NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 A 4.3402 8.2649 123.5830 51.9134 19.9416 175.9515 1003 E 4.5370 8.4674 121.7767 53.2499 32.2123 174.0052 1004 D 4.4488 8.7703 123.0212 54.3256 43.2559 175.1372 1005 G 4.1826 8.1946 112.4599 45.3288 0.0000 171.5101 1006 P 4.4989 0.0000 0.0000 63.7816 31.4486 177.2652 1007 Q 4.1233 7.9018 117.8882 58.3635 29.1989 176.3943 1008 K 4.0473 7.2896 117.8531 56.4427 32.7391 176.4494 1009 Q 4.2951 8.5861 122.6256 56.0834 29.7304 175.1566 1010 Q 5.1281 8.6080 121.3779 54.1654 33.3959 174.3377 1011 L 4.7774 9.0268 120.9445 53.1678 45.2774 175.9819 1012 E 5.4939 8.9336 124.3320 52.9961 32.3881 172.6631 *1014 P 4.2220 0.0000 0.0000 62.4551 32.1991 175.6839 1015 L 4.6808 8.4605 120.5545 53.6857 42.6343 176.1044 1016 V 4.4026 8.9309 125.2106 60.6608 33.6493 174.8656 1017 L 2.8983 8.3614 129.6889 55.3431 42.7131 176.6548 1018 D 4.7213 8.7033 127.1760 52.4445 40.2792 176.2352 1019 Q 4.0159 8.4943 122.9420 58.7395 29.0739 178.0565 1020 D 4.5227 8.0332 119.3388 56.1847 39.3557 178.1528 1021 L 3.9739 7.8436 120.7594 57.9764 42.1633 178.6868 1022 T 4.0825 7.8739 114.9957 66.7489 68.6787 176.0164 1023 Q 4.1709 8.5370 121.8441 59.0877 28.9912 178.4541 1024 Q 4.0627 8.0675 116.7385 57.1782 28.8478 177.9160 *1026 R 4.2434 7.8744 118.6698 55.8357 32.3577 177.4822 1027 L 3.9223 8.2604 119.3550 58.1595 41.9595 178.7375 1028 R 3.8846 7.9845 118.5416 59.8841 29.8709 178.9147 1029 V 3.6810 7.7552 111.4254 64.0922 31.4755 178.0944 1030 E 3.8880 8.1919 119.1713 59.4301 29.5977 178.8541 1031 S 4.1210 8.5662 115.4468 61.8731 63.0606 176.7774 1032 L 4.0254 7.9632 121.3356 57.6618 41.2366 179.9543 1033 K 3.9498 7.7920 118.1146 59.6985 32.0082 179.3906 1034 Q 4.1425 8.1483 117.0319 58.6189 28.7020 178.5302 1035 R 4.4266 8.0573 116.5980 55.0954 30.6507 176.9511 1036 G 3.9539 8.0256 106.7431 46.2800 0.0000 173.8450 1037 E 4.2949 7.8269 118.0505 55.2332 30.3917 176.2257 1038 K 4.4147 8.1617 121.8987 54.7476 33.5493 176.6614 1039 K 4.2480 8.2562 123.3580 56.3060 33.5796 176.7207 1040 Q 4.0397 8.7573 119.0553 55.7086 29.1299 175.9558 1041 D 4.1965 8.3926 119.5153 57.0856 40.6899 176.4238 1042 G 3.9317 8.8130 115.6287 44.7344 0.0000 172.0908 1043 E 4.2093 7.7000 120.4232 56.0820 30.5857 175.9011 1044 K 4.4507 8.7740 126.8054 54.8064 33.4895 175.2648 1045 L 4.6164 8.3377 127.7050 52.9871 43.3524 176.4263 1046 I 3.9944 8.3017 124.0120 60.7836 38.4771 175.8122 1047 R 4.2522 9.4787 128.1484 55.0522 30.5995 176.0686 1048 P 4.1993 0.0000 0.0000 65.6290 31.3126 177.1531 1049 A 4.3588 8.0634 120.3141 53.1807 19.0544 176.1031 1050 E 5.3598 8.1754 115.8892 55.1633 31.4370 176.0054 1051 S 4.9384 9.2844 118.0333 56.9124 67.8862 173.1777 1052 V 4.8787 8.6514 123.2485 62.6313 32.7983 174.5424 1053 Y 5.2594 9.7187 125.0000 56.2504 42.0522 174.4188 1054 R 4.9691 9.4768 121.3752 54.5096 33.7882 173.9626 1055 L 4.8560 8.3141 126.2613 53.3272 45.3159 174.3151 1056 D 4.8871 8.5423 126.6893 52.6597 41.6539 176.5201 1057 F 4.4033 9.3213 127.4159 56.8630 37.3156 176.5180 1058 I 3.5138 8.1352 119.6869 62.7874 37.7379 176.6342 1059 Q 4.5323 7.5978 120.9697 54.5271 31.9323 174.0519 1060 Q 4.2601 8.6831 122.0634 56.0965 31.1028 175.8622 1061 Q 4.3748 7.7829 115.1286 54.6146 31.0319 174.6423 1062 K 3.8076 8.2215 115.5568 57.9547 29.6800 174.9663 1063 L 4.9057 7.5866 115.9085 52.9289 44.5280 176.3656 1064 Q 4.6359 8.7862 122.6307 54.0845 32.2826 173.9533 1065 F 3.9887 9.3739 129.5066 59.0252 39.5219 172.8850 1066 D 4.5503 7.8543 126.0255 54.9363 42.0863 175.5310 1067 H 4.1732 6.2770 110.8049 54.3321 31.6346 171.9207 1068 W 4.5189 8.5999 118.8122 55.6793 30.7788 176.2871 1069 N 4.7779 8.6307 119.6311 51.6016 38.0965 171.9283 1070 V 4.4351 7.1336 119.1374 60.5959 33.7460 175.0653 1071 V 4.4548 8.6840 127.5317 61.0432 35.0584 173.7536 1072 L 5.3225 8.5551 126.9780 52.7341 43.8599 175.6072 1073 D 4.8683 8.8028 122.9808 53.0444 40.5039 175.7155 1074 K 4.4943 7.6556 117.4044 54.9713 34.9568 173.3997 1075 P 4.5314 0.0000 0.0000 62.0444 32.0345 176.7443 1076 G 4.0328 7.9968 108.7088 46.0790 0.0000 170.9249 1077 K 5.3166 7.7337 118.4621 55.2095 36.0832 176.1957 1078 V 4.9418 8.9845 118.2010 60.0441 36.5315 174.1570 1079 T 4.9784 8.6211 120.3477 61.8482 71.6780 173.1056 1080 I 4.6642 9.0857 127.8493 60.1707 39.3067 174.6378 1081 T 4.8848 9.0294 125.4207 61.6238 70.7356 175.1027 1082 G 4.4140 8.7074 113.8965 46.1040 0.0000 172.0744 1083 T 5.2212 7.8307 109.6281 59.0749 72.0851 173.9546 1084 S 4.2777 8.9635 118.1141 58.9257 63.2820 175.0237 1085 Q 4.4254 8.9864 123.6122 57.3657 28.5672 176.2312 1086 N 4.9275 7.9120 114.6354 52.5371 39.0567 174.1160 1087 W 4.6248 8.1533 129.5833 57.0546 31.3812 176.4315 1088 T 4.1076 8.2242 116.6326 58.7327 67.6653 172.6577 1089 P 3.2860 0.0000 0.0000 65.7127 31.3938 177.4391 1090 D 4.5273 7.6216 115.1778 55.1328 41.4573 176.9929 1091 L 4.4961 7.7929 117.8723 55.5364 43.0655 176.7260 1092 T 4.8028 7.8092 106.2351 59.5628 71.7972 173.4087 1093 N 4.7589 8.6713 120.5966 52.7288 39.7628 176.2330 1094 L 3.2579 8.2391 122.0932 55.2053 42.4838 176.8071 *1096 T 4.3005 8.4308 112.0993 63.8002 70.1275 176.1527 1097 R 4.0627 7.8244 115.5022 58.1268 29.9199 177.0211 1098 Q 4.2027 7.7897 116.9364 56.4471 29.2255 174.8016 1099 L 4.6671 7.3307 119.1928 53.9893 42.3201 176.8705 1100 L 4.2337 8.7338 124.8075 54.4740 42.5710 175.8031 1101 D 4.9240 8.4648 121.9653 51.8670 43.3621 173.9052 1102 P 4.5459 0.0000 0.0000 61.5273 33.3097 174.3922 1103 A 4.5599 8.0447 119.9410 50.6570 21.2164 176.1474 1104 A 4.5684 8.7221 121.3222 50.4688 21.2462 176.2422 1105 I 4.8539 8.8264 124.1308 59.5119 40.0940 174.9180 1106 F 5.2700 9.1759 125.3247 55.5258 42.5558 174.1921 1107 W 5.8100 8.5186 118.1822 55.3922 31.7911 173.9991 1108 R 4.6815 9.3315 121.1425 54.7123 32.2375 174.8972 1109 K 4.2979 9.0358 125.5793 55.9777 33.6966 176.4465 1110 E 3.4374 8.8552 116.9531 60.1231 30.4057 177.2547 1111 D 4.6348 7.9995 122.3267 54.8863 42.1231 176.8634 1112 S 4.7225 7.3459 113.8482 57.2618 64.5334 173.8982 1113 D 4.6792 8.4338 119.9093 54.8339 42.0071 177.3283 1114 A 4.2996 7.4817 120.6467 51.3787 20.6838 175.9859 *1116 D 4.0322 8.5741 113.0860 54.4707 42.9235 175.3853 1117 W 4.1363 6.7006 117.9208 54.0619 31.1961 175.6881 1118 N 4.7418 8.6094 118.5493 51.2491 34.5561 175.1569 1119 E 4.0741 8.0395 128.8130 60.5000 30.0570 178.5047 1120 A 4.0779 8.0206 119.7456 55.5304 18.4986 179.3190 1121 D 4.3908 8.1490 116.6744 57.3850 41.0337 178.6570 1122 A 4.0973 8.5951 121.8495 54.9595 18.2754 179.5794 1123 L 4.1010 8.3247 118.9431 58.2961 42.0766 178.4474 1124 E 3.9739 8.0827 117.9457 59.4386 29.8225 178.2978 1125 F 4.7672 8.6943 120.6690 61.5441 39.5465 177.1200 1126 G 2.0000 7.9857 105.2357 47.3899 0.0000 175.3444 1127 E 4.0745 7.8238 119.7432 59.2058 29.6996 179.4285 1128 R 4.1647 8.0553 118.0875 58.8255 30.0859 178.7253 1129 L 4.2011 7.8260 119.2093 57.8592 41.3539 179.3674 1130 S 3.9829 8.1853 111.8268 61.6326 62.5784 175.5900 1131 D 4.4417 8.0142 120.9737 57.2276 40.5723 178.5851 1132 L 3.9914 7.9954 119.3479 57.5812 41.6726 179.3933 1133 A 2.5800 7.6580 120.8882 54.4128 17.8245 179.8114 1134 K 3.9221 7.2539 115.8873 59.2400 32.0876 179.3437 1135 I 3.8838 7.1897 120.1162 63.1325 37.0509 176.3258 1136 R 4.4471 6.7263 111.6648 55.1608 32.3357 175.7783 1137 K 4.1779 8.4527 118.9769 58.6532 32.2914 176.5376 1138 V 5.0083 6.8001 116.7064 59.8328 34.7084 173.5238 *1140 Y 4.9411 7.9369 116.5762 58.1548 39.4611 174.6379 1141 F 5.5176 9.7817 119.8443 55.9660 44.3587 173.6730 1142 L 5.3484 9.4719 120.8063 53.3799 44.3040 175.6188 1143 I 4.6977 9.2084 126.0714 59.9006 39.4541 174.8918 1144 T 4.8367 8.6238 124.9253 62.2632 70.1105 173.7862 1145 F 4.8151 9.1669 126.7020 55.9746 40.2912 176.5795 1146 G 4.1141 9.2151 112.3086 45.0497 0.0000 172.6652 1147 E 4.2377 8.6003 118.0360 57.5880 29.9401 176.9761 1148 G 4.1141 9.1902 109.2713 45.0370 0.0000 173.8630 1149 V 4.7328 7.2566 111.3521 59.5798 34.5552 174.5037 1150 E 4.3315 9.3139 121.9781 53.2372 33.7033 174.8460 1151 P 4.1772 0.0000 0.0000 66.0848 30.9784 178.4984 1152 A 4.0300 7.8311 120.2523 54.6627 18.6280 177.7309 1153 N 5.0028 8.4413 112.0648 53.4747 39.1746 174.1461 1154 L 5.2623 7.7720 120.6949 53.2009 44.4312 176.1103 1155 K 4.5867 8.9517 123.8301 54.8234 35.6767 174.9242 1156 A 5.1662 8.3478 126.8343 50.1455 22.4327 174.6307 1157 S 4.7531 8.4042 114.0905 57.5081 67.2484 173.3154 1158 V 4.2592 8.0530 119.3410 60.8201 34.7683 173.9268 1159 V 4.6346 7.8798 126.9203 61.0404 33.7206 174.1774 1160 F 5.2542 9.0148 126.4643 55.6921 42.3992 174.2529 1161 N 5.0692 9.4676 120.8714 52.7788 40.1108 174.2745 1162 Q 4.6577 8.9753 123.3655 55.2305 29.7427 176.0826 1163 L 4.2999 8.6263 123.8354 54.9094 41.4320 176.8214 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 A 8.26 4.34 1.27 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 0.00 0.00 0.00 1003 E 8.47 4.54 0.00 2.01 1.84 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 2.20 2.30 0.00 1004 D 8.77 4.45 0.00 2.63 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 0.00 0.00 1005 G 8.19 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 1006 P 0.00 4.50 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 1007 Q 7.90 4.12 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 1008 K 7.29 4.05 0.00 1.87 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.41 7.81 1009 Q 8.59 4.30 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 1010 Q 8.61 5.13 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 1011 L 9.03 4.78 0.00 1.61 1.58 0.99 0.78 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 1012 E 8.93 5.49 0.00 1.89 1.81 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 2.12 2.00 0.00 *1014 P 0.00 4.22 0.00 2.24 2.05 0.00 3.77 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 1.86 1.98 0.00 1015 L 8.46 4.68 0.00 1.42 1.71 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 1016 V 8.93 4.40 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 0.91 0.00 0.00 0.95 0.00 0.00 1017 L 8.36 2.90 0.00 1.12 1.33 0.62 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 1018 D 8.70 4.72 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1019 Q 8.49 4.02 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 1020 D 8.03 4.52 0.00 2.87 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 1021 L 7.84 3.97 0.00 1.69 1.86 0.84 0.79 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 1022 T 7.87 4.08 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 1.27 0.00 0.00 1023 Q 8.54 4.17 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 1024 Q 8.07 4.06 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.17 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 *1026 R 7.87 4.24 0.00 2.10 2.02 0.00 3.38 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 1027 L 8.26 3.92 0.00 1.84 1.93 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 1028 R 7.98 3.88 0.00 2.01 1.96 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 1029 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 1.02 0.00 0.00 0.99 0.00 0.00 1030 E 8.19 3.89 0.00 2.15 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 2.31 2.36 0.00 1031 S 8.57 4.12 0.00 3.99 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 1032 L 7.96 4.03 0.00 1.89 1.73 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 1033 K 7.79 3.95 0.00 1.95 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.62 7.81 1034 Q 8.15 4.14 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 1035 R 8.06 4.43 0.00 1.79 2.01 0.00 3.47 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 1036 G 8.03 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 0.00 0.00 0.00 1037 E 7.83 4.29 0.00 2.02 1.89 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 2.33 2.41 0.00 1038 K 8.16 4.41 0.00 1.71 1.69 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 1039 K 8.26 4.25 0.00 2.04 1.80 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.46 7.81 1040 Q 8.76 4.04 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 1041 D 8.39 4.20 0.00 2.61 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 1042 G 8.81 3.93 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 0.00 0.00 0.00 1043 E 7.70 4.21 0.00 2.01 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 2.30 2.40 0.00 1044 K 8.77 4.45 0.00 1.67 1.67 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.35 7.81 1045 L 8.34 4.62 0.00 1.56 1.58 0.92 0.95 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 1046 I 8.30 3.99 1.92 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 1.48 0.81 0.95 0.00 0.00 1047 R 9.48 4.25 0.00 1.98 1.86 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 1048 P 0.00 4.20 0.00 2.20 2.23 0.00 3.78 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 2.02 2.00 0.00 1049 A 8.06 4.36 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1050 E 8.18 5.36 0.00 2.05 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 2.34 2.34 0.00 1051 S 9.28 4.94 0.00 4.33 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 1052 V 8.65 4.88 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 1.42 0.00 0.00 1.12 0.00 0.00 1053 Y 9.72 5.26 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1054 R 9.48 4.97 0.00 2.05 1.86 0.00 3.23 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.28 0.00 1055 L 8.31 4.86 0.00 1.88 1.58 0.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 1056 D 8.54 4.89 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1057 F 9.32 4.40 0.00 3.21 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 1058 I 8.14 3.51 1.88 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 1.31 0.53 0.91 0.00 0.00 1059 Q 7.60 4.53 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 1060 Q 8.68 4.26 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 1061 Q 7.78 4.37 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 1062 K 8.22 3.81 0.00 1.91 1.94 0.00 1.60 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 1063 L 7.59 4.91 0.00 1.37 1.20 0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 1064 Q 8.79 4.64 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 1065 F 9.37 3.99 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1066 D 7.85 4.55 0.00 2.59 2.44 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 1067 H 6.28 4.17 0.00 3.06 3.08 0.00 5.50 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1068 W 8.60 4.52 0.00 2.92 2.79 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 1069 N 8.63 4.78 0.00 2.48 2.56 0.00 0.00 6.91 7.28 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 1070 V 7.13 4.44 0.67 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 0.20 0.00 0.00 -0.10 0.00 0.00 1071 V 8.68 4.45 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 0.91 0.00 0.00 0.86 0.00 0.00 1072 L 8.56 5.32 0.00 1.59 1.75 1.02 1.21 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 1073 D 8.80 4.87 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1074 K 7.66 4.49 0.00 1.73 1.71 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.48 7.81 1075 P 0.00 4.53 0.00 2.13 2.09 0.00 3.88 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 2.13 0.00 1076 G 8.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1077 K 7.73 5.32 0.00 1.90 1.65 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.79 7.81 1078 V 8.98 4.94 1.69 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 0.49 0.00 0.00 0.94 0.00 0.00 1079 T 8.62 4.98 4.20 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 1.20 0.00 0.00 1080 I 9.09 4.66 1.76 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.91 0.86 0.00 0.00 1081 T 9.03 4.88 4.30 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 1.19 0.00 0.00 1082 G 8.71 4.41 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 0.00 1083 T 7.83 5.22 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1084 S 8.96 4.28 0.00 3.92 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 1085 Q 8.99 4.43 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 1086 N 7.91 4.93 0.00 2.71 2.86 0.00 0.00 6.86 8.92 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 1087 W 8.15 4.62 0.00 3.27 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1088 T 8.22 4.11 4.13 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 1.19 0.00 0.00 1089 P 0.00 3.29 0.00 1.42 1.18 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.44 0.00 1090 D 7.62 4.53 0.00 2.56 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 1091 L 7.79 4.50 0.00 1.60 1.70 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 1092 T 7.81 4.80 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 1.27 0.00 0.00 1093 N 8.67 4.76 0.00 2.79 2.94 0.00 0.00 6.89 7.85 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 1094 L 8.24 3.26 0.00 0.70 1.23 -0.30 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *1096 T 8.43 4.30 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 1.16 0.00 0.00 1097 R 7.82 4.06 0.00 1.89 2.03 0.00 3.01 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 1098 Q 7.79 4.20 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.11 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 1099 L 7.33 4.67 0.00 1.55 1.53 0.85 1.14 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 1100 L 8.73 4.23 0.00 1.22 1.43 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 1101 D 8.46 4.92 0.00 2.56 2.46 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 1102 P 0.00 4.55 0.00 2.20 2.01 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 1103 A 8.04 4.56 1.22 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 1104 A 8.72 4.57 0.77 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1131 D 8.01 4.44 0.00 2.86 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 1132 L 8.00 3.99 0.00 1.92 1.77 1.11 0.78 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 1133 A 7.66 2.58 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1134 K 7.25 3.92 0.00 1.78 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.48 7.81 1135 I 7.19 3.88 1.99 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 1.56 0.58 0.92 0.00 0.00 1136 R 6.73 4.45 0.00 2.07 1.97 0.00 2.83 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 1.46 1.70 0.00 1137 K 8.45 4.18 0.00 1.88 1.97 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.76 7.81 1138 V 6.80 5.01 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 0.70 0.00 0.00 0.93 0.00 0.00 *1140 Y 7.94 4.94 0.00 3.44 3.26 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 1141 F 9.78 5.52 0.00 3.15 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 1142 L 9.47 5.35 0.00 1.60 1.64 0.91 1.04 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 1143 I 9.21 4.70 1.71 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.59 0.12 0.00 0.00 1144 T 8.62 4.84 4.20 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 1.24 0.00 0.00 1145 F 9.17 4.82 0.00 2.95 3.26 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 1146 G 9.22 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 0.00 0.00 0.00 0.00 1147 E 8.60 4.24 0.00 2.11 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 2.30 2.28 0.00 1148 G 9.19 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 0.00 0.00 0.00 0.00 1149 V 7.26 4.73 2.30 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 0.88 0.00 0.00 1.20 0.00 0.00 1150 E 9.31 4.33 0.00 1.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 1151 P 0.00 4.18 0.00 2.18 2.43 0.00 3.14 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 1152 A 7.83 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1153 N 8.44 5.00 0.00 3.01 3.03 0.00 0.00 6.56 6.81 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 1154 L 7.77 5.26 0.00 1.84 1.92 0.84 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 1155 K 8.95 4.59 0.00 1.68 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 1156 A 8.35 5.17 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1157 S 8.40 4.75 0.00 3.81 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 1158 V 8.05 4.26 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 0.04 0.00 0.00 0.30 0.00 0.00 1159 V 7.88 4.63 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.63 0.00 0.00 1160 F 9.01 5.25 0.00 3.02 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 1161 N 9.47 5.07 0.00 2.73 2.73 0.00 0.00 6.90 7.15 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 1162 Q 8.98 4.66 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 1163 L 8.63 4.30 0.00 1.52 1.57 0.94 1.12 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 * Residues marked with a * may have inaccurate shift predictions.