NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 I 4.1521 7.8833 121.4517 60.7256 39.3223 177.1513 1003 I 3.4766 7.6542 119.5962 61.5914 36.9353 173.9209 *1005 E 4.1906 8.3474 124.0940 56.1556 32.4258 177.3294 1006 E 3.9297 7.9872 119.1979 59.1867 29.7067 178.4927 1007 A 4.0323 8.2529 121.0668 54.8577 18.2803 179.5190 1008 K 3.8549 7.9870 117.6626 59.5964 32.4305 178.4842 1009 K 3.8302 8.0675 119.8334 59.6568 31.9378 178.4480 1010 L 3.9167 7.8737 118.8094 57.8973 41.6200 179.4498 1011 I 3.5553 7.6508 119.3903 64.6905 37.1608 178.4537 1012 I 3.8508 8.0604 120.6563 64.6464 36.8944 178.1099 1013 E 3.9779 8.1945 120.0554 58.8298 29.4392 178.3111 1014 L 3.7247 8.0051 120.9359 58.1926 42.1520 178.8733 1015 F 4.2329 7.7459 117.4168 60.6623 38.6552 177.6342 1016 S 4.3311 8.0313 113.7306 62.3149 62.9232 176.0708 1017 E 3.9313 8.1901 120.4444 59.7326 29.2626 179.3265 1018 L 3.8720 8.2743 117.9760 58.2885 41.8028 179.9030 1019 A 3.9355 8.1052 120.3060 55.0326 18.1269 179.6254 1020 K 4.6763 7.9938 118.6709 59.0765 32.3781 178.8859 1021 I 3.9604 7.5300 119.9296 64.4855 36.9336 177.1700 1022 H 4.6852 8.0548 113.4427 55.7923 28.2831 175.8260 1023 G 3.8361 7.8174 107.9560 46.2173 0.0000 173.5903 1024 L 4.7660 7.8188 119.1670 51.9189 44.6739 175.6394 1025 N 4.8160 8.3527 117.4068 52.7973 40.1624 176.3224 1026 K 4.1200 8.7556 124.7422 60.5531 31.9154 179.1251 1027 S 4.0423 8.1966 115.6009 61.5454 62.8105 176.5600 1028 V 3.7010 7.8389 120.2514 66.3870 31.4420 178.3024 1029 G 3.6278 7.8493 103.5008 47.5048 0.0000 175.5749 1030 A 4.0797 8.3439 123.5753 55.0848 18.4982 179.9479 1031 V 3.5310 9.0571 117.4891 66.2488 31.6259 177.7049 1032 Y 3.9676 8.1555 119.0902 60.1447 38.6230 177.5964 1033 A 3.7568 7.7334 121.6007 55.2949 18.4613 179.1015 1034 I 3.6067 7.4318 117.7043 65.0310 37.0503 178.4299 1035 L 3.9062 7.5052 118.1234 58.1076 41.5781 178.7707 1036 Y 3.8124 7.6754 118.6255 60.1837 38.5743 177.5593 1037 L 4.1560 7.3961 118.1981 55.3973 42.6768 177.4684 1038 S 4.2086 7.5755 113.0944 58.5488 62.7396 173.4079 1039 D 4.8375 8.5609 123.7920 52.8304 40.0286 175.6627 1040 K 4.7001 7.5140 117.9826 54.3905 35.8433 174.1678 1041 P 4.8309 0.0000 0.0000 62.9434 32.2560 175.8985 1042 L 5.2213 8.9429 121.2799 53.3899 46.1335 176.9934 1043 T 4.7618 8.5424 113.0459 61.0224 71.0131 175.7542 1044 I 3.6272 8.4743 121.6816 64.7241 37.2073 178.1927 1045 S 4.2433 8.0214 113.1223 61.6989 62.7251 175.7387 1046 D 4.5098 8.0626 122.2281 57.0498 40.7806 180.9505 1047 I 3.9385 7.5514 121.4219 61.1472 37.3940 177.9314 *1049 E 4.3358 8.2208 120.0853 56.3387 31.4149 177.3682 1050 E 4.2480 7.8225 117.0818 57.7594 29.8222 177.3092 1051 L 4.5336 7.4151 115.6415 52.8859 43.9372 175.2053 1052 K 3.7669 8.1346 118.8835 56.1949 28.5119 173.9415 1053 I 4.3211 7.8001 112.7757 57.9462 39.6581 175.5516 1054 S 4.1772 8.5442 118.0088 58.5930 64.6291 175.6513 1055 K 4.1217 8.5968 122.4393 59.2060 31.7047 179.3998 1056 G 3.5028 7.8764 105.1861 47.8459 0.0000 174.7430 1057 N 4.3721 7.9813 118.6919 56.2206 39.0702 176.8480 1058 V 3.7440 7.4544 118.5488 65.8989 31.5931 178.6495 1059 S 4.1022 7.6755 110.7947 59.9300 62.5328 176.1663 *1061 S 4.3936 7.9985 120.3793 58.6948 64.9216 176.3426 1062 L 3.8870 8.0521 120.1375 57.7348 41.3903 179.4732 1063 K 3.9490 8.3176 118.8420 59.4179 31.8888 179.3114 1064 K 3.9763 7.9305 119.2972 59.5447 32.2444 178.7831 1065 L 4.1363 7.9584 118.7423 57.3180 41.2450 179.1613 1066 E 4.4085 7.9382 119.6231 58.3034 29.5813 178.4542 1067 E 4.0926 7.8547 117.4674 59.5217 29.6827 178.8739 1068 L 4.1815 7.8641 117.9849 58.0550 41.9398 178.5346 1069 G 3.9621 7.8998 103.4337 45.0985 0.0000 174.3756 1070 F 4.3004 8.1874 118.5540 59.0641 40.0891 175.3234 1071 V 5.2487 7.8840 118.0366 61.0646 35.1761 174.2873 1072 R 4.7763 8.6733 120.7277 54.3484 33.3185 174.2849 1073 K 4.1312 8.4875 119.4109 56.1782 33.2383 176.6298 1074 V 4.3593 8.4614 123.2036 60.8496 35.0670 174.3092 1075 W 5.2582 8.7929 126.6915 55.1157 30.8199 175.1868 1076 I 4.2622 8.2150 124.4696 58.8257 38.2023 175.0870 1077 K 3.8016 8.6686 126.0733 58.2637 32.2339 176.3169 1078 G 3.9011 8.8399 112.1067 45.8379 0.0000 172.4476 1079 E 4.7354 8.1625 120.0066 54.0106 31.7156 176.1043 1080 R 4.1629 8.5186 121.3048 57.6578 30.5018 177.0201 1081 K 4.2777 7.8136 116.8967 55.8059 33.0586 175.3580 1082 N 4.9752 8.4165 117.9050 52.4361 39.6916 175.1709 1083 Y 4.4453 8.7514 122.1392 57.6388 40.4971 173.7654 1084 Y 5.3490 8.6477 116.5387 57.3359 43.3242 174.1390 1085 E 5.1252 8.7468 116.6459 55.4185 33.4227 174.2676 1086 A 4.9259 8.5891 123.9902 51.4259 19.0757 177.7584 1087 V 3.7280 9.2162 124.3262 62.5830 33.0642 174.8129 1088 D 4.4152 9.2544 124.9953 55.0129 40.5212 177.5683 1089 G 3.8286 8.2839 113.5571 49.0542 0.0000 174.3542 1090 F 4.2635 8.0388 118.5537 59.5905 39.2115 177.8094 1091 S 4.1570 8.3490 112.8820 61.4332 62.1618 176.3988 1092 S 4.7369 7.8215 117.4323 60.4814 62.3667 176.5888 1093 I 3.7456 7.1679 122.9077 64.0407 37.0158 177.8487 1094 K 3.9137 7.8694 119.0870 59.8505 32.0015 178.4769 1095 D 4.3974 7.8737 118.4627 57.7870 40.7723 179.3229 1096 I 3.6062 7.4084 119.4244 64.5776 37.3773 178.3842 1097 A 4.0062 8.7325 121.6562 54.8519 17.9999 179.5545 1098 K 4.1891 8.0132 116.8172 58.8714 32.4333 179.4335 1099 R 3.8923 8.2059 118.5889 59.4288 30.2236 179.0789 1100 K 3.8268 8.2123 118.2201 59.9863 32.0682 178.6967 1101 H 4.4005 7.7289 118.2949 58.3404 29.7831 177.0211 1102 D 4.3659 8.2621 120.9426 56.8454 40.6746 178.7005 1103 L 3.9543 8.2134 119.9370 57.9854 41.7459 179.4033 1104 I 3.7076 7.6216 118.9427 64.4412 37.0152 178.4861 1105 A 4.0186 7.8040 120.9715 55.0203 18.2235 179.4385 1106 K 3.8433 8.1873 118.2695 60.0320 32.1854 179.1645 1107 T 3.8565 8.0539 115.8372 66.8908 68.2402 176.1586 1108 Y 4.2909 7.9348 120.0004 60.4759 38.9717 177.7164 1109 E 3.9044 8.4003 120.3946 59.2775 29.9818 178.3936 1110 D 4.3169 8.1584 118.9792 57.4451 40.6958 178.8535 1111 L 4.0148 8.1327 118.4007 57.3812 41.6878 179.3005 1112 K 3.9981 7.6888 118.6716 58.8068 31.9482 179.4181 1113 K 4.0319 7.8047 118.4106 58.9995 32.4810 178.9475 1114 L 4.1058 7.7534 117.8832 56.4885 41.9660 177.7319 1115 E 4.2768 7.5572 117.1966 57.1824 29.6796 177.7195 1116 E 4.0716 7.4647 118.2436 60.0048 29.6867 178.9663 1117 K 4.3322 7.7889 116.6043 58.7723 33.1317 177.6670 1118 C 4.2701 7.9634 125.8076 59.7855 30.8126 171.3052 1119 N 5.1380 7.7498 128.3599 53.0187 42.6219 175.0669 1120 E 3.7664 9.3814 121.2120 58.0176 27.5650 175.2393 1121 E 4.4819 9.3899 128.0907 57.4040 31.4692 176.7570 1122 E 4.2941 8.0831 119.3673 57.9012 28.3255 177.5229 1123 K 4.0999 8.0755 120.8531 58.8627 31.6469 177.8249 1124 E 4.2776 8.1960 118.7582 58.6047 29.3251 178.1866 1125 F 4.4168 8.8148 121.4935 61.4634 39.5610 177.2095 1126 I 3.3537 7.3949 118.8382 63.9030 36.6348 178.2296 1127 K 3.9598 7.4486 117.3406 59.5416 31.6062 178.4923 1128 Q 4.0412 7.4972 118.8302 58.8437 28.5381 178.6031 1129 K 4.0387 7.6621 119.0928 59.3394 32.4360 179.5525 1130 I 3.8790 7.6329 119.8776 63.9194 36.7858 177.9615 1131 K 4.3608 7.7109 117.2148 57.9376 32.1082 178.8630 1132 G 3.7885 7.7454 106.5372 47.3523 0.0000 176.0769 1133 I 3.9099 7.6678 120.1890 63.2797 37.5552 177.2830 1134 E 3.7035 8.0348 119.7919 57.6786 29.6045 176.5808 1135 R 4.0401 7.4822 118.2298 56.5871 30.7699 178.3937 *1137 K 4.1729 8.0258 121.1095 56.4565 33.8814 177.6180 1138 K 4.2524 7.3890 116.3162 58.9563 31.7943 179.2971 1139 I 4.0219 7.9323 120.8915 63.5787 37.3600 177.4801 1140 S 4.4959 7.8709 112.7141 59.4200 63.4025 175.7464 1141 E 3.9758 7.8535 122.3661 58.8555 29.0554 178.8350 1142 K 4.0180 7.4834 118.5168 59.1680 32.7078 179.3082 1143 I 3.7331 7.7575 119.7702 63.7289 36.8789 178.1925 1144 L 4.0726 7.5454 121.1834 57.7406 41.9558 177.7145 1145 E 3.8486 8.0376 117.8988 59.7181 29.3622 178.2853 1146 A 4.1312 9.9199 120.0021 55.3859 18.5167 179.5854 1147 L 4.0250 7.5735 116.3548 57.1998 41.7970 177.7624 1148 N 5.4012 7.9354 117.2932 52.8820 39.4576 175.2648 1149 D 4.8756 7.8211 116.9441 53.6946 43.3585 176.6766 1150 L 4.7720 7.1489 117.9939 53.7707 42.7315 176.1771 1151 D 4.1835 7.8908 124.1983 54.1827 38.6997 175.2624 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 1002 I 7.88 4.15 1.87 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 1.42 0.59 0.91 0.00 0.00 1003 I 7.65 3.48 1.88 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 1.30 0.26 0.92 0.00 0.00 *1005 E 8.35 4.19 0.00 2.07 2.13 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 2.28 2.37 0.00 1006 E 7.99 3.93 0.00 2.09 2.13 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 2.31 2.37 0.00 1007 A 8.25 4.03 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 1008 K 7.99 3.85 0.00 1.86 1.95 0.00 1.76 0.00 0.00 2.12 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.53 7.81 1009 K 8.07 3.83 0.00 2.01 2.15 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 1010 L 7.87 3.92 0.00 1.92 1.67 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 1011 I 7.65 3.56 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 1.27 0.00 0.00 1012 I 8.06 3.85 2.04 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 1.49 1.00 0.95 0.00 0.00 1013 E 8.19 3.98 0.00 2.15 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 2.28 2.32 0.00 1014 L 8.01 3.72 0.00 1.49 1.18 0.75 0.46 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 1015 F 7.75 4.23 0.00 3.17 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 1016 S 8.03 4.33 0.00 4.03 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 1017 E 8.19 3.93 0.00 2.15 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 0.00 2.56 2.49 0.00 1018 L 8.27 3.87 0.00 1.67 1.71 0.81 0.56 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 1019 A 8.11 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1020 K 7.99 4.68 0.00 1.74 1.93 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.34 7.81 1021 I 7.53 3.96 2.02 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 1.63 1.15 0.93 0.00 0.00 1022 H 8.05 4.69 0.00 3.06 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1023 G 7.82 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 1024 L 7.82 4.77 0.00 1.79 1.55 0.88 0.98 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 1025 N 8.35 4.82 0.00 2.72 2.72 0.00 0.00 6.53 7.64 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 1026 K 8.76 4.12 0.00 1.98 2.09 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 1027 S 8.20 4.04 0.00 3.87 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 1028 V 7.84 3.70 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 1.05 0.00 0.00 0.94 0.00 0.00 1029 G 7.85 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 1030 A 8.34 4.08 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 0.00 0.00 0.00 0.00 0.00 1031 V 9.06 3.53 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 0.94 0.00 0.00 0.89 0.00 0.00 1032 Y 8.16 3.97 0.00 2.96 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 1033 A 7.73 3.76 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1034 I 7.43 3.61 1.99 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 1.75 0.95 0.90 0.00 0.00 1035 L 7.51 3.91 0.00 1.57 1.66 0.99 0.87 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 1036 Y 7.68 3.81 0.00 1.70 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 1037 L 7.40 4.16 0.00 1.85 1.70 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 1038 S 7.58 4.21 0.00 3.91 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 1039 D 8.56 4.84 0.00 2.78 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 1040 K 7.51 4.70 0.00 1.82 1.77 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.44 7.81 1041 P 0.00 4.83 0.00 2.09 2.29 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 1042 L 8.94 5.22 0.00 1.63 1.55 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1043 T 8.54 4.76 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 0.44 0.00 0.00 1044 I 8.47 3.63 1.87 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 1.58 0.63 0.87 0.00 0.00 1045 S 8.02 4.24 0.00 4.00 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 1046 D 8.06 4.51 0.00 2.98 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 1047 I 7.55 3.94 1.95 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 1.51 1.31 0.87 0.00 0.00 *1049 E 8.22 4.34 0.00 2.11 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 0.00 2.21 2.44 0.00 1050 E 7.82 4.25 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 1051 L 7.42 4.53 0.00 1.56 1.66 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1052 K 8.13 3.77 0.00 1.89 1.84 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 1053 I 7.80 4.32 1.86 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 1.46 0.25 0.90 0.00 0.00 1054 S 8.54 4.18 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1055 K 8.60 4.12 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.49 7.81 1056 G 7.88 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1057 N 7.98 4.37 0.00 2.73 2.86 0.00 0.00 7.27 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 1058 V 7.45 3.74 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 0.87 0.00 0.00 0.93 0.00 0.00 1059 S 7.68 4.10 0.00 4.01 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 *1061 S 8.00 4.39 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1062 L 8.05 3.89 0.00 1.68 1.38 0.22 0.17 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 1063 K 8.32 3.95 0.00 1.77 1.88 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.73 7.81 1064 K 7.93 3.98 0.00 1.86 1.95 0.00 1.61 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.59 7.81 1065 L 7.96 4.14 0.00 1.94 1.81 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 1066 E 7.94 4.41 0.00 2.00 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 2.46 2.52 0.00 1067 E 7.85 4.09 0.00 2.26 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 2.36 2.37 0.00 1068 L 7.86 4.18 0.00 2.00 2.01 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 1069 G 7.90 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 1070 F 8.19 4.30 0.00 2.86 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 1071 V 7.88 5.25 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 1.30 0.00 0.00 1.16 0.00 0.00 1072 R 8.67 4.78 0.00 1.86 1.94 0.00 2.76 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 1073 K 8.49 4.13 0.00 1.47 1.43 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.61 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.83 1.28 7.81 1074 V 8.46 4.36 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 0.95 0.00 0.00 0.95 0.00 0.00 1075 W 8.79 5.26 0.00 3.36 2.89 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 1076 I 8.22 4.26 1.56 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.24 0.84 0.00 0.00 1077 K 8.67 3.80 0.00 1.69 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.45 7.81 1078 G 8.84 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 0.00 0.00 0.00 1079 E 8.16 4.74 0.00 2.11 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 2.72 2.42 0.00 1080 R 8.52 4.16 0.00 1.93 2.01 0.00 3.08 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 1081 K 7.81 4.28 0.00 1.66 1.67 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 1082 N 8.42 4.98 0.00 2.68 2.54 0.00 0.00 6.93 7.46 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 1083 Y 8.75 4.45 0.00 3.15 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 1084 Y 8.65 5.35 0.00 3.01 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 1085 E 8.75 5.13 0.00 1.98 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 0.00 2.21 2.29 0.00 1086 A 8.59 4.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1087 V 9.22 3.73 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 0.71 0.00 0.00 1.04 0.00 0.00 1088 D 9.25 4.42 0.00 2.87 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 1089 G 8.28 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 1090 F 8.04 4.26 0.00 3.24 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 1091 S 8.35 4.16 0.00 4.09 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 1092 S 7.82 4.74 0.00 3.53 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 1093 I 7.17 3.75 2.10 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 1.66 1.07 0.97 0.00 0.00 1094 K 7.87 3.91 0.00 2.05 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.76 7.81 1095 D 7.87 4.40 0.00 2.78 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 1096 I 7.41 3.61 1.98 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 1.37 0.68 0.92 0.00 0.00 1097 A 8.73 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1098 K 8.01 4.19 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.62 7.81 1099 R 8.21 3.89 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 1100 K 8.21 3.83 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.68 7.81 1101 H 7.73 4.40 0.00 3.44 3.47 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1102 D 8.26 4.37 0.00 2.73 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 1103 L 8.21 3.95 0.00 1.67 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 1104 I 7.62 3.71 1.84 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 1.46 1.07 0.90 0.00 0.00 1105 A 7.80 4.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1106 K 8.19 3.84 0.00 1.96 2.05 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.43 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.54 7.81 1107 T 8.05 3.86 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 1.23 0.00 0.00 1108 Y 7.93 4.29 0.00 2.99 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 1109 E 8.40 3.90 0.00 2.10 2.17 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 2.27 2.31 0.00 1110 D 8.16 4.32 0.00 2.85 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 1111 L 8.13 4.01 0.00 1.66 1.64 0.95 0.93 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 1112 K 7.69 4.00 0.00 1.79 1.67 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.43 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.82 1.07 7.81 1113 K 7.80 4.03 0.00 1.96 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.63 7.81 1114 L 7.75 4.11 0.00 1.72 1.69 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 1115 E 7.56 4.28 0.00 1.96 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 2.27 2.33 0.00 1116 E 7.46 4.07 0.00 2.07 1.98 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 2.48 2.47 0.00 1117 K 7.79 4.33 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 1118 C 7.96 4.27 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1119 N 7.75 5.14 0.00 3.06 2.61 0.00 0.00 7.12 7.65 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 1120 E 9.38 3.77 0.00 2.17 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 2.21 2.26 0.00 1121 E 9.39 4.48 0.00 1.93 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 2.23 2.33 0.00 1122 E 8.08 4.29 0.00 2.11 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 2.29 2.45 0.00 1123 K 8.08 4.10 0.00 1.75 1.84 0.00 1.81 0.00 0.00 1.94 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.38 7.81 1124 E 8.20 4.28 0.00 2.16 2.13 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 2.41 2.47 0.00 1125 F 8.81 4.42 0.00 3.13 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 1126 I 7.39 3.35 1.84 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 1.70 1.04 0.85 0.00 0.00 1127 K 7.45 3.96 0.00 1.91 1.89 0.00 2.09 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.72 7.81 1128 Q 7.50 4.04 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 1129 K 7.66 4.04 0.00 1.68 1.81 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.37 7.81 1130 I 7.63 3.88 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.23 1.02 0.00 0.00 1131 K 7.71 4.36 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.69 7.81 1132 G 7.75 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 1133 I 7.67 3.91 1.99 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 1.72 0.88 1.00 0.00 0.00 1134 E 8.03 3.70 0.00 2.32 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 2.01 1.66 0.00 1135 R 7.48 4.04 0.00 2.00 1.88 0.00 3.19 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 *1137 K 8.03 4.17 0.00 1.60 1.72 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.38 7.81 1138 K 7.39 4.25 0.00 1.95 1.80 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.53 7.81 1139 I 7.93 4.02 1.86 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 1.56 1.11 0.90 0.00 0.00 1140 S 7.87 4.50 0.00 4.08 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 1141 E 7.85 3.98 0.00 2.19 1.98 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 2.33 2.72 0.00 1142 K 7.48 4.02 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.65 7.81 1143 I 7.76 3.73 1.87 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 1.41 1.10 0.93 0.00 0.00 1144 L 7.55 4.07 0.00 1.95 1.69 0.90 0.74 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 1145 E 8.04 3.85 0.00 2.18 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 2.32 2.34 0.00 1146 A 9.92 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1147 L 7.57 4.02 0.00 1.99 1.76 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 1148 N 7.94 5.40 0.00 2.69 2.82 0.00 0.00 6.73 7.56 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 1149 D 7.82 4.88 0.00 2.79 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 1150 L 7.15 4.77 0.00 1.65 1.59 0.94 0.94 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 1151 D 7.89 4.18 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.