NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1004 S 4.5117 8.3344 116.8003 58.5662 64.9290 174.1882 1005 R 4.4434 7.6056 115.2242 54.2617 33.3630 174.1934 1006 R 4.0472 8.8125 117.8245 58.6678 31.3065 177.5368 1007 L 3.8948 7.9523 118.5453 58.1791 41.7429 179.0474 1008 M 3.9908 8.1607 117.9440 58.0971 31.8153 178.5621 1009 K 4.0505 7.6119 119.4515 59.1568 32.4586 178.5690 1010 E 4.3866 8.4351 120.6917 59.2224 29.3609 178.5232 1011 L 3.8278 9.0525 120.8101 58.2381 42.1255 178.6647 1012 E 3.9713 8.3422 118.8946 59.2034 29.2075 179.6248 1013 E 3.9911 8.0794 119.1245 59.3433 29.3775 179.3052 1014 I 3.8481 7.4275 111.1772 64.0438 38.0235 177.7107 1015 R 4.0686 7.7934 119.0878 59.0273 30.0353 178.6137 1016 K 4.2345 7.7776 116.2325 58.9973 32.9361 178.3994 1017 C 4.3606 7.6205 124.4268 58.8222 30.1083 174.0342 1018 G 4.0142 8.1134 118.5620 44.5962 0.0000 171.0987 1019 M 4.1615 7.7014 116.9844 55.6674 32.3993 177.3272 1020 K 4.3621 8.3752 119.8951 56.3969 34.1200 177.0353 1021 N 5.0413 8.9545 115.9287 54.1303 37.1405 173.7988 1022 F 5.1307 8.2847 118.2187 56.4192 40.8134 173.5523 1023 R 4.3419 8.3339 126.5635 53.7804 33.3193 174.5266 1024 N 3.6468 8.2641 112.9715 54.5867 36.6432 171.9097 1025 I 4.4619 7.8410 123.7324 58.9402 40.1075 174.7202 1026 Q 4.6391 10.7000 126.5384 53.1209 31.9386 174.4615 1027 V 5.0223 7.8308 129.4302 61.2206 32.5398 170.2931 1028 D 4.5062 8.0847 125.8816 52.9880 40.0110 177.1599 1029 E 4.4163 8.8561 120.4494 57.0289 28.7912 177.0531 1030 A 4.6719 8.2044 120.0993 52.0726 19.8352 177.0200 1031 N 4.7386 7.5274 113.7579 55.2612 41.0070 177.0866 1032 L 4.0151 8.1750 113.4561 55.7961 41.0209 175.7031 1033 L 4.2741 8.2179 118.5127 56.7781 42.8800 176.9110 1034 T 5.1874 8.1278 115.0972 61.4983 70.8196 173.8490 1035 W 5.1750 9.6309 126.9066 55.0818 31.7203 174.6794 1036 Q 5.1933 9.2571 124.1614 54.2889 30.9555 175.0803 1037 G 4.2611 8.8675 108.9923 44.6367 0.0000 171.1048 1038 L 5.4514 7.8363 119.2821 52.6144 44.7603 176.0721 1039 I 5.7391 8.6588 116.8662 58.7142 40.3548 175.7718 1040 V 4.4095 8.1388 122.8031 60.4291 33.6641 173.7484 1041 P 5.0116 0.0000 0.0000 62.0772 30.9651 174.4665 1042 D 4.3331 8.8250 129.5072 55.0848 46.4887 174.3220 1043 N 4.2501 8.7404 115.9681 55.7237 38.9324 179.0457 1044 P 4.6531 0.0000 0.0000 61.7657 31.4692 173.2116 1045 P 3.8497 0.0000 0.0000 63.7973 30.9760 177.1752 1046 Y 3.9237 5.8972 110.2934 56.8782 37.2299 173.7997 1047 D 4.4623 8.5858 122.8760 55.1165 46.3594 177.1093 1048 K 3.5255 9.8027 123.5677 59.9805 33.2058 173.1262 1049 G 3.7871 9.2445 115.4188 46.2212 0.0000 175.7790 1050 A 4.6224 8.1563 119.2137 50.2826 19.2172 177.6564 1051 F 5.1486 7.7635 124.8613 55.6170 38.3025 174.9345 1052 R 4.9208 7.9383 121.4036 55.4496 32.3176 175.3462 1053 I 5.2050 8.8101 126.1256 59.6906 42.0276 174.6004 1054 E 5.0423 8.4514 121.2099 55.9511 32.3998 174.3128 1055 I 4.2214 9.1423 127.0627 60.3394 39.1655 174.9919 1056 N 5.1656 8.4846 124.0667 51.3368 41.1640 173.4737 1057 F 4.4480 8.5793 124.1618 55.4750 39.7770 174.7820 1058 P 4.3587 0.0000 0.0000 62.1728 31.9737 176.8687 1059 A 4.0652 8.7603 122.9850 55.4709 18.3733 178.0719 1060 E 4.6350 8.0211 112.5796 56.7574 30.4451 175.6572 1061 Y 4.6999 7.7680 120.2476 58.3110 39.4549 172.9643 1062 P 4.0163 0.0000 0.0000 62.6135 31.6245 177.0883 1063 F 4.8038 7.9501 118.2909 59.1456 39.3558 176.1421 1064 K 4.6780 7.8336 119.6031 53.4772 35.5490 174.3789 1065 P 2.9700 0.0000 0.0000 61.2691 31.7236 173.9371 1066 P 4.3275 0.0000 0.0000 61.9302 32.8163 175.2416 1067 K 4.2519 8.3684 120.6531 55.2053 34.6298 175.0061 1068 I 4.3956 8.0381 126.6261 59.9016 38.1812 175.3238 1069 T 4.6243 8.1171 116.7789 59.6202 72.0875 173.2220 1070 F 4.5989 8.7105 124.3426 57.4147 39.1277 175.5720 1071 K 4.3390 8.8612 123.6643 56.9369 32.7379 176.5518 1072 T 4.2949 7.2993 113.8063 62.3214 69.1774 173.1115 1073 K 4.1559 6.9917 123.5414 53.5912 34.0511 173.7582 1074 I 3.6585 7.0011 119.5771 61.4328 41.8501 172.7650 1075 Y 4.4857 9.3045 125.5445 57.4031 37.0448 174.8546 1076 H 3.9897 6.5514 114.5248 55.5384 30.7928 170.9031 1077 P 4.2389 0.0000 0.0000 66.2730 31.6340 177.2066 1078 N 4.5404 7.8945 115.9550 56.5778 39.5813 175.9784 1079 I 3.9108 7.9321 117.8777 61.7508 37.3738 175.4039 1080 D 4.8605 8.6948 124.5284 53.2446 42.3109 177.1692 1081 E 3.9833 8.5151 118.6337 58.3926 29.9258 178.6344 1082 K 4.1005 7.9582 117.4463 58.1028 32.6980 176.5935 1083 G 3.6893 7.8270 110.5820 45.7830 0.0000 174.3491 1084 Q 4.2444 8.1474 118.9808 56.3544 29.2274 175.9414 1085 V 4.6938 7.6214 118.4283 62.0426 34.9331 175.6550 1086 C 4.6437 8.0872 118.2280 58.3412 32.3550 172.0070 1087 L 4.8265 7.6374 124.4848 52.4233 43.1805 176.4837 1088 P 4.2369 0.0000 0.0000 65.8716 31.4277 179.1350 1089 V 3.8599 7.8734 115.7166 64.2323 30.9384 176.6172 1090 I 4.5774 7.2738 119.5813 60.8518 37.8239 175.0159 1091 S 4.5982 8.3718 116.7993 56.1038 65.4798 174.1424 1092 A 4.2818 8.3824 127.2986 53.4367 18.5289 178.6221 1093 E 4.0756 8.9670 116.4859 57.0142 28.3137 175.3033 1094 N 4.9231 8.1319 113.5529 52.7818 40.8867 174.3739 1095 W 4.4579 8.2584 128.5364 56.8857 31.2674 175.0890 1096 K 4.0947 7.4710 123.7830 53.7744 34.1612 175.1759 1097 P 3.8903 0.0000 0.0000 63.7602 31.3174 177.2978 1098 A 3.9041 7.3734 122.0416 54.9530 18.5810 178.3465 1099 T 3.7859 6.7531 104.9932 62.2182 69.2493 173.7179 1100 K 4.6324 8.5719 124.8977 55.7041 33.4348 177.6140 1101 T 3.9743 9.5855 115.4477 65.7056 68.1718 175.6943 1102 D 4.3618 8.2475 119.5134 57.5955 41.1906 178.1276 1103 Q 4.2417 7.9966 118.2058 57.7931 29.3613 177.9007 1104 V 3.9012 8.3198 113.7250 64.1551 32.8007 176.9158 1105 I 4.0381 7.0040 118.1419 59.5043 36.1660 174.8865 1106 Q 4.4728 7.3733 121.8301 56.6377 34.4557 174.3652 1107 S 4.5925 8.4161 111.1171 58.0241 62.6384 173.7244 1108 L 4.4484 7.5796 120.3008 56.1148 43.1588 178.1538 1109 I 3.7626 7.2810 118.3746 64.4724 37.2431 177.3542 1110 A 4.5745 7.9691 119.3671 52.5673 18.0657 176.6978 1111 L 4.4675 7.5586 118.1491 57.6903 43.8425 178.1010 1112 V 3.5727 7.5172 116.5536 65.7139 31.6049 175.9555 1113 N 4.6757 8.5205 118.2242 53.8066 39.6604 174.9917 1114 D 4.4855 8.9124 122.8701 55.0112 38.3595 170.8735 1115 P 4.5926 0.0000 0.0000 63.2733 33.1306 176.4303 1116 Q 5.4792 8.0550 124.3296 56.4314 29.1933 170.9959 1117 P 4.3756 0.0000 0.0000 63.8918 32.5103 176.6484 1118 E 4.1815 8.5442 118.5311 57.4181 30.4887 176.9516 *1119 H 4.6246 7.5388 115.4004 52.4363 31.6404 175.5360 1120 P 4.9745 0.0000 0.0000 60.9697 30.7164 176.8602 1121 L 4.6254 7.9659 114.6396 54.3048 42.7198 177.3697 1122 R 4.2726 7.4936 112.3006 55.4000 31.8534 174.2430 1123 A 4.0517 8.3437 132.5854 55.4319 19.1556 177.8471 1124 D 4.7403 7.8185 115.9109 51.8712 39.6622 179.7361 1125 L 4.5861 7.3581 130.7967 55.1157 46.8392 175.7800 1126 A 4.0797 7.9062 123.0541 55.9126 17.2152 180.0679 1127 E 4.0596 8.1824 116.3731 60.6910 29.4361 180.5127 1128 E 4.3707 7.8531 117.0285 59.6663 29.8206 178.0204 1129 Y 3.3198 7.6436 119.7838 60.1107 38.5875 177.4221 1130 S 4.5287 7.4052 111.6388 60.0618 63.6799 174.5903 1131 K 4.3212 6.5260 114.1382 55.8965 32.3137 172.7840 1132 D 5.5274 7.2864 135.0000 55.5932 41.6531 176.7443 1133 R 3.9448 7.5647 126.5910 58.0002 31.1446 178.2674 1134 K 4.2261 7.6056 120.0373 56.6623 31.9935 183.4702 1135 K 4.1219 8.5173 120.9158 59.1470 32.6959 178.8074 1136 F 4.5338 7.1581 121.0280 60.4322 39.1468 176.8191 1137 C 4.2885 8.3969 117.6282 62.5661 27.9123 176.9747 1138 K 4.0582 8.0629 128.2209 59.9624 31.3707 185.0000 1139 N 5.0626 7.8189 114.2647 52.2305 35.7864 177.8755 1140 A 4.8042 8.4079 123.2617 52.1403 20.8559 178.1292 1141 E 4.4874 7.7195 115.9010 57.0342 30.5726 177.1035 1142 E 4.5150 7.8503 116.7612 60.1607 31.1810 183.0716 1143 F 4.7692 8.1584 121.4657 61.5412 39.2269 177.1910 1144 T 3.8635 8.0002 107.9970 64.1783 68.6153 175.7274 1145 K 4.1616 7.8201 121.5195 58.3719 32.6906 177.6594 1146 K 4.2981 8.3192 116.4485 57.0914 32.8453 176.4976 1147 Y 4.2197 7.5036 122.4314 59.2472 39.9209 173.4302 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 1004 S 8.33 4.51 0.00 3.90 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 1005 R 7.61 4.44 0.00 1.92 1.83 0.00 3.23 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 1006 R 8.81 4.05 0.00 1.90 1.94 0.00 3.29 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.74 0.00 1007 L 7.95 3.89 0.00 1.73 1.68 0.87 -0.12 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 1008 M 8.16 3.99 0.00 2.05 2.16 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 2.72 2.59 0.00 1009 K 7.61 4.05 0.00 2.03 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 1010 E 8.44 4.39 0.00 2.37 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 0.00 2.67 2.48 0.00 1011 L 9.05 3.83 0.00 1.96 1.57 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 1012 E 8.34 3.97 0.00 1.99 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 2.58 2.52 0.00 1013 E 8.08 3.99 0.00 2.36 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 2.34 2.66 0.00 1014 I 7.43 3.85 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.81 1.02 0.00 0.00 1015 R 7.79 4.07 0.00 1.77 2.03 0.00 3.27 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 1.59 1.56 0.00 1016 K 7.78 4.23 0.00 1.81 1.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.61 7.81 1017 C 7.62 4.36 0.00 2.93 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 1018 G 8.11 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 1019 M 7.70 4.16 0.00 2.20 2.17 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 2.77 2.75 0.00 1020 K 8.38 4.36 0.00 1.89 1.84 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.49 7.81 1021 N 8.95 5.04 0.00 3.06 3.13 0.00 0.00 7.00 8.13 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 1022 F 8.28 5.13 0.00 2.91 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 1023 R 8.33 4.34 0.00 1.77 1.70 0.00 3.44 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 1024 N 8.26 3.65 0.00 2.72 2.62 0.00 0.00 6.35 7.82 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 1025 I 7.84 4.46 1.80 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.79 0.00 0.00 1026 Q 10.70 4.64 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 1027 V 7.83 5.02 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 0.32 0.00 0.00 1.11 0.00 0.00 1028 D 8.08 4.51 0.00 2.85 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 1029 E 8.86 4.42 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 1030 A 8.20 4.67 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 1031 N 7.53 4.74 0.00 2.78 2.90 0.00 0.00 7.16 6.66 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 1032 L 8.18 4.02 0.00 1.88 1.90 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 1033 L 8.22 4.27 0.00 1.87 1.76 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 1034 T 8.13 5.19 4.34 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 1.33 0.00 0.00 1035 W 9.63 5.17 0.00 3.27 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 1036 Q 9.26 5.19 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 1037 G 8.87 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 0.00 0.00 0.00 1038 L 7.84 5.45 0.00 1.65 1.52 0.88 0.66 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 1039 I 8.66 5.74 2.00 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 1.41 1.09 1.26 0.00 0.00 1040 V 8.14 4.41 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 1.08 0.00 0.00 1.00 0.00 0.00 1041 P 0.00 5.01 0.00 2.33 2.17 0.00 4.12 0.00 0.00 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.07 0.00 1042 D 8.83 4.33 0.00 2.63 2.26 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 1043 N 8.74 4.25 0.00 2.73 2.69 0.00 0.00 6.61 7.75 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 1044 P 0.00 4.65 0.00 2.32 2.32 0.00 3.87 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 1045 P 0.00 3.85 0.00 2.11 1.90 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.62 0.00 1046 Y 5.90 3.92 0.00 3.24 3.54 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 1047 D 8.59 4.46 0.00 2.56 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1048 K 9.80 3.53 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.34 7.81 1049 G 9.24 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 1050 A 8.16 4.62 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 1051 F 7.76 5.15 0.00 3.09 2.90 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 1052 R 7.94 4.92 0.00 1.96 1.88 0.00 3.16 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 1053 I 8.81 5.20 2.01 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 1.44 1.14 0.68 0.00 0.00 1054 E 8.45 5.04 0.00 1.97 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 2.42 2.25 0.00 1055 I 9.14 4.22 1.63 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 0.18 0.00 0.00 1056 N 8.48 5.17 0.00 2.48 2.59 0.00 0.00 6.74 8.14 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 1057 F 8.58 4.45 0.00 2.58 2.57 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 0.00 0.00 0.00 1058 P 0.00 4.36 0.00 2.22 2.12 0.00 3.57 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 2.11 2.07 0.00 1059 A 8.76 4.07 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 1060 E 8.02 4.64 0.00 2.32 2.29 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 2.41 2.31 0.00 1061 Y 7.77 4.70 0.00 3.09 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 1062 P 0.00 4.02 0.00 1.89 1.00 0.00 2.61 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.30 0.00 1063 F 7.95 4.80 0.00 3.28 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 1064 K 7.83 4.68 0.00 1.72 1.59 0.00 1.96 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.50 7.81 1065 P 0.00 2.97 0.00 1.51 0.49 0.00 3.43 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 1066 P 0.00 4.33 0.00 0.81 0.85 0.00 2.86 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 1067 K 8.37 4.25 0.00 1.59 1.75 0.00 1.18 0.00 0.00 1.53 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.18 7.81 1068 I 8.04 4.40 1.60 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.27 0.53 0.00 0.00 1069 T 8.12 4.62 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 1.11 0.00 0.00 1070 F 8.71 4.60 0.00 2.98 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 1071 K 8.86 4.34 0.00 2.03 1.88 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.42 7.81 1072 T 7.30 4.29 4.50 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 1.28 0.00 0.00 1073 K 6.99 4.16 0.00 1.58 1.70 0.00 1.52 0.00 0.00 1.08 0.00 0.00 2.66 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.33 7.81 1074 I 7.00 3.66 1.32 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.45 0.36 0.00 0.00 1075 Y 9.30 4.49 0.00 3.04 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 1076 H 6.55 3.99 0.00 3.23 3.29 0.00 6.02 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 1077 P 0.00 4.24 0.00 1.86 1.87 0.00 2.97 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.22 0.00 1078 N 7.89 4.54 0.00 2.74 2.91 0.00 0.00 6.96 7.82 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 1079 I 7.93 3.91 2.00 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 1.58 0.85 1.10 0.00 0.00 1080 D 8.69 4.86 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1081 E 8.52 3.98 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 2.37 2.40 0.00 1082 K 7.96 4.10 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 1083 G 7.83 3.69 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 0.00 0.00 0.00 1084 Q 8.15 4.24 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 1085 V 7.62 4.69 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 0.75 0.00 0.00 0.77 0.00 0.00 1086 C 8.09 4.64 0.00 2.91 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 1087 L 7.64 4.83 0.00 1.81 1.70 0.92 0.57 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 1088 P 0.00 4.24 0.00 2.21 2.15 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 1089 V 7.87 3.86 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 0.74 0.00 0.00 1.01 0.00 0.00 1090 I 7.27 4.58 1.76 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 1.31 0.67 0.60 0.00 0.00 1091 S 8.37 4.60 0.00 3.92 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 1092 A 8.38 4.28 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 1093 E 8.97 4.08 0.00 2.18 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 2.22 2.31 0.00 1094 N 8.13 4.92 0.00 2.66 3.11 0.00 0.00 7.11 7.27 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 1095 W 8.26 4.46 0.00 3.37 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 1096 K 7.47 4.09 0.00 1.62 1.62 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 0.93 7.81 1097 P 0.00 3.89 0.00 1.90 2.27 0.00 3.02 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 1.78 1.94 0.00 1098 A 7.37 3.90 1.13 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 0.00 0.00 1099 T 6.75 3.79 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 1.08 0.00 0.00 1100 K 8.57 4.63 0.00 1.89 1.93 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.43 7.81 1101 T 9.59 3.97 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 1.41 0.00 0.00 1102 D 8.25 4.36 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1103 Q 8.00 4.24 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 1104 V 8.32 3.90 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 0.89 0.00 0.00 0.89 0.00 0.00 1105 I 7.00 4.04 1.54 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.28 0.31 0.00 0.00 1106 Q 7.37 4.47 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 1107 S 8.42 4.59 0.00 3.96 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 1108 L 7.58 4.45 0.00 1.79 1.54 0.79 0.82 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 1109 I 7.28 3.76 2.07 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 1.26 0.54 0.94 0.00 0.00 1110 A 7.97 4.57 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 1111 L 7.56 4.47 0.00 1.53 1.79 0.93 0.93 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 1112 V 7.52 3.57 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 0.53 0.00 0.00 0.73 0.00 0.00 1113 N 8.52 4.68 0.00 3.10 2.79 0.00 0.00 7.24 8.85 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 1114 D 8.91 4.49 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 1115 P 0.00 4.59 0.00 2.11 2.35 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 1116 Q 8.05 5.48 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.97 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 1117 P 0.00 4.38 0.00 1.94 2.04 0.00 3.40 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.13 0.00 1118 E 8.54 4.18 0.00 2.04 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 2.19 2.27 0.00 *1119 H 7.54 4.62 0.00 2.93 2.87 0.00 7.21 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1120 P 0.00 4.97 0.00 2.22 2.25 0.00 3.27 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 1121 L 7.97 4.63 0.00 1.64 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 1122 R 7.49 4.27 0.00 1.86 1.80 0.00 3.36 0.00 0.00 3.48 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 1123 A 8.34 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1124 D 7.82 4.74 0.00 2.71 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 1125 L 7.36 4.59 0.00 1.72 1.88 1.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 1126 A 7.91 4.08 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 1127 E 8.18 4.06 0.00 2.01 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 2.25 2.20 0.00 1128 E 7.85 4.37 0.00 2.28 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 0.00 2.43 2.52 0.00 1129 Y 7.64 3.32 0.00 2.32 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 1130 S 7.41 4.53 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1131 K 6.53 4.32 0.00 1.89 1.81 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.26 7.81 1132 D 7.29 5.53 0.00 2.85 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 1133 R 7.56 3.94 0.00 1.88 1.87 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 1134 K 7.61 4.23 0.00 1.72 1.60 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.03 7.81 1135 K 8.52 4.12 0.00 2.01 1.94 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.40 7.81 1136 F 7.16 4.53 0.00 3.14 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 1137 C 8.40 4.29 0.00 3.15 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 1138 K 8.06 4.06 0.00 1.80 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.32 7.81 1139 N 7.82 5.06 0.00 2.78 2.72 0.00 0.00 6.90 7.02 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 1140 A 8.41 4.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1141 E 7.72 4.49 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 1142 E 7.85 4.52 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.89 0.00 1143 F 8.16 4.77 0.00 2.95 2.95 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 1144 T 8.00 3.86 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 1145 K 7.82 4.16 0.00 1.76 2.02 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.45 7.81 1146 K 8.32 4.30 0.00 1.93 1.92 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.77 1.80 7.81 1147 Y 7.50 4.22 0.00 3.29 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.