36.6383 174.7435 930 E 4.3353 8.6774 118.6785 56.7225 30.6997 175.8088 931 Y 4.4736 8.5030 123.2332 56.6718 39.7777 174.4526 932 L 4.2787 7.8351 127.3891 52.4416 42.8063 174.9876 933 P 3.8001 0.0000 0.0000 64.3135 31.7029 176.3912 934 Y 4.4852 7.3176 115.5581 57.1313 38.5323 177.4301 935 G 3.8638 7.6528 110.2391 45.1416 0.0000 173.4163 936 S 4.6617 8.2476 113.4860 58.1854 65.0810 174.8049 937 L 3.9675 9.1249 125.4915 57.9067 41.6328 179.5253 938 R 3.9153 7.9523 118.5692 59.6554 30.1511 178.1187 939 D 4.3911 7.8911 118.6636 57.3309 40.8491 177.9926 940 Y 4.0797 8.1868 120.0464 60.7413 38.6331 177.7605 941 L 4.0125 8.1885 120.2114 58.3189 42.2192 178.3900 942 Q 4.1507 7.6225 118.1312 59.4481 29.1251 178.4453 943 K 4.1150 7.9745 117.6599 58.4011 32.1156 177.4978 944 H 4.8156 7.7816 116.1693 54.9097 29.6636 176.0517 945 K 3.9686 8.3256 121.8232 60.1900 32.2482 178.7713 946 E 3.9680 8.1095 117.7991 58.1440 29.4860 177.6526 947 R 4.2725 7.5618 113.2136 56.0074 30.5517 176.0919 948 I 4.1826 7.2419 119.2326 59.8915 37.6748 175.0955 949 D 4.7971 8.1701 125.8809 51.9452 41.8993 176.7862 950 H 4.2573 8.6157 115.1281 59.2366 28.4971 177.7058 951 I 3.7037 7.7476 119.9050 63.9202 38.0113 177.7443 952 K 3.6830 8.0634 120.0384 59.3419 32.0062 178.6552 953 L 3.8813 7.6287 119.1699 57.9386 41.4440 179.5826 954 L 4.1916 7.8907 118.6996 57.4503 41.6816 179.1965 955 Q 3.9701 7.9041 119.8874 59.2323 28.8810 177.9865 956 Y 4.3712 7.7027 117.4086 61.5884 37.9241 178.1041 957 T 4.1661 8.2053 116.7482 67.0848 68.5633 176.3646 958 S 4.1543 8.2337 114.5289 61.5747 62.4981 176.1378 959 Q 4.1465 8.0620 120.2657 59.1403 28.5027 178.9477 960 I 3.7690 8.3002 121.1327 64.6885 37.1024 178.3167 961 C 4.0555 8.5335 117.8249 62.5462 27.8893 176.2982 962 K 4.0599 8.4078 120.3822 59.4613 31.7338 179.3445 963 G 3.5533 8.0628 105.8429 48.3600 0.0000 175.4944 964 M 3.8265 7.8435 121.1617 57.7473 31.7183 178.5407 965 E 4.0013 8.1865 119.8046 59.4176 29.3018 178.2775 966 Y 4.1293 8.2353 119.7344 60.3262 38.8013 177.6330 967 L 4.0337 7.9527 121.7393 58.0752 42.3209 179.2543 968 G 3.6999 7.9793 105.0438 47.7569 0.0000 175.8302 969 T 3.7701 7.1247 116.3907 66.0070 68.4737 175.2412 970 K 3.8678 7.2450 117.3246 55.2772 32.5952 176.2827 971 R 3.8692 7.3931 117.4894 57.4005 28.0012 175.0733 972 Y 5.1942 7.7144 114.8442 56.8077 39.3605 175.4948 973 I 4.6577 8.9509 125.6588 59.7383 39.0818 176.0660 974 H 4.0946 9.6405 125.9557 58.6389 29.8786 178.0504 975 R 4.3911 8.6709 115.9610 56.5366 29.7048 175.9061 976 D 5.0048 7.7050 116.2050 53.3284 41.5436 175.7654 977 L 4.1625 8.3842 120.4784 54.7674 42.8278 175.1714 978 A 4.8771 8.0830 127.1152 51.2328 22.1017 176.8049 979 T 3.9915 9.3036 110.9611 64.4903 68.9708 177.1102 980 R 3.9003 7.9588 117.8205 58.6837 29.5899 176.8967 981 N 4.5896 8.1129 114.0994 53.1770 39.2459 173.9070 982 I 4.7021 7.3985 120.5546 59.6511 39.3170 174.8729 983 L 5.0370 9.0454 126.6503 53.1142 44.7945 175.5453 984 V 4.1856 8.3199 122.1044 61.3963 32.5033 176.2169 985 E 3.9564 9.0301 130.4929 58.6811 30.0594 175.5085 986 N 4.5129 7.4198 113.7112 51.6539 39.5217 174.6373 987 E 4.1009 8.6247 116.2712 58.5084 29.4086 177.2998 988 N 4.9004 8.6057 115.7361 53.1220 40.3222 174.5855 989 R 4.9353 8.1768 118.9611 54.4955 33.5296 174.5107 990 V 4.9073 9.3222 118.9480 59.6697 35.7664 174.7253 991 K 4.8680 8.7850 120.8655 54.6532 37.1531 175.8665 992 I 3.9449 8.9547 125.4782 61.8908 37.4790 176.7342 993 G 4.0389 8.8084 114.6009 46.3663 0.0000 172.8839 994 D 4.8822 7.3607 118.7862 53.0373 44.2602 174.4813 995 F 4.7457 8.6597 124.2018 56.9470 40.3212 177.5832 996 G 3.7765 8.5283 112.6250 47.8530 0.0000 175.3168 997 L 4.4863 7.5975 116.3990 54.4196 42.4531 176.5794 998 T 4.2293 7.5610 117.5596 64.1410 69.4057 173.2280 999 K 4.6549 9.0442 125.9666 54.4377 35.4049 175.4357 1000 V 4.3482 8.1984 123.8493 61.7917 32.3681 175.4790 1001 L 4.2324 9.0626 130.8601 54.5876 42.8691 175.0693 1002 P 4.5018 0.0000 0.0000 62.1953 32.1291 177.3879 1003 Q 4.0129 8.8454 121.2227 58.9815 28.6665 177.7472 1004 D 4.7123 7.9597 113.9427 53.4145 40.2551 175.9974 1005 K 4.7118 7.9278 118.4542 55.2911 36.0468 175.4544 1006 E 4.4132 8.5912 118.8458 56.3899 29.7511 176.3077 *1009 K 4.2227 7.9277 118.0087 56.3083 32.6318 175.8244 1010 V 4.0179 8.4764 125.2863 61.6425 31.3777 175.9871 1011 K 4.0867 8.7071 128.0339 58.4757 32.2379 176.9808 1012 E 4.3681 7.6989 119.8475 53.8025 27.8604 173.3032 1013 P 4.2111 0.0000 0.0000 59.8337 32.3135 172.6326 1014 G 3.7451 8.1176 117.7802 45.9731 0.0000 171.6431 1015 E 3.6304 9.3645 126.0827 55.3141 29.9043 170.1198 1016 S 3.7484 7.8674 120.9166 57.2596 63.8504 171.4193 1017 P 4.5427 0.0000 0.0000 61.0411 29.5615 176.5081 1018 I 3.2242 7.3136 118.6556 64.5708 37.7429 178.6184 1019 F 4.4119 8.0400 116.6911 58.2023 38.9005 175.6313 1020 W 4.7890 8.6680 120.1935 56.7090 30.3143 175.4193 1021 Y 4.6964 7.7064 117.0298 57.2005 38.2378 175.5140 1022 A 2.0000 7.9390 126.6164 50.5045 19.5035 176.5777 1023 P 3.9438 0.0000 0.0000 65.5712 31.3585 179.0974 1024 E 4.1747 7.6304 116.8211 58.5457 29.5500 179.3000 1025 S 3.5722 7.2952 117.9324 60.3528 62.5130 176.4770 1026 L 3.9473 7.3612 120.3698 58.1166 41.3268 179.2332 1027 T 4.1064 8.3384 110.0242 63.9579 68.9481 175.3669 1028 E 4.5312 7.7131 117.3208 54.6050 31.6521 175.7765 1029 S 3.9882 7.8099 112.6162 58.9467 61.5480 170.7440 1030 K 4.4414 6.9551 118.1036 54.7403 32.1078 175.1300 1031 F 4.6992 8.5684 125.2800 55.6451 41.6483 174.8438 1032 S 4.7126 8.2382 116.9198 56.2558 66.1974 175.2316 1033 V 3.8914 8.4900 112.2486 64.3616 31.1924 178.2002 1034 A 4.2184 7.7687 119.3051 54.2208 18.2488 179.8150 1035 S 4.2049 7.9574 113.9771 61.8028 62.9823 176.3717 1036 D 4.7465 8.3491 121.1658 57.4276 40.7257 178.9081 1037 V 3.4914 8.2002 118.9735 65.4951 31.1798 177.8109 1038 W 4.5267 8.3424 127.7190 60.9779 30.5464 178.1577 1039 S 4.8962 8.8486 116.4246 61.1566 62.2568 176.2848 1040 F 4.4206 9.0819 123.8235 61.5421 39.1633 177.4421 1041 G 3.3049 8.3083 105.0170 47.6985 0.0000 175.8548 1042 V 3.9736 8.0175 120.3352 65.7103 31.5281 178.2846 1043 V 3.9969 8.2176 118.3303 66.1543 31.4226 177.7944 1044 L 3.9533 7.9391 120.4287 58.0858 41.5958 178.2603 1045 Y 4.0864 8.0246 118.6293 60.7970 39.0063 177.3229 1046 E 4.1364 8.8225 119.9225 59.6090 29.6562 179.3600 1047 L 3.8043 7.9114 118.4957 57.9821 41.6222 179.4511 1048 F 3.8552 7.9963 114.5992 58.8666 39.1207 176.7399 1049 T 4.2251 7.3798 109.3025 61.0440 68.8921 174.9452 1050 Y 3.5516 7.7602 117.9208 58.8183 35.9929 169.6744 1051 I 3.2190 7.3980 116.2886 62.2190 35.2631 173.8365 1052 E 4.0232 7.9875 121.7757 55.9481 29.6327 176.6966 1053 K 3.9019 9.1185 128.7716 59.7589 32.1709 178.5432 1054 S 4.1842 8.0533 110.6094 60.3845 63.1348 174.6490 1055 K 4.9643 8.0910 118.6944 55.4853 32.3383 177.4532 1056 S 4.4620 7.6205 115.5566 57.5700 64.9072 173.2829 1057 P 3.7613 0.0000 0.0000 65.2225 30.9445 177.1526 1058 P 2.9700 0.0000 0.0000 64.9195 31.2435 178.2753 1059 A 3.8853 7.3669 118.0086 55.2950 18.3173 179.4836 1060 E 3.7564 8.1747 117.0481 59.6522 29.5561 179.7971 1061 F 4.3097 7.7991 117.6485 60.8511 38.8772 177.6986 1062 M 4.2678 8.2280 118.6731 58.3704 31.4602 178.7655 1063 R 3.9474 7.7931 118.1750 59.2316 30.2837 178.1824 1064 M 4.2411 7.6345 117.6139 58.2217 32.1380 178.5415 1065 I 3.9298 8.0831 119.2544 64.4722 37.9717 174.9594 1066 G 3.7565 7.6013 105.3973 43.6766 0.0000 174.5279 1067 N 4.6357 8.6176 122.1544 55.0388 39.0087 176.1645 1068 D 4.4643 8.1031 117.7439 55.7144 39.8830 177.2706 1069 K 3.8788 7.3445 116.6268 56.5203 34.1223 174.1660 1070 Q 4.0726 9.0890 118.7197 58.2286 27.8549 176.8959 1071 G 4.2767 9.1520 103.8326 46.0540 0.0000 174.8288 1072 Q 3.9214 7.9986 121.2902 58.0497 29.1864 177.4455 1073 M 4.4073 8.1188 118.7269 58.0614 32.2435 178.0949 1074 I 3.7288 7.2604 119.0770 64.3842 37.3487 178.1921 1075 V 3.3289 7.5209 118.4211 66.0652 31.3650 177.8423 1076 F 4.4651 7.3875 117.1997 61.1472 38.7113 177.4986 1077 H 4.2861 8.5360 115.7973 58.5705 28.3803 177.6885 1078 L 3.9006 8.2105 122.5739 57.9758 41.7939 179.0840 1079 I 3.6006 7.7485 119.8213 64.4293 37.0933 178.0746 1080 E 3.9204 8.1011 119.8005 58.9355 29.4200 178.5338 1081 L 3.9414 8.1942 120.5899 58.2572 42.3161 178.8465 1082 L 4.1040 8.0953 119.0088 57.8682 41.3650 179.4919 1083 K 4.0145 8.1229 118.4837 59.2464 32.0996 177.4625 1084 N 4.8032 7.9096 114.4544 52.5639 38.6862 174.7451 1085 N 4.3427 8.0797 115.6917 54.0975 36.7722 174.6077 1086 G 3.8381 8.0581 107.5284 45.6252 0.0000 174.1004 1087 R 4.6545 8.1379 121.4687 53.7952 34.4953 174.8246 1088 L 3.4221 7.3923 119.5188 54.0296 41.8275 175.9667 1089 P 4.4954 0.0000 0.0000 61.8540 32.1903 175.9531 1090 R 3.3217 7.8082 119.6021 55.3626 30.2730 174.7016 1091 P 4.3656 0.0000 0.0000 62.2718 32.0256 175.4797 1092 D 4.5038 8.4811 121.2767 56.2855 40.8661 177.2084 1093 G 3.9937 8.9813 112.6632 45.1924 0.0000 172.5964 1094 C 4.3319 7.7779 120.7634 58.0554 32.3023 171.5607 1095 P 4.3746 0.0000 0.0000 62.4057 31.8440 176.7696 1096 D 4.4687 9.0027 122.8403 57.8085 40.7325 179.2763 1097 E 3.8983 8.1688 117.0545 59.1364 29.5130 179.1282 1098 I 3.6154 7.5210 120.9644 64.1381 37.2711 177.5416 1099 Y 4.0788 7.7470 119.7315 60.7216 38.7086 177.7852 1100 M 3.9019 8.1193 121.5484 57.6655 32.0159 178.7528 1101 I 3.5740 7.1204 119.3686 64.3713 37.2737 178.1440 1102 M 3.1175 7.2746 119.2233 58.4197 31.7102 178.9875 1103 T 3.5554 7.0359 109.5093 64.5803 68.3915 176.2721 1104 E 3.9227 7.2775 120.1807 59.5332 29.5940 178.7320 1105 C 4.2769 7.4622 115.3434 62.0228 28.3048 174.7155 1106 W 3.5611 7.2704 119.4416 55.5605 30.0117 175.8927 1107 N 4.7467 7.8672 117.7620 52.8236 39.2629 174.3598 1108 N 4.4761 9.1447 123.4261 56.2018 39.0415 174.4790 1109 N 4.5669 8.8280 117.8644 52.4421 38.1535 175.1349 1110 V 3.6438 8.6548 127.0620 66.3095 31.5642 177.7992 1111 N 4.5007 8.1646 114.8643 55.5146 38.5260 175.7293 1112 Q 4.4074 7.9867 115.9562 55.7531 28.9712 175.7854 1113 R 4.4732 7.3397 117.1842 54.5866 30.9956 174.7855 1114 P 4.4168 0.0000 0.0000 62.3984 32.3451 176.2382 1115 S 4.5524 8.0914 115.1648 57.1363 66.0558 175.3044 1116 F 4.1064 8.3521 120.5120 60.3669 38.6229 177.8612 1117 R 4.1606 7.9521 119.3185 59.0224 29.9146 178.0241 1118 D 4.3372 7.9026 118.1746 57.5630 40.8089 178.9581 1119 L 3.9257 7.9670 119.0626 57.4808 41.4218 179.4731 1120 A 3.9863 8.1451 120.7323 55.1720 18.3429 179.4422 1121 L 3.9223 7.7707 117.3065 58.1038 41.7505 179.9075 1122 R 3.8516 8.1428 118.4559 59.4603 29.9594 178.7518 1123 V 3.6272 8.0352 118.1681 66.1595 31.5126 177.7593 1124 D 4.3760 8.4857 119.0021 57.4670 40.5402 178.8333 1125 Q 4.0666 8.4125 118.8477 58.8486 28.6077 178.8018 1126 I 3.7138 7.8137 120.9548 64.2956 37.1738 178.4392 1127 R 3.9285 8.2193 119.1071 59.5499 30.0017 178.5745 1128 D 4.4829 8.4645 118.7270 57.6673 40.9470 178.8391 1129 N 4.3157 8.3779 116.7585 56.7906 38.3785 177.3589 1130 M 4.0934 8.1212 118.4773 57.9624 32.1684 177.8539 1131 A 4.4517 8.1028 118.0275 51.2692 19.3594 177.7702 1132 G 3.8685 7.5289 104.3364 46.2376 0.0000 173.6571 1133 H 4.4001 8.1404 124.5879 56.1320 29.8060 174.9252 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 838 M 8.30 4.42 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 839 R 8.34 3.70 0.00 1.88 1.87 0.00 3.26 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 840 D 8.54 4.42 0.00 2.80 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 0.00 841 P 0.00 4.05 0.00 2.09 2.08 0.00 3.80 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 1.96 1.96 0.00 842 T 7.99 4.25 4.69 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 1.41 0.00 0.00 843 Q 8.01 4.91 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 844 F 9.63 4.24 0.00 2.86 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 0.00 845 E 9.16 4.72 0.00 2.33 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 0.00 2.36 2.36 0.00 846 E 8.78 4.05 0.00 2.06 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 2.35 2.37 0.00 847 R 8.06 3.97 0.00 1.86 2.01 0.00 3.02 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.00 848 H 8.21 4.57 0.00 2.65 2.75 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 L 7.77 4.98 0.00 1.97 1.83 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 850 K 9.03 4.28 0.00 1.77 1.75 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.39 7.81 851 F 9.00 4.60 0.00 2.94 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 0.00 852 L 7.64 4.45 0.00 1.28 1.40 0.72 0.67 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 0.00 853 Q 6.40 3.99 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 854 Q 8.75 4.48 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 855 L 9.05 4.48 0.00 1.68 1.72 1.07 0.86 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 0.00 856 G 7.64 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 0.00 0.00 0.00 0.00 857 K 8.53 4.73 0.00 1.66 1.64 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.31 7.81 858 G 8.56 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 0.00 859 N 8.40 4.53 0.00 2.86 2.98 0.00 0.00 6.53 7.45 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 0.00 860 F 7.23 4.49 0.00 2.82 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 0.00 861 G 7.10 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 0.00 862 S 9.01 5.12 0.00 4.01 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 0.00 863 V 8.78 5.05 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 1.02 0.00 0.00 0.90 0.00 0.00 864 E 9.52 5.17 0.00 2.37 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 0.00 2.44 2.38 0.00 865 M 9.04 4.78 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.10 0.00 866 C 8.72 5.36 0.00 2.89 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 0.00 867 R 8.93 4.78 0.00 1.75 1.73 0.00 3.06 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 868 Y 9.10 4.87 0.00 3.27 3.06 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 0.00 869 D 8.72 4.78 0.00 2.76 2.43 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 0.00 870 P 0.00 4.04 0.00 1.81 1.41 0.00 3.54 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.18 0.00 871 L 7.84 4.08 0.00 1.70 1.87 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 872 Q 7.46 3.88 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 873 D 7.52 4.73 0.00 2.87 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 0.00 874 N 8.42 4.25 0.00 2.86 2.91 0.00 0.00 6.74 7.07 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 0.00 875 T 8.18 4.43 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 1.28 0.00 0.00 876 G 7.72 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 0.00 0.00 0.00 0.00 877 E 8.70 4.41 0.00 2.16 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 2.42 2.35 0.00 878 V 8.36 4.20 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 0.20 0.00 0.00 0.79 0.00 0.00 879 V 8.90 4.70 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 0.69 0.00 0.00 0.79 0.00 0.00 880 A 9.11 5.09 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 0.00 881 V 8.93 4.66 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 0.81 0.00 0.00 0.87 0.00 0.00 882 K 9.34 5.18 0.00 1.88 1.81 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.21 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.52 7.81 883 K 8.63 4.79 0.00 1.75 1.81 0.00 1.30 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.28 7.81 884 L 7.98 4.29 0.00 1.33 1.47 0.58 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 885 Q 9.30 4.27 0.00 1.78 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.92 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 886 H 7.92 4.89 0.00 3.16 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 S 7.90 4.52 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 888 T 7.62 4.15 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 889 E 8.53 4.03 0.00 1.96 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 2.40 2.31 0.00 890 E 8.01 3.86 0.00 1.97 1.74 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 2.46 2.37 0.00 891 H 7.94 4.25 0.00 3.30 3.31 0.00 5.69 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 0.00 892 L 8.14 4.13 0.00 2.11 1.78 1.02 0.90 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 0.00 893 R 8.24 3.91 0.00 2.13 1.98 0.00 3.25 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 894 D 8.21 4.44 0.00 2.96 2.83 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 0.00 895 F 8.60 4.47 0.00 3.20 3.11 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 0.00 896 E 8.20 3.87 0.00 2.22 1.97 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 2.34 2.39 0.00 897 R 7.90 3.87 0.00 2.01 1.90 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 898 E 8.38 3.87 0.00 2.24 2.15 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 2.38 2.65 0.00 899 I 7.43 3.60 1.81 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.09 0.83 0.00 0.00 900 E 7.75 3.76 0.00 2.00 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 2.43 2.44 0.00 901 I 7.67 3.39 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.15 0.42 0.00 0.00 902 L 7.85 3.81 0.00 1.77 1.66 0.79 0.89 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 0.00 903 K 7.51 3.07 0.00 1.08 1.59 0.00 1.66 0.00 0.00 1.25 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 0.47 7.81 904 S 7.81 4.30 0.00 4.12 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 0.00 905 L 7.27 4.67 0.00 1.62 1.77 0.50 0.82 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 0.00 906 Q 8.88 4.31 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 907 H 8.05 4.32 0.00 1.80 2.65 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 908 D 8.53 4.41 0.00 2.60 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 0.00 909 N 8.29 5.24 0.00 2.81 2.81 0.00 0.00 7.37 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 0.00 910 I 7.60 5.22 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.93 0.00 0.00 911 V 8.76 3.88 2.14 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 0.88 0.00 0.00 0.95 0.00 0.00 912 K 9.26 4.24 0.00 1.84 1.80 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 913 Y 8.78 4.43 0.00 3.08 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 0.00 914 K 9.08 4.05 0.00 1.46 1.70 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.29 7.81 915 G 5.60 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 0.00 0.00 0.00 0.00 916 V 8.27 4.71 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 0.67 0.00 0.00 1.03 0.00 0.00 917 C 8.67 5.37 0.00 2.93 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 0.00 918 Y 8.43 4.87 0.00 3.05 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 0.00 919 S 8.14 4.40 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 920 A 7.56 4.69 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 0.00 921 G 8.09 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 0.00 0.00 0.00 922 R 8.13 4.23 0.00 1.92 1.91 0.00 3.25 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 923 R 7.52 4.21 0.00 1.88 1.87 0.00 3.30 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 924 N 9.30 4.30 0.00 2.98 3.29 0.00 0.00 6.01 7.79 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 0.00 925 L 7.23 4.16 0.00 1.89 1.79 0.10 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 926 K 8.80 4.96 0.00 1.73 1.67 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.58 7.81 927 L 9.08 4.36 0.00 1.55 1.70 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 928 I 8.51 4.55 1.16 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.11 -0.24 0.00 0.00 929 M 9.01 5.29 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 930 E 8.68 4.34 0.00 2.00 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 2.52 2.25 0.00 931 Y 8.50 4.47 0.00 2.81 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 0.00 932 L 7.84 4.28 0.00 1.43 1.36 0.87 1.04 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 0.00 933 P 0.00 3.80 0.00 1.58 1.97 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 934 Y 7.32 4.49 0.00 2.97 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 0.00 935 G 7.65 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 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1.44 7.81 944 H 7.78 4.82 0.00 2.84 3.04 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 945 K 8.33 3.97 0.00 1.62 2.30 0.00 1.43 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.34 7.81 946 E 8.11 3.97 0.00 1.91 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 2.21 2.21 0.00 947 R 7.56 4.27 0.00 1.84 2.01 0.00 3.04 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 948 I 7.24 4.18 2.05 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 1.49 0.66 0.98 0.00 0.00 949 D 8.17 4.80 0.00 2.77 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 0.00 950 H 8.62 4.26 0.00 3.31 3.62 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 951 I 7.75 3.70 1.89 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 1.51 1.36 1.01 0.00 0.00 952 K 8.06 3.68 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.01 1.14 0.00 0.00 961 C 8.53 4.06 0.00 3.13 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 0.00 962 K 8.41 4.06 0.00 1.99 1.96 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.57 7.81 963 G 8.06 3.55 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 0.00 0.00 0.00 964 M 7.84 3.83 0.00 0.51 1.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.48 0.00 965 E 8.19 4.00 0.00 2.21 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 0.00 2.36 2.39 0.00 966 Y 8.24 4.13 0.00 3.07 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 0.00 967 L 7.95 4.03 0.00 2.08 1.77 1.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 968 G 7.98 3.70 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 0.00 0.00 0.00 969 T 7.12 3.77 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 0.83 0.00 0.00 970 K 7.24 3.87 0.00 0.79 0.74 0.00 1.50 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.68 0.63 7.81 971 R 7.39 3.87 0.00 2.05 2.04 0.00 3.09 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 972 Y 7.71 5.19 0.00 3.09 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 0.00 973 I 8.95 4.66 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.20 1.19 0.00 0.00 974 H 9.64 4.09 0.00 3.29 3.43 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 975 R 8.67 4.39 0.00 1.91 1.83 0.00 2.75 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 976 D 7.70 5.00 0.00 2.58 2.56 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 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0.00 1.45 1.37 7.81 1012 E 7.70 4.37 0.00 1.85 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 2.14 2.21 0.00 1013 P 0.00 4.21 0.00 2.13 2.06 0.00 3.81 0.00 0.00 3.84 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 1014 G 8.12 3.75 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 0.00 0.00 0.00 1015 E 9.36 3.63 0.00 2.10 1.97 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 2.20 2.44 0.00 1016 S 7.87 3.75 0.00 4.03 3.71 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 1017 P 0.00 4.54 0.00 2.14 2.00 0.00 3.42 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 2.01 2.12 0.00 1018 I 7.31 3.22 1.45 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.68 0.00 0.00 1019 F 8.04 4.41 0.00 3.20 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 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0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 1045 Y 8.02 4.09 0.00 3.40 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1046 E 8.82 4.14 0.00 2.41 2.14 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 2.69 2.94 0.00 1047 L 7.91 3.80 0.00 2.10 1.54 0.94 1.13 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 1048 F 8.00 3.86 0.00 2.95 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 1049 T 7.38 4.23 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 0.46 0.00 0.00 1050 Y 7.76 3.55 0.00 3.13 3.04 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 1051 I 7.40 3.22 1.92 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 1.22 0.90 0.98 0.00 0.00 1052 E 7.99 4.02 0.00 2.21 1.86 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 2.31 2.25 0.00 1053 K 9.12 3.90 0.00 1.89 1.84 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 1054 S 8.05 4.18 0.00 4.01 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 1055 K 8.09 4.96 0.00 1.87 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.46 7.81 1056 S 7.62 4.46 0.00 4.17 4.07 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 1057 P 0.00 3.76 0.00 1.24 1.56 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.99 0.00 1058 P 0.00 2.97 0.00 2.05 1.89 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 1059 A 7.37 3.89 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 1060 E 8.17 3.76 0.00 1.54 1.66 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 2.39 2.52 0.00 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1.96 1.87 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.58 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 1070 Q 9.09 4.07 0.00 2.05 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 1071 G 9.15 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 0.00 0.00 0.00 0.00 1072 Q 8.00 3.92 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 1073 M 8.12 4.41 0.00 2.29 2.15 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 2.86 2.81 0.00 1074 I 7.26 3.73 2.04 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 1.49 0.46 0.96 0.00 0.00 1075 V 7.52 3.33 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 0.79 0.00 0.00 0.71 0.00 0.00 1076 F 7.39 4.47 0.00 3.19 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 1077 H 8.54 4.29 0.00 3.51 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1078 L 8.21 3.90 0.00 1.75 1.69 0.25 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 1079 I 7.75 3.60 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 1.33 0.43 0.91 0.00 0.00 1080 E 8.10 3.92 0.00 2.12 1.97 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 2.31 2.38 0.00 1081 L 8.19 3.94 0.00 1.98 1.87 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1082 L 8.10 4.10 0.00 2.01 1.73 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 1083 K 8.12 4.01 0.00 1.86 2.06 0.00 1.78 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 1084 N 7.91 4.80 0.00 2.86 2.84 0.00 0.00 7.08 8.05 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 1085 N 8.08 4.34 0.00 2.96 2.97 0.00 0.00 6.84 7.63 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 1086 G 8.06 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 0.00 0.00 0.00 1087 R 8.14 4.65 0.00 1.84 1.80 0.00 3.27 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 1088 L 7.39 3.42 0.00 0.44 0.89 -0.74 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 1089 P 0.00 4.50 0.00 2.16 2.03 0.00 3.55 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 1090 R 7.81 3.32 0.00 0.67 1.43 0.00 3.33 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.00 1091 P 0.00 4.37 0.00 2.33 1.82 0.00 3.66 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 1092 D 8.48 4.50 0.00 2.68 2.64 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 1093 G 8.98 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 1094 C 7.78 4.33 0.00 3.04 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 1095 P 0.00 4.37 0.00 2.12 1.92 0.00 3.34 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 1096 D 9.00 4.47 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 1097 E 8.17 3.90 0.00 2.14 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 0.00 2.32 2.35 0.00 1098 I 7.52 3.62 1.44 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 -0.13 0.00 0.00 1099 Y 7.75 4.08 0.00 2.90 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 1100 M 8.12 3.90 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 1101 I 7.12 3.57 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.94 0.00 0.00 1102 M 7.27 3.12 0.00 0.51 1.59 0.00 0.00 0.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 1103 T 7.04 3.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1104 E 7.28 3.92 0.00 2.09 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 2.26 2.33 0.00 1105 C 7.46 4.28 0.00 2.62 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 1106 W 7.27 3.56 0.00 2.98 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 0.00 0.00 0.00 1107 N 7.87 4.75 0.00 2.92 2.94 0.00 0.00 7.24 7.79 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 1108 N 9.14 4.48 0.00 2.85 2.95 0.00 0.00 7.07 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1109 N 8.83 4.57 0.00 2.82 2.91 0.00 0.00 6.72 8.36 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 1110 V 8.65 3.64 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 0.95 0.00 0.00 1.00 0.00 0.00 1111 N 8.16 4.50 0.00 2.91 2.87 0.00 0.00 7.05 7.01 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 1112 Q 7.99 4.41 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 1113 R 7.34 4.47 0.00 1.99 1.86 0.00 3.38 0.00 0.00 3.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 1114 P 0.00 4.42 0.00 1.90 1.92 0.00 3.58 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 1.92 2.17 0.00 1115 S 8.09 4.55 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 1116 F 8.35 4.11 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1117 R 7.95 4.16 0.00 1.99 1.94 0.00 3.25 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 1118 D 7.90 4.34 0.00 2.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1119 L 7.97 3.93 0.00 1.63 1.56 0.43 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 1120 A 8.15 3.99 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 1121 L 7.77 3.92 0.00 1.98 1.75 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 1122 R 8.14 3.85 0.00 2.00 2.06 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 1123 V 8.04 3.63 2.23 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 1.17 0.00 0.00 1.08 0.00 0.00 1124 D 8.49 4.38 0.00 2.98 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 1125 Q 8.41 4.07 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 1126 I 7.81 3.71 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.92 0.00 0.00 1127 R 8.22 3.93 0.00 2.07 1.99 0.00 3.27 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 1128 D 8.46 4.48 0.00 2.83 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 1129 N 8.38 4.32 0.00 3.01 2.88 0.00 0.00 7.08 8.03 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 1130 M 8.12 4.09 0.00 2.01 2.37 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 1131 A 8.10 4.45 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 1132 G 7.53 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 1133 H 8.14 4.40 0.00 3.15 3.18 0.00 5.79 0.00 0.00 0.00 0.00 6.91 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.