NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 4.4755 8.1627 120.3275 55.4127 34.4450 177.1949 1002 L 3.7848 7.9204 119.8107 57.5874 41.9054 177.4489 1003 K 3.9920 8.7967 119.2560 59.5404 32.5581 178.1349 1004 N 4.4100 8.2685 116.2247 56.7138 38.4240 177.4676 1005 V 3.8134 7.9434 119.2792 65.8382 31.5774 177.5316 1006 E 4.0227 8.4489 119.2360 59.4088 29.4362 178.8065 1007 V 3.6706 8.2930 118.4301 66.0117 31.7170 177.3337 1008 F 4.6450 9.0469 120.7437 61.5572 39.2297 177.2521 1009 W 4.2194 8.7081 127.6671 60.5460 30.5440 177.4568 1010 Q 3.8594 8.4037 119.6073 59.4052 28.3884 177.8969 1011 N 4.2540 8.9139 118.1921 56.8387 38.7258 176.5145 1012 F 4.0268 7.7980 120.6678 61.1320 39.7007 176.7050 1013 L 3.5401 7.9405 118.8844 57.7010 41.3671 178.9281 1014 D 4.2336 8.0244 118.4742 57.5935 40.6782 178.9457 1015 K 3.6765 7.8041 118.5726 59.0293 32.0560 176.7790 1016 H 4.4886 7.2848 112.4685 54.3320 29.2541 174.4217 1017 E 3.5906 7.7248 115.2242 56.2598 26.5368 173.1331 1018 L 4.2018 7.2464 116.2878 54.6054 43.0212 174.3958 1019 D 4.6791 8.6461 122.2414 53.2978 42.0899 175.3855 1020 M 4.8891 8.1710 124.4573 53.9978 36.1454 174.7339 1021 L 4.3502 8.5159 122.8149 54.4718 42.5792 176.7334 1022 M 2.7715 8.3415 120.8782 54.7779 33.0038 175.4365 1023 P 4.4770 0.0000 0.0000 62.5377 33.6005 175.1445 1024 D 4.7990 8.3962 116.6213 54.3901 42.8355 175.8430 1025 V 4.7508 7.9600 113.6461 59.4679 34.6756 174.9202 1026 W 4.8625 8.0446 121.1337 56.1299 31.8147 172.7641 1027 M 5.1978 8.7180 117.1609 53.3857 33.6099 175.8142 1028 F 4.4569 8.9411 118.9864 58.0534 38.7140 174.3516 1029 G 4.3260 9.0388 108.1415 44.2547 0.0000 174.4511 1030 D 4.5818 8.9074 118.0697 56.6471 41.2072 175.6927 1031 G 3.4885 7.1366 108.5321 45.4362 0.0000 174.8301 1032 S 4.3417 7.8554 117.0737 58.1967 65.0321 175.3285 1033 S 4.3113 8.5976 118.7308 61.6130 62.8267 176.3181 1034 E 3.9362 8.1470 121.9335 59.6324 29.2417 178.5537 1035 M 4.1918 8.0524 118.1914 58.7777 32.1889 178.6915 1036 G 3.9959 8.0772 105.3405 47.7058 0.0000 175.5739 1037 N 4.3585 8.5607 119.4139 55.9557 38.6382 177.4183 1038 R 3.8694 8.3704 120.4086 59.6868 30.1390 178.6176 1039 L 4.0602 8.3671 119.1258 57.6095 41.5695 179.8095 1040 G 3.7209 8.3596 106.0544 47.7611 0.0000 175.9089 1041 Q 3.9699 8.4599 120.6775 58.9303 28.8280 178.5837 1042 L 3.9573 7.8801 119.9362 57.8089 41.5514 180.0598 1043 V 3.8108 7.4897 119.1734 65.6313 31.4011 178.2729 1044 V 3.6826 7.5498 116.4655 66.2606 31.3348 177.8742 1045 S 4.3201 8.3120 114.6198 59.5620 62.7287 175.4405 1046 G 4.0113 8.0824 108.7199 45.2392 0.0000 174.4252 1047 R 3.9496 7.7260 118.6082 57.4770 30.5432 176.1593 1048 K 4.4729 8.0966 120.1222 55.1153 32.6873 175.5650 1049 T 3.7394 8.7902 117.8814 60.4744 69.7679 173.2510 1050 A 5.2248 7.5979 120.9884 52.4155 22.3815 176.0959 1051 T 5.1594 9.4092 112.9576 61.2050 71.4230 172.2877 1052 C 6.3000 9.3630 120.4697 55.6141 32.9981 173.0222 1053 S 5.1079 8.5460 113.9402 56.4024 66.8612 172.9760 1054 S 4.1884 8.6848 115.8780 58.0835 62.9896 173.7965 1055 L 4.1969 8.6377 130.3302 58.4683 42.1415 178.4155 1056 D 4.4545 8.2349 116.6184 57.5450 40.7828 178.1902 1057 I 3.5066 7.0810 117.5392 63.3973 38.1382 175.8769 1058 Y 4.0890 8.0659 118.4011 57.8171 38.2234 176.3767 1059 K 4.3374 8.9738 124.2884 54.7211 30.9316 177.2001 1060 M 3.8221 8.1868 123.7480 57.7814 32.2109 177.5897 1061 E 4.4996 8.0810 115.1969 56.3993 30.9489 176.2673 1062 E 4.4383 8.2227 117.5006 56.7809 30.5419 175.2370 1063 E 4.7133 7.7919 114.3734 55.1899 32.6239 173.6047 1064 Q 4.6699 8.2831 117.4719 53.8890 31.6478 175.4865 1065 L 4.1375 7.9469 119.1193 52.7283 42.7548 175.3492 1066 P 4.4673 0.0000 0.0000 63.5507 31.4262 175.8231 1067 K 4.5867 9.0184 120.6642 53.8642 34.8722 175.5962 1068 A 4.1944 8.2559 123.8988 53.9294 18.7087 178.3707 1069 G 3.9153 10.1251 111.4531 44.8499 0.0000 173.8062 1070 Q 4.4682 7.6042 118.0806 55.9605 30.5326 174.5047 1071 Y 5.6260 8.5029 116.5418 55.9454 41.1732 175.0022 1072 D 4.8516 8.4214 119.6131 52.9800 46.0556 174.0761 1073 I 4.6135 8.5824 123.0014 59.7983 38.7948 174.6497 1074 I 4.2766 8.9305 128.9630 59.6968 38.9580 174.9338 1075 L 4.7812 8.3082 125.8786 53.0428 45.3728 175.8282 1076 D 4.7692 8.7873 121.3599 51.9801 41.6543 177.4325 1077 G 3.8485 8.9222 106.6005 48.3593 0.0000 174.2057 1078 Q 4.3543 8.1953 116.6865 55.3195 28.9346 175.3699 1079 S 3.8206 8.4277 113.1635 59.9210 60.7228 170.9575 1080 Q 4.5385 8.4389 118.9528 52.8202 30.6997 173.8975 1081 P 4.4488 0.0000 0.0000 63.5360 31.7027 175.2399 1082 L 4.5892 9.5985 121.3700 55.6847 44.2367 175.9688 1083 A 5.0107 7.2332 117.5432 51.8433 22.7523 174.3382 1084 I 4.9319 8.5429 119.2028 59.2593 41.1208 174.4067 1085 I 5.2099 8.5517 121.2434 59.0930 41.3840 173.9017 1086 R 4.7599 8.9747 123.8824 54.8023 32.1527 174.7028 1087 T 4.9759 8.6755 123.8548 63.5362 69.1981 175.3033 1088 T 4.5170 9.0024 117.3659 61.8869 69.9061 174.4451 1089 K 4.3244 7.5160 121.7549 56.2646 35.7586 173.5706 1090 V 4.8611 8.3776 123.5387 61.4632 34.2242 173.6766 1091 E 4.6791 8.9684 128.6824 54.3481 32.9008 174.4387 1092 I 4.6270 8.2261 126.8380 60.9895 38.5100 175.1221 1093 M 4.7879 8.7164 124.8638 53.3904 36.9327 172.8641 1094 P 4.8168 0.0000 0.0000 62.2848 32.6472 177.0914 1095 M 4.3762 9.1103 123.0926 58.9338 32.1349 178.7309 1096 N 4.3527 7.6226 113.2912 52.5377 37.3613 175.7113 1097 K 4.2441 7.5461 114.6532 58.1739 35.1073 174.7547 1098 V 3.6019 7.3194 117.1118 62.3417 31.9503 176.5231 1099 S 4.2766 8.3377 122.2356 57.9034 65.1118 174.9913 1100 E 3.7804 8.6610 124.5884 58.5137 29.2379 179.0847 1101 S 4.0090 7.8254 112.9796 61.7553 62.6178 175.5356 1102 F 4.2577 8.0579 123.0619 61.1393 39.2065 176.7851 1103 A 3.6921 8.0356 120.9811 55.3433 17.7507 179.6154 1104 Q 4.1203 7.8217 114.6547 59.1560 29.1517 178.1204 1105 A 4.0182 7.5910 121.5712 53.9559 18.1045 178.6119 1106 E 4.5597 7.6469 114.4799 56.1622 31.5719 177.3006 1107 G 4.3058 8.7236 113.7571 45.0456 0.0000 175.7022 *1113 L 4.5768 8.4169 121.7748 54.6297 42.3076 177.1087 1114 D 4.6640 8.1914 116.9859 56.2035 42.3077 176.9222 1115 Y 4.3986 8.6284 117.5152 59.5604 37.9915 177.2380 1116 W 3.5634 7.1534 130.1367 60.5448 30.5762 177.1184 1117 Y 4.4036 8.4399 118.4747 60.9337 38.5250 177.2355 1118 E 3.9251 8.5765 119.0161 59.8096 29.5183 179.0886 1119 E 3.8668 8.7287 118.9624 59.7309 29.6828 178.6537 1120 H 3.6826 8.2041 116.3017 58.4856 28.5370 177.6891 1121 A 4.2212 8.4849 123.2912 55.0318 18.0921 179.7165 1122 R 3.6544 7.7344 116.8591 59.3161 30.0216 178.3521 1123 F 3.8853 8.1309 120.6553 61.5534 39.3281 177.2214 1124 F 4.4381 8.4804 117.6009 60.1786 38.5879 177.7407 1125 K 3.9806 8.2848 118.8088 58.9551 32.1185 178.3042 1126 E 4.1050 7.5646 118.3657 58.9695 29.5283 178.1298 1127 E 3.8918 7.4919 117.9144 59.4634 29.8611 178.6480 1128 L 4.4353 8.5996 118.8559 57.7342 41.4444 179.0527 1129 A 3.9122 7.5545 119.6787 54.8949 18.4550 177.6878 1130 P 4.1194 0.0000 0.0000 66.8412 31.5981 176.4016 1131 Y 4.7773 8.1233 118.3105 57.8288 38.5443 177.2128 1132 Q 4.3705 8.5876 119.4842 55.1834 28.1213 176.5277 1133 L 4.4751 7.8302 127.5036 55.4730 39.2455 181.2908 1134 Q 4.3488 7.6192 116.9180 57.1127 26.6005 175.2299 1135 F 4.4230 8.0507 127.3071 58.8286 40.4052 174.1278 1136 Y 4.6865 6.8720 122.8461 55.9717 42.0228 174.3137 1137 P 4.6790 0.0000 0.0000 64.8646 31.8993 178.4142 1138 D 4.3830 8.7283 116.9621 57.9886 41.3488 176.2543 1139 M 3.4290 7.2195 116.5995 50.7334 32.2326 176.0291 1140 L 4.8129 8.5167 123.6280 53.7042 43.8304 175.5522 1141 L 4.9464 9.3738 123.9091 52.9526 45.5269 176.2031 1142 V 4.1267 8.7697 123.2774 62.0994 32.2033 174.5347 1143 C 4.7131 8.8677 127.5032 58.5282 28.8065 172.4276 1144 Q 5.1066 9.2209 124.2207 54.9033 30.2964 175.1756 1145 S 5.3604 8.9988 120.9010 57.4568 64.9177 173.5554 1146 F 5.4031 8.3199 118.8732 55.9216 41.3931 173.1666 1147 E 4.8655 9.2190 114.6835 55.1073 33.0832 174.6151 1148 V 4.1981 8.5990 122.2033 62.7745 32.1735 176.0130 1149 V 4.5199 9.1903 120.1082 59.8641 32.4034 174.9901 1150 D 5.0394 7.3785 124.0509 54.3953 43.1725 175.5256 1151 L 5.0673 8.4371 123.1491 54.5076 43.1271 174.5500 1152 Y 3.4063 7.7933 123.8615 58.1311 39.5028 177.1266 1153 T 4.3167 6.9881 116.0092 60.3436 68.8138 173.0145 *1162 H 4.3756 7.7557 120.0924 57.0166 31.2930 172.1323 1163 H 4.7486 8.5378 123.1778 54.8627 30.4109 174.2653 1164 H 4.8659 8.3852 116.8727 54.7189 31.5049 172.7704 1165 H 4.8630 8.9243 121.9612 54.2812 30.4226 174.3953 1166 H 4.4355 8.8439 122.8752 56.2152 29.7550 174.0730 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 1001 M 8.16 4.48 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 1002 L 7.92 3.78 0.00 1.76 1.67 0.98 0.39 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 1003 K 8.80 3.99 0.00 1.87 1.89 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.55 7.81 1004 N 8.27 4.41 0.00 2.91 2.77 0.00 0.00 6.70 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1005 V 7.94 3.81 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 1.07 0.00 0.00 0.91 0.00 0.00 1006 E 8.45 4.02 0.00 2.32 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 2.41 2.41 0.00 1007 V 8.29 3.67 2.47 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 1.06 0.00 0.00 1.12 0.00 0.00 1008 F 9.05 4.64 0.00 3.40 3.44 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 0.00 1009 W 8.71 4.22 0.00 3.40 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 1010 Q 8.40 3.86 0.00 2.46 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 1011 N 8.91 4.25 0.00 3.07 3.07 0.00 0.00 6.93 8.35 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 1012 F 7.80 4.03 0.00 2.95 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 1013 L 7.94 3.54 0.00 1.72 1.53 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 1014 D 8.02 4.23 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1015 K 7.80 3.68 0.00 1.68 1.77 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.96 1.32 7.81 1016 H 7.28 4.49 0.00 2.63 2.99 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1017 E 7.72 3.59 0.00 1.95 1.85 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 2.19 2.29 0.00 1018 L 7.25 4.20 0.00 1.59 1.49 0.68 0.64 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 1019 D 8.65 4.68 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.17 4.89 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 1021 L 8.52 4.35 0.00 1.71 1.64 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1022 M 8.34 2.77 0.00 1.76 1.72 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 1.90 2.18 0.00 1023 P 0.00 4.48 0.00 2.14 1.80 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.00 1024 D 8.40 4.80 0.00 2.91 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 1025 V 7.96 4.75 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 0.60 0.00 0.00 0.91 0.00 0.00 1026 W 8.04 4.86 0.00 3.33 3.08 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 1027 M 8.72 5.20 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 1028 F 8.94 4.46 0.00 3.21 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 1029 G 9.04 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 1030 D 8.91 4.58 0.00 2.76 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 1031 G 7.14 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1032 S 7.86 4.34 0.00 4.23 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 1033 S 8.60 4.31 0.00 4.08 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 0.00 1034 E 8.15 3.94 0.00 2.09 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 2.40 2.44 0.00 1035 M 8.05 4.19 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 1036 G 8.08 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 0.00 0.00 0.00 0.00 1037 N 8.56 4.36 0.00 2.98 2.89 0.00 0.00 6.68 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1038 R 8.37 3.87 0.00 1.88 1.93 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 1039 L 8.37 4.06 0.00 2.06 1.64 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 1040 G 8.36 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1041 Q 8.46 3.97 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 1042 L 7.88 3.96 0.00 1.77 1.68 0.89 0.75 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 1043 V 7.49 3.81 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 1.33 0.00 0.00 0.77 0.00 0.00 1044 V 7.55 3.68 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 0.94 0.00 0.00 1.04 0.00 0.00 1045 S 8.31 4.32 0.00 4.02 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 1046 G 8.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 R 7.73 3.95 0.00 1.90 1.97 0.00 3.17 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 1048 K 8.10 4.47 0.00 1.69 1.50 0.00 1.35 0.00 0.00 1.22 0.00 0.00 2.54 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.40 7.81 1049 T 8.79 3.74 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 1.05 0.00 0.00 1050 A 7.60 5.22 1.21 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 1051 T 9.41 5.16 5.06 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 1.69 0.00 0.00 1052 C 9.36 6.30 0.00 3.27 3.37 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 1053 S 8.55 5.11 0.00 3.99 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 1054 S 8.68 4.19 0.00 3.74 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 1055 L 8.64 4.20 0.00 1.65 1.77 0.87 0.93 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 1056 D 8.23 4.45 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.08 3.51 1.69 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.59 0.58 0.00 0.00 1058 Y 8.07 4.09 0.00 3.07 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 1059 K 8.97 4.34 0.00 1.81 1.75 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.33 7.81 1060 M 8.19 3.82 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 1061 E 8.08 4.50 0.00 1.93 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 2.22 2.24 0.00 1062 E 8.22 4.44 0.00 1.94 2.00 0.00 0.00 0.00 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 2.22 0.00 1063 E 7.79 4.71 0.00 2.08 1.91 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 2.27 2.49 0.00 1064 Q 8.28 4.67 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 1065 L 7.95 4.14 0.00 1.45 1.21 0.69 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 1066 P 0.00 4.47 0.00 2.27 2.12 0.00 3.31 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 1067 K 9.02 4.59 0.00 1.77 1.72 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 1068 A 8.26 4.19 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 1069 G 10.13 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 0.00 0.00 0.00 1070 Q 7.60 4.47 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.66 2.38 0.00 1071 Y 8.50 5.63 0.00 2.92 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 1072 D 8.42 4.85 0.00 2.45 2.40 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 1073 I 8.58 4.61 1.73 0.00 0.00 0.52 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 0.27 0.89 0.00 0.00 1074 I 8.93 4.28 1.86 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.07 0.94 0.00 0.00 1075 L 8.31 4.78 0.00 1.44 1.52 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1076 D 8.79 4.77 0.00 2.79 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 1077 G 8.92 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 0.00 0.00 0.00 1078 Q 8.20 4.35 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 1079 S 8.43 3.82 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1080 Q 8.44 4.54 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 1081 P 0.00 4.45 0.00 1.25 1.68 0.00 3.28 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.68 0.00 1082 L 9.60 4.59 0.00 1.74 1.75 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 1083 A 7.23 5.01 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 1084 I 8.54 4.93 1.66 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.48 0.31 0.00 0.00 1085 I 8.55 5.21 2.05 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.48 0.89 0.00 0.00 1086 R 8.97 4.76 0.00 1.68 1.79 0.00 2.21 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.23 0.00 1087 T 8.68 4.98 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 1.42 0.00 0.00 1088 T 9.00 4.52 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 1.25 0.00 0.00 1089 K 7.52 4.32 0.00 1.83 1.66 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.31 7.81 1090 V 8.38 4.86 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 0.80 0.00 0.00 1.02 0.00 0.00 1091 E 8.97 4.68 0.00 1.98 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 2.06 2.16 0.00 1092 I 8.23 4.63 1.78 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 1.25 0.86 0.82 0.00 0.00 1093 M 8.72 4.79 0.00 1.79 1.68 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 1094 P 0.00 4.82 0.00 2.26 2.12 0.00 3.56 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 1095 M 9.11 4.38 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.86 0.00 1096 N 7.62 4.35 0.00 2.70 2.64 0.00 0.00 6.84 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 1097 K 7.55 4.24 0.00 1.62 1.84 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.41 7.81 1098 V 7.32 3.60 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.96 0.00 0.00 1099 S 8.34 4.28 0.00 4.05 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 1100 E 8.66 3.78 0.00 2.03 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 2.36 2.39 0.00 1101 S 7.83 4.01 0.00 3.91 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 1102 F 8.06 4.26 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.37 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.64 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 1133 L 7.83 4.48 0.00 1.91 2.02 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1134 Q 7.62 4.35 0.00 2.65 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 1135 F 8.05 4.42 0.00 3.05 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 1136 Y 6.87 4.69 0.00 2.82 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 1137 P 0.00 4.68 0.00 2.24 2.31 0.00 3.99 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 2.22 2.24 0.00 1138 D 8.73 4.38 0.00 2.62 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 1139 M 7.22 3.43 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 1140 L 8.52 4.81 0.00 1.51 1.49 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1141 L 9.37 4.95 0.00 1.49 1.52 1.27 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 1142 V 8.77 4.13 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 0.82 0.00 0.00 0.64 0.00 0.00 1143 C 8.87 4.71 0.00 2.51 1.64 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 1144 Q 9.22 5.11 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 1145 S 9.00 5.36 0.00 3.87 3.81 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 1146 F 8.32 5.40 0.00 3.22 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 1147 E 9.22 4.87 0.00 2.11 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 2.47 2.36 0.00 1148 V 8.60 4.20 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 1.01 0.00 0.00 1.13 0.00 0.00 1149 V 9.19 4.52 2.35 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 0.94 0.00 0.00 1.18 0.00 0.00 1150 D 7.38 5.04 0.00 3.03 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1151 L 8.44 5.07 0.00 2.11 1.74 1.00 0.66 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 1152 Y 7.79 3.41 0.00 2.08 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 1153 T 6.99 4.32 4.14 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 1.20 0.00 0.00 *1162 H 7.76 4.38 0.00 3.18 3.25 0.00 5.71 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 1163 H 8.54 4.75 0.00 3.10 3.10 0.00 5.89 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 1164 H 8.39 4.87 0.00 3.04 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1165 H 8.92 4.86 0.00 3.10 3.25 0.00 5.87 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 1166 H 8.84 4.44 0.00 3.13 3.15 0.00 5.76 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.