NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 P 4.4863 0.0000 0.0000 63.0312 33.8990 174.4402 1003 S 4.6028 8.2983 113.4261 56.0365 65.0172 172.3655 1004 I 4.6974 8.3175 120.6482 59.0546 41.3806 173.8249 1005 K 5.4028 8.5018 121.5786 54.9638 35.2983 174.7798 1006 L 5.3057 8.9663 123.6130 53.9590 43.9818 175.0039 1007 Q 5.1299 8.9791 124.0627 54.4304 30.6051 175.3133 1008 S 4.8826 8.9167 122.3965 58.1435 63.9011 175.3019 1009 S 4.2138 9.4171 114.5255 61.3687 63.1580 176.6882 1010 D 4.3479 8.2637 119.6688 55.8921 40.7362 177.0913 1011 G 4.0598 7.8247 106.0906 44.7288 0.0000 172.5954 1012 E 4.3814 8.1341 122.3756 55.2908 30.8641 175.3535 1013 I 4.7928 8.3939 128.1341 60.9411 38.4521 175.1541 1014 F 4.8122 9.5826 125.5318 55.6770 42.2259 174.2536 1015 E 5.0839 8.9355 122.3897 54.9929 30.9021 175.7233 1016 V 4.6220 8.5609 117.9746 59.0213 36.1002 175.2729 1017 D 4.7876 8.7765 124.3605 54.3380 41.5789 176.5962 1018 V 3.8219 7.6147 123.2544 63.3522 31.5846 174.5867 1019 E 4.4646 9.1357 121.3930 57.2184 27.5550 177.0921 1020 I 3.9512 7.4298 117.5822 63.8673 37.3347 177.8456 1021 A 4.2749 7.8996 121.1642 54.4664 18.3394 178.7730 1022 K 4.3674 7.7887 113.5237 57.3794 32.2214 177.5202 1023 Q 4.2074 7.8428 117.2740 56.4141 29.0492 176.0200 1024 S 4.7169 7.7052 114.0867 56.3048 64.2457 174.7410 1025 V 3.8099 8.2315 123.8180 64.3804 31.2269 178.8130 1026 T 3.8854 7.6934 115.7208 66.7309 68.3067 176.5769 1027 I 3.6541 7.6019 121.5631 64.1162 37.0592 178.3412 1028 K 3.8677 8.4190 120.8053 59.9905 32.0679 178.7847 1029 T 3.9757 8.5407 116.7023 67.1832 68.3658 176.5256 1030 M 4.1348 8.0677 120.3672 58.0895 31.4188 178.7394 1031 L 3.9750 8.0955 119.5097 57.9360 41.7279 179.3228 1032 E 4.0418 8.3479 117.9290 58.8255 29.5029 177.8739 1033 D 4.6608 7.9882 117.1849 56.0171 41.8919 177.7894 1034 L 4.1380 7.9235 116.1317 54.5678 42.7653 176.4996 1035 G 3.8358 7.8981 105.9787 45.2701 0.0000 173.8549 1036 M 4.2780 8.0375 117.0042 54.1130 33.1948 176.5663 1037 D 4.2889 8.3301 123.1447 51.9376 42.9357 172.0563 *1044 P 4.4821 0.0000 0.0000 62.8515 33.2420 175.7153 1045 V 4.2253 8.3056 119.8569 60.8804 32.2465 173.2511 1046 P 4.7956 0.0000 0.0000 62.3136 32.0200 177.1166 1047 L 4.9787 8.6042 124.6396 51.6528 41.6243 175.0038 1048 P 4.1383 0.0000 0.0000 65.8239 31.3997 177.7953 1049 N 4.3927 7.4343 112.6627 52.7292 38.9492 174.5983 1050 V 4.3106 7.8843 119.7453 60.3894 34.1338 174.5781 1051 N 5.0166 8.7605 125.8470 50.8831 40.3008 175.5545 1052 A 4.1678 9.0915 123.8568 55.7956 18.2865 180.2540 1053 A 4.0128 8.0766 118.3285 55.4497 18.6236 179.8428 1054 I 3.8278 8.2887 118.4554 64.3016 37.2113 178.1327 1055 L 3.8563 8.2092 121.6645 58.2745 41.3987 179.0838 1056 K 4.0764 8.1284 119.2318 59.1873 32.0944 178.7359 1057 K 4.1845 7.7220 118.8378 59.1885 32.1892 179.0188 1058 V 3.7184 8.4139 118.9740 66.2473 31.5361 177.9753 1059 I 3.8105 8.1651 119.8855 64.4328 36.5453 178.2266 1060 Q 4.1328 8.0163 119.9882 59.1648 28.8205 178.1633 1061 W 4.2275 8.2611 127.9970 60.5941 30.8858 177.4699 1062 C 4.3265 8.6862 117.2060 62.9416 27.4420 176.1225 1063 T 3.8606 7.8486 110.2081 64.6022 68.3184 175.0986 1064 H 4.0770 7.2734 117.3140 58.3391 30.1008 174.1449 1065 H 4.1580 7.7767 115.8642 55.1785 31.7998 170.6333 *1083 D 4.4031 8.3398 119.4828 55.1756 41.9413 174.4345 1084 D 4.9493 8.3911 117.6631 52.4353 43.6596 175.4954 1085 I 4.2962 8.0477 123.9323 58.9563 37.4916 174.1651 1086 P 4.4482 0.0000 0.0000 62.9290 31.8104 177.6578 1087 V 3.8577 8.2968 111.3512 63.5101 31.5289 178.7913 1088 W 4.1405 8.1802 128.1740 60.4834 30.6691 177.7239 1089 D 4.4205 8.3621 118.4773 57.3691 40.1307 178.2950 1090 Q 3.9873 7.6931 119.1924 59.0265 29.2202 177.7979 1091 E 4.0069 7.7909 120.4088 59.1932 29.5813 178.3065 1092 F 3.7146 8.0561 119.5813 60.6183 39.4344 176.0163 1093 L 4.4976 8.0855 117.1188 54.2052 41.3591 177.4553 1094 K 4.3003 7.6696 118.4923 56.8348 31.6469 177.9533 1095 V 3.7872 7.3461 118.5631 62.0856 32.8354 174.6466 1096 D 4.8547 8.1180 117.9707 51.4076 41.3827 175.6471 1097 Q 4.1990 8.1797 118.8966 57.4918 29.6526 175.6526 1098 G 4.3709 9.1743 113.5399 46.7458 0.0000 176.1996 1099 T 3.9298 7.8362 116.7764 65.9530 68.4396 176.6283 1100 L 3.9582 7.8202 121.8795 58.1193 41.9937 178.7598 1101 F 4.0138 8.2764 120.1536 61.3630 39.2908 176.8354 1102 E 4.1367 8.8103 118.6919 59.3089 29.2548 179.2654 1103 L 4.0113 8.3040 119.5625 57.7477 41.5986 179.5377 1104 I 3.6240 7.8860 119.9004 64.3683 37.0022 178.5524 1105 L 3.9032 7.6412 119.4765 57.6310 41.4025 179.3898 1106 A 4.1215 8.4560 121.0295 55.0034 18.2049 179.5944 1107 A 3.7817 8.3716 119.8264 55.1504 18.2154 179.4323 1108 N 4.1630 8.0643 114.5842 56.9022 39.1646 176.1551 1109 Y 4.2547 8.3201 119.7852 60.9034 39.3301 177.9312 1110 L 3.6964 8.5889 119.7974 54.8256 43.1339 174.9772 1111 D 4.4292 8.1599 118.7043 54.8824 39.0933 173.1308 1112 I 4.4407 6.8142 121.0247 57.9435 38.4254 176.4015 1113 K 3.9352 8.6680 124.8022 59.4359 32.1020 178.2009 1114 G 3.8611 8.1511 104.9174 47.9384 0.0000 175.1845 1115 L 2.8437 7.0128 122.9255 56.8972 41.9223 178.4142 1116 L 3.8006 7.8799 120.5713 58.2826 41.9714 178.6299 1117 D 4.3048 8.1077 118.5952 57.5226 40.9541 178.9214 1118 V 3.6846 7.7595 118.8276 66.2607 31.5530 178.2064 1119 T 3.9247 7.9573 109.3623 65.0199 68.8523 176.5732 1120 C 4.1065 8.2025 120.0509 62.1318 28.0879 175.8986 1121 K 3.9032 8.4601 121.5921 60.0515 31.5789 178.7971 1122 T 3.8784 7.5949 114.2042 66.7307 68.5688 176.4268 1123 V 3.8216 7.7178 119.4507 65.7411 31.5095 177.8048 1124 A 4.0094 8.0984 120.5722 55.5087 18.0666 179.3354 1125 N 4.0528 8.1744 113.1967 56.4615 38.6354 176.9593 1126 M 4.2809 8.0869 118.9177 57.2547 32.5384 177.7252 1127 I 4.4338 8.4753 120.6328 61.7145 37.7881 175.3357 1128 K 3.6062 7.8579 118.8920 59.3267 31.8462 175.3102 1129 G 3.6498 9.9262 112.3780 44.7710 0.0000 173.6391 1130 K 3.8958 8.2427 124.2396 55.9853 30.6748 178.5221 1131 T 3.8674 9.0913 110.3973 63.3163 70.7854 171.6499 1132 P 4.2583 0.0000 0.0000 66.1615 30.8743 178.7337 1133 E 4.0053 8.1692 117.8351 59.2144 28.8893 178.8745 1134 E 4.1372 8.0347 118.0230 59.0359 29.6597 179.0187 1135 I 3.9663 8.0612 120.3266 64.1392 36.9599 178.7415 1136 R 3.9938 7.8949 119.2721 59.4103 29.8753 178.9342 1137 K 3.4436 7.4822 116.0481 59.8960 32.0662 178.6952 1138 T 4.1352 7.5223 113.7199 64.7087 68.7885 175.5661 1139 F 4.5869 7.6622 115.8744 56.4316 40.6592 176.1908 1140 N 4.1152 9.4563 123.1128 51.8040 38.1379 172.7538 1141 I 3.0979 8.6339 116.8790 61.0059 37.7905 173.0455 1142 K 4.5568 8.1859 123.1313 54.3651 34.4316 176.2646 1143 N 4.6208 8.5151 124.2308 53.5981 36.9262 173.4238 1144 D 4.7255 7.8582 124.1252 52.9580 40.2830 176.8275 1145 F 4.8001 8.1167 118.7409 57.3977 40.3414 176.8200 1146 T 4.3781 8.4643 115.2015 61.0317 70.7048 175.4543 1147 E 3.8825 8.6889 120.4709 60.0824 29.4732 179.8082 1148 E 3.9615 8.0984 117.3293 59.5676 29.6835 178.9012 1149 E 3.9434 7.9084 118.4321 59.6625 29.5230 179.1706 1150 E 3.3676 8.4387 118.8748 59.0017 29.6286 178.4689 1151 A 3.8995 7.5363 119.6503 55.3290 18.4508 179.0515 1152 Q 3.8507 8.0545 117.7250 59.6411 29.1563 179.2435 1153 V 3.4688 7.7966 119.0912 65.9653 31.2319 178.2190 1154 R 3.8938 7.9042 117.3466 58.8562 30.1374 178.7712 1155 K 4.0508 8.1703 119.4611 59.6492 32.1023 178.4735 1156 E 4.0068 7.9455 117.5129 59.0793 29.4900 178.6573 1157 N 5.0501 7.5843 113.6541 51.8365 40.2402 174.8972 1158 Q 4.0883 7.6718 122.5919 55.9049 29.6094 175.0508 1159 W 4.7757 8.6586 134.8340 56.7962 32.8259 175.2763 1160 C 3.7075 7.5341 120.4809 60.2166 27.3231 173.1479 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 P 0.00 4.49 0.00 2.09 2.08 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 1003 S 8.30 4.60 0.00 3.93 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 1004 I 8.32 4.70 1.89 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 1.30 0.60 0.93 0.00 0.00 1005 K 8.50 5.40 0.00 1.87 2.15 0.00 1.47 0.00 0.00 2.12 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.49 7.81 1006 L 8.97 5.31 0.00 1.87 1.79 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1007 Q 8.98 5.13 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 1008 S 8.92 4.88 0.00 4.09 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 1009 S 9.42 4.21 0.00 3.85 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1010 D 8.26 4.35 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1011 G 7.82 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1012 E 8.13 4.38 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 2.02 2.19 0.00 1013 I 8.39 4.79 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.94 0.00 0.00 1014 F 9.58 4.81 0.00 3.06 2.99 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 1015 E 8.94 5.08 0.00 1.86 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 2.25 2.26 0.00 1016 V 8.56 4.62 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 1.03 0.00 0.00 0.99 0.00 0.00 1017 D 8.78 4.79 0.00 2.65 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 1018 V 7.61 3.82 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 0.66 0.00 0.00 0.94 0.00 0.00 1019 E 9.14 4.46 0.00 2.11 2.33 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 2.17 2.23 0.00 1020 I 7.43 3.95 2.05 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 1.44 0.46 0.95 0.00 0.00 1021 A 7.90 4.27 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 1022 K 7.79 4.37 0.00 1.75 1.86 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 1023 Q 7.84 4.21 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 1024 S 7.71 4.72 0.00 3.77 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 1025 V 8.23 3.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 1026 T 7.69 3.89 4.05 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 0.88 0.00 0.00 1027 I 7.60 3.65 1.96 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 1.37 0.58 0.91 0.00 0.00 1028 K 8.42 3.87 0.00 1.87 1.90 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.48 7.81 1029 T 8.54 3.98 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 1.19 0.00 0.00 1030 M 8.07 4.13 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 1031 L 8.10 3.97 0.00 1.85 1.70 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1032 E 8.35 4.04 0.00 1.93 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 2.49 0.00 1033 D 7.99 4.66 0.00 2.83 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 1034 L 7.92 4.14 0.00 1.79 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 1035 G 7.90 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 1036 M 8.04 4.28 0.00 2.17 2.03 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 2.60 2.72 0.00 1037 D 8.33 4.29 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1044 P 0.00 4.48 0.00 2.19 2.16 0.00 3.87 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 1.92 2.01 0.00 1045 V 8.31 4.23 2.11 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 0.99 0.00 0.00 1.01 0.00 0.00 1046 P 0.00 4.80 0.00 2.15 2.08 0.00 3.78 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 2.02 2.02 0.00 1047 L 8.60 4.98 0.00 1.83 1.77 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1048 P 0.00 4.14 0.00 2.10 2.21 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 1049 N 7.43 4.39 0.00 1.44 2.30 0.00 0.00 6.59 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 1050 V 7.88 4.31 2.11 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 1.02 0.00 0.00 1.08 0.00 0.00 1051 N 8.76 5.02 0.00 3.33 2.92 0.00 0.00 6.57 7.76 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 1052 A 9.09 4.17 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 0.00 0.00 0.00 0.00 0.00 1053 A 8.08 4.01 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 1054 I 8.29 3.83 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 1.42 0.78 0.92 0.00 0.00 1055 L 8.21 3.86 0.00 1.61 1.08 0.41 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1056 K 8.13 4.08 0.00 2.35 2.18 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.81 7.81 1057 K 7.72 4.18 0.00 2.17 2.00 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.33 1.62 7.81 1058 V 8.41 3.72 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 1059 I 8.17 3.81 2.13 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 1.66 0.97 1.03 0.00 0.00 1060 Q 8.02 4.13 0.00 2.50 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.97 2.72 0.00 1061 W 8.26 4.23 0.00 2.84 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.69 4.33 0.00 3.29 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1063 T 7.85 3.86 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 1.29 0.00 0.00 1064 H 7.27 4.08 0.00 2.40 2.74 0.00 5.89 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1065 H 7.78 4.16 0.00 2.65 2.86 0.00 5.93 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1083 D 8.34 4.40 0.00 2.67 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 1084 D 8.39 4.95 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1085 I 8.05 4.30 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.99 0.00 0.00 1086 P 0.00 4.45 0.00 2.50 2.13 0.00 3.73 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 1087 V 8.30 3.86 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 0.86 0.00 0.00 1.03 0.00 0.00 1088 W 8.18 4.14 0.00 3.43 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1089 D 8.36 4.42 0.00 2.99 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 1090 Q 7.69 3.99 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 1091 E 7.79 4.01 0.00 2.15 1.87 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 2.25 2.25 0.00 1092 F 8.06 3.71 0.00 1.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.50 0.00 1.82 1.67 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 1094 K 7.67 4.30 0.00 1.84 1.76 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.33 7.81 1095 V 7.35 3.79 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 0.74 0.00 0.00 0.69 0.00 0.00 1096 D 8.12 4.85 0.00 2.80 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 1097 Q 8.18 4.20 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 1098 G 9.17 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1099 T 7.84 3.93 4.35 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 1.15 0.00 0.00 1100 L 7.82 3.96 0.00 1.79 1.72 0.93 0.91 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 1101 F 8.28 4.01 0.00 3.15 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 1102 E 8.81 4.14 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.53 0.00 1103 L 8.30 4.01 0.00 1.86 1.69 0.95 0.75 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 1104 I 7.89 3.62 1.79 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 1.44 0.76 0.76 0.00 0.00 1105 L 7.64 3.90 0.00 1.74 1.67 0.97 1.05 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 1106 A 8.46 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1107 A 8.37 3.78 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 1108 N 8.06 4.16 0.00 2.75 2.98 0.00 0.00 7.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1109 Y 8.32 4.25 0.00 2.91 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 1110 L 8.59 3.70 0.00 1.71 1.61 0.95 1.08 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 1111 D 8.16 4.43 0.00 2.76 2.59 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 1112 I 6.81 4.44 1.70 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 1.58 0.63 0.75 0.00 0.00 1113 K 8.67 3.94 0.00 1.84 1.92 0.00 1.54 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.61 7.81 1114 G 8.15 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 0.00 0.00 0.00 1115 L 7.01 2.84 0.00 0.46 1.09 0.62 0.07 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 1116 L 7.88 3.80 0.00 1.66 1.73 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 1117 D 8.11 4.30 0.00 2.92 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 1118 V 7.76 3.68 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 1.22 0.00 0.00 1.18 0.00 0.00 1119 T 7.96 3.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1120 C 8.20 4.11 0.00 3.14 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 1121 K 8.46 3.90 0.00 1.99 1.98 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.51 7.81 1122 T 7.59 3.88 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 1123 V 7.72 3.82 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.06 0.00 0.00 1124 A 8.10 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.05 0.00 2.89 2.94 0.00 0.00 7.15 7.24 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 1126 M 8.09 4.28 0.00 1.95 2.55 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.55 0.00 1127 I 8.48 4.43 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.86 0.00 0.00 1128 K 7.86 3.61 0.00 1.74 1.80 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.62 7.81 1129 G 9.93 3.65 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 0.00 0.00 0.00 1130 K 8.24 3.90 0.00 1.89 1.85 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.30 7.81 1131 T 9.09 3.87 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1132 P 0.00 4.26 0.00 2.30 2.33 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 1133 E 8.17 4.01 0.00 2.10 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 2.42 2.49 0.00 1134 E 8.03 4.14 0.00 2.16 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 2.41 2.41 0.00 1135 I 8.06 3.97 2.06 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 1.57 1.63 0.94 0.00 0.00 1136 R 7.89 3.99 0.00 2.00 2.23 0.00 3.20 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 1137 K 7.48 3.44 0.00 1.91 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.67 7.81 1138 T 7.52 4.14 4.42 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 0.00 0.00 0.00 0.71 0.00 0.00 1139 F 7.66 4.59 0.00 2.98 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 1140 N 9.46 4.12 0.00 2.84 2.77 0.00 0.00 7.20 5.97 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 1141 I 8.63 3.10 1.92 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 1.34 0.73 0.90 0.00 0.00 1142 K 8.19 4.56 0.00 1.66 1.61 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.37 7.81 1143 N 8.52 4.62 0.00 2.78 2.78 0.00 0.00 7.05 8.47 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 1144 D 7.86 4.73 0.00 2.68 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 1145 F 8.12 4.80 0.00 3.30 3.02 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 1146 T 8.46 4.38 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 1.26 0.00 0.00 1147 E 8.69 3.88 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 1148 E 8.10 3.96 0.00 2.02 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 2.40 2.41 0.00 1149 E 7.91 3.94 0.00 2.35 2.21 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 2.41 2.41 0.00 1150 E 8.44 3.37 0.00 2.06 1.93 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 2.24 2.18 0.00 1151 A 7.54 3.90 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 1152 Q 8.05 3.85 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 1153 V 7.80 3.47 1.65 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 0.74 0.00 0.00 0.54 0.00 0.00 1154 R 7.90 3.89 0.00 1.91 1.94 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 1155 K 8.17 4.05 0.00 1.80 1.94 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 1156 E 7.95 4.01 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 1157 N 7.58 5.05 0.00 2.79 2.84 0.00 0.00 7.02 7.33 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 1158 Q 7.67 4.09 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 1159 W 8.66 4.78 0.00 3.32 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 1160 C 7.53 3.71 0.00 3.18 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 * Residues marked with a * may have inaccurate shift predictions.