NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1005 S 4.3282 8.1933 115.2853 58.3377 63.5783 175.1151 1006 L 2.9963 8.4494 121.5738 54.7715 40.7094 173.4412 1007 R 4.4876 8.6966 120.6066 54.8666 31.6551 175.5941 1008 T 4.1668 8.6614 120.8750 64.6817 67.7793 173.8167 1009 K 3.8816 7.6057 117.3960 55.8990 35.2200 176.2509 1010 G 4.1275 7.7331 109.9067 46.1214 0.0000 173.9689 1011 N 5.1054 8.6146 118.8473 52.4990 40.1560 174.9815 1012 A 4.3756 9.8836 127.8023 51.3892 19.8569 176.1268 1013 E 4.3638 8.7275 122.2751 54.9408 31.2478 174.8620 1014 L 4.8381 8.5571 127.6404 53.5866 43.3389 176.5958 1015 I 4.3640 9.1342 127.1563 59.3105 37.3802 176.0357 1016 L 4.5124 8.2470 124.9272 53.4754 43.5273 177.1597 1017 Q 3.3666 7.9712 115.6359 56.5797 26.4530 173.3232 1018 I 4.0600 6.9829 115.9674 60.2310 38.2217 175.6269 1019 D 4.6723 8.5855 124.7285 53.5548 40.9934 175.8368 1020 A 5.1779 8.2795 125.9443 50.7545 22.1269 174.4295 1021 Y 4.6855 8.1450 119.2381 57.1720 40.7899 172.7657 1022 L 4.3112 9.0033 120.2367 52.4633 42.4666 175.4302 1023 P 4.5491 0.0000 0.0000 61.8382 32.1398 177.5752 1024 D 4.8340 8.8588 123.3124 57.4049 40.7043 179.3295 1025 T 4.0198 7.9505 114.8285 66.0424 68.4766 175.2226 1026 Y 4.6967 7.8948 120.5956 58.0486 39.5119 175.5138 1027 I 4.1975 7.0624 121.4119 59.3990 39.8143 176.0024 1028 S 4.1002 8.7327 120.5147 60.8462 63.9499 175.0672 1029 D 4.3912 7.8454 121.4270 53.6113 42.2256 175.5831 1030 Q 3.9857 8.5757 128.7320 59.7389 29.0556 179.0113 1031 R 4.0260 8.1751 116.3720 60.0169 29.3237 177.5065 1032 H 4.1301 8.5937 116.7901 58.3329 28.5566 177.4050 1033 K 3.8313 8.2305 118.8059 59.7491 32.0499 178.6297 1034 I 4.0788 8.0570 119.6853 64.8078 37.1303 177.7659 1035 E 3.9405 8.3503 119.6047 59.6798 29.4472 179.0009 1036 I 3.5553 8.4297 119.9931 64.3724 37.0813 178.0040 1037 Y 4.2643 8.7458 118.7967 61.0677 37.8978 178.3842 1038 K 3.8954 8.5150 120.5590 59.8178 32.0808 178.6111 1039 K 3.9674 8.5912 117.9878 59.8380 32.3414 178.8135 1040 I 3.9247 8.0918 119.9856 64.4908 36.9671 178.5909 1041 R 4.1395 7.9976 116.6430 58.2784 29.9418 178.0287 1042 Q 4.5548 7.6030 116.2875 55.4618 29.2161 175.6984 1043 I 3.8111 7.5519 121.3112 61.6862 36.4832 174.9777 1044 D 4.4878 8.9623 126.5869 55.7075 41.4882 175.4054 1045 N 4.6491 7.5808 114.0128 51.5775 40.1841 174.2146 1046 R 3.7528 8.6866 117.0694 60.0758 30.4604 179.2240 1047 V 3.7502 8.1544 111.2252 65.3697 31.4366 177.2314 1048 N 4.3839 8.6516 114.6496 56.1871 38.1010 177.9529 1049 Y 3.9041 7.2666 118.9626 59.8975 40.8512 177.9471 1050 E 4.0010 9.1828 119.6231 59.8001 29.8299 179.5911 1051 E 3.9622 8.6779 118.7168 59.2305 29.3561 179.2309 1052 L 4.0002 8.3128 120.9859 58.0298 42.0263 178.9792 1053 Q 3.9058 8.1378 118.1083 59.0511 28.6896 178.2602 1054 E 3.9305 8.2891 119.6357 59.7312 29.4917 179.4857 1055 E 3.9225 8.5393 119.1820 59.2767 29.8103 178.8499 1056 L 4.3467 8.2510 119.2180 58.0374 41.7105 179.5515 1057 I 4.5509 8.1552 121.2277 63.9837 36.8444 177.6369 1058 D 4.4300 7.9979 117.9534 56.7752 41.0249 177.4971 1059 R 4.3449 7.8183 111.3774 55.6787 29.6942 175.9804 1060 F 4.5460 8.5725 113.7420 56.5519 42.0899 175.9065 1061 G 3.9607 8.4336 111.5233 44.2688 0.0000 172.7452 1062 E 4.0652 8.7191 117.8389 56.8379 29.8499 176.2394 1063 Y 3.8942 7.0671 120.3191 54.0432 40.4025 173.6726 1064 P 4.4355 0.0000 0.0000 61.9052 32.8730 176.8437 1065 D 3.9806 8.4691 118.2678 57.6280 40.5121 179.5775 1066 V 4.0188 7.5815 112.1960 64.2076 31.4514 178.7058 1067 V 3.3612 7.6580 118.0069 65.5719 31.2973 177.5865 1068 A 3.9618 7.9445 120.1118 55.7966 18.0474 179.1398 1069 Y 4.3943 8.0494 115.2788 61.0407 37.9564 178.2339 1070 L 4.0481 7.9173 121.3606 58.2850 42.0851 179.0519 1071 L 4.0059 8.0091 118.6383 57.8167 41.5252 179.0285 1072 E 4.1102 8.5902 119.4129 59.6069 29.6314 178.6950 1073 I 3.8199 8.3512 120.2952 64.4133 37.1644 178.4049 1074 G 3.7269 8.0283 106.2361 48.2287 0.0000 174.8537 1075 L 3.8271 8.1747 122.1111 57.7220 42.2734 179.1473 1076 V 3.7034 8.2860 117.6798 65.9162 31.8049 177.8254 1077 K 3.8589 8.8600 119.8314 59.8395 31.8049 178.4291 1078 S 4.0721 7.7352 112.7764 62.0846 62.7573 176.1313 1079 Y 4.1230 8.0392 119.7854 60.8830 37.6966 178.1115 1080 L 4.1975 8.2552 119.3102 58.1646 41.6520 179.5002 1081 D 4.2818 8.6533 119.1192 57.3774 40.5980 178.9677 1082 K 3.9218 7.7405 117.3919 58.4534 32.0038 178.8087 1083 V 4.4697 7.5649 110.1997 60.0988 32.5112 175.4364 1084 F 3.9021 7.7312 116.4223 58.4198 36.2553 175.2311 1085 V 4.1210 8.3605 119.9589 63.6191 31.8542 175.3925 1086 Q 4.5670 9.0783 127.6352 57.2971 31.6503 175.2765 1087 R 4.8776 7.4567 116.4585 55.2648 33.8517 173.4692 1088 V 4.5763 8.7383 126.9756 61.0429 34.1202 173.8926 1089 E 4.9342 8.5147 127.3697 54.5962 32.8872 173.7203 1090 R 4.7709 9.1295 128.5327 55.0255 31.5204 176.0054 1091 K 4.1358 8.9899 128.0013 56.0788 34.2216 174.4994 1092 D 4.3661 9.1276 128.3018 56.1203 37.5840 173.4131 1093 N 4.1175 7.9526 111.4426 53.7104 37.0055 174.1613 1094 K 4.8255 7.5308 118.9115 54.8523 34.9074 174.6256 1095 I 4.5989 8.4939 129.2830 60.5129 38.5473 175.1288 1096 T 4.9496 8.6046 121.1488 60.4127 70.3213 172.4952 1097 I 4.5233 8.6916 131.3184 60.5088 38.7952 175.2591 1098 Q 4.6327 8.9694 124.2587 54.4335 32.0851 174.6322 1099 F 5.2474 8.6736 119.5186 56.0239 42.1413 174.6945 1100 E 4.5632 8.9661 118.8217 55.6883 30.4978 178.6337 1101 K 3.9651 8.8965 121.2058 59.6158 31.9304 179.7047 1102 V 3.5209 7.8193 118.5872 65.9845 31.4150 177.6829 1103 T 3.4655 8.1682 109.6487 64.9365 68.0763 176.0203 1104 Q 4.2903 7.6935 119.7277 58.4824 28.6882 178.6105 1105 R 4.0569 8.2713 119.3550 58.6560 30.3401 178.1741 1106 L 3.9489 7.2508 117.0123 55.1233 42.2231 176.8894 1107 F 5.3146 7.6827 115.4951 55.5046 42.5368 173.9849 1108 L 4.6992 8.4999 122.0085 52.2925 45.0452 177.6548 1109 A 4.1452 8.7236 121.4376 55.8645 18.0188 180.0107 1110 Q 4.1532 8.0306 114.7779 58.7855 28.6853 177.9936 1111 D 4.2590 7.6877 121.2362 57.6193 40.7811 178.2197 1112 Y 4.3347 7.3625 116.3417 61.1864 37.9974 178.1755 1113 F 4.0986 8.2785 121.1375 61.2448 39.2221 176.6322 1114 K 3.7855 8.3328 118.0166 59.7810 31.6790 178.0139 1115 A 4.4462 7.6973 121.5295 54.6697 18.2417 179.5442 1116 L 4.1112 8.3293 117.6314 58.1319 41.5543 179.7343 1117 S 3.9761 7.9883 113.8598 60.2014 62.9360 175.3309 1118 V 4.3004 7.2361 118.1285 61.0987 32.1341 175.4125 1119 T 4.5268 7.9164 111.3985 60.4548 70.5736 174.3394 1120 N 4.6055 8.4457 117.8213 54.4453 39.1583 176.2454 1121 L 4.2403 7.5493 118.3961 54.3481 42.6181 176.2105 1122 K 4.5656 8.4988 121.0025 55.8060 34.6078 175.2747 1123 A 5.0031 8.2598 124.1762 50.6041 22.9626 174.4194 1124 G 4.1793 8.2965 104.0093 45.5151 0.0000 172.1926 1125 I 5.1913 8.3412 120.5099 59.2816 39.6295 175.1314 1126 A 4.7538 8.8874 127.1142 50.1402 22.5530 175.1306 1127 E 4.6374 8.7988 121.0025 54.7740 30.7569 175.0920 1128 N 4.7158 8.6525 126.7911 52.3311 40.6649 174.3927 1129 K 3.7189 9.2782 127.6666 57.5662 29.0860 178.1117 1130 G 4.2246 8.1622 106.1519 46.0593 0.0000 173.8775 1131 L 4.6790 7.1423 119.7929 54.5737 40.3011 178.2711 *1133 E 4.5588 8.5857 126.7817 57.2293 31.0291 173.1543 1134 L 4.9473 8.2864 123.0563 53.2272 44.2681 175.9256 1135 V 4.7963 8.3206 122.5196 59.9892 34.3689 174.2968 1136 F 5.0420 9.6811 124.7389 55.7041 41.1509 174.4710 1137 D 4.9243 8.4779 123.4244 53.4848 41.7754 176.4694 1138 V 4.4245 8.6064 119.4682 60.9720 32.5114 175.6300 1139 Q 3.9644 7.8427 118.7056 57.5378 28.8734 176.8308 1140 N 4.2445 8.7213 116.6443 53.6146 36.4119 173.9850 1141 K 4.5512 7.4386 118.7402 54.5164 33.4927 176.8269 1142 K 4.1141 9.3252 124.4639 55.8801 33.0503 177.6220 1143 D 4.2291 8.8494 122.7311 58.0253 40.6524 179.2561 1144 Y 4.4112 7.9753 117.1110 60.2594 37.8407 178.2046 1145 E 3.8541 7.2383 120.3995 59.0439 29.3586 179.3221 1146 I 3.6090 7.2845 119.5111 64.1975 37.3329 178.1828 1147 L 3.9227 8.2346 120.3181 57.6649 41.3993 179.2688 1148 E 4.0428 8.4064 119.4974 59.0907 29.5384 179.0614 1149 G 3.5309 8.0810 105.6726 47.8056 0.0000 175.4303 1150 L 3.9560 7.9162 122.5292 57.4269 41.6836 178.9812 1151 L 3.8188 8.2276 120.1706 58.5650 41.9181 178.9803 1152 I 3.5565 8.2555 119.4473 64.3366 37.2136 177.9858 1153 F 4.2149 8.9973 122.4150 61.4207 39.0743 177.2965 1154 G 3.5572 8.5270 105.5716 47.9290 0.0000 175.5347 1155 E 3.7136 7.7270 120.8536 58.4056 29.6250 178.9295 1156 S 3.9715 8.2377 114.6413 61.3549 62.4672 176.0850 1157 L 3.7941 7.4808 122.7661 57.6332 41.6313 178.4576 1158 L 4.0674 8.1301 120.7656 58.2326 41.9142 178.8673 1159 E 4.0004 7.9663 118.6119 59.3227 29.1532 179.1007 1160 I 3.6892 7.0682 117.6017 64.6326 37.5062 177.6722 1161 K 4.0186 8.1811 119.8585 60.0160 31.7530 178.0726 1162 E 3.9786 8.5189 118.5763 59.8654 29.6810 179.3871 1163 S 4.2083 8.2225 111.4783 59.1506 62.7740 173.9443 1164 K 4.6998 7.8465 120.6084 55.0575 34.5129 175.9298 1165 E 4.2394 8.4841 121.0003 56.7873 30.5370 175.1787 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 1005 S 8.19 4.33 0.00 3.86 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 1006 L 8.45 3.00 0.00 1.93 1.79 0.93 0.56 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 1007 R 8.70 4.49 0.00 1.76 1.97 0.00 3.33 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.63 0.00 1008 T 8.66 4.17 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 1.23 0.00 0.00 1009 K 7.61 3.88 0.00 1.51 1.59 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.34 7.81 1010 G 7.73 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 0.00 0.00 0.00 0.00 1011 N 8.61 5.11 0.00 2.69 2.72 0.00 0.00 6.80 7.96 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 1012 A 9.88 4.38 1.28 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 0.00 0.00 0.00 1013 E 8.73 4.36 0.00 2.10 1.82 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 2.23 2.27 0.00 1014 L 8.56 4.84 0.00 1.52 1.58 0.91 0.86 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 1015 I 9.13 4.36 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.88 0.00 0.00 1016 L 8.25 4.51 0.00 1.67 1.58 0.86 0.93 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 1017 Q 7.97 3.37 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 1018 I 6.98 4.06 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.49 0.00 0.00 1019 D 8.59 4.67 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1020 A 8.28 5.18 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 1021 Y 8.14 4.69 0.00 3.17 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 1022 L 9.00 4.31 0.00 1.21 1.43 0.63 -0.25 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 1023 P 0.00 4.55 0.00 2.11 1.86 0.00 3.46 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.30 0.00 1024 D 8.86 4.83 0.00 2.67 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 1025 T 7.95 4.02 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 1.24 0.00 0.00 1026 Y 7.89 4.70 0.00 2.75 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 1027 I 7.06 4.20 1.57 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.39 0.67 0.00 0.00 1028 S 8.73 4.10 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 1029 D 7.85 4.39 0.00 2.70 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 1030 Q 8.58 3.99 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 1031 R 8.18 4.03 0.00 2.07 2.20 0.00 3.03 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 1032 H 8.59 4.13 0.00 3.39 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1033 K 8.23 3.83 0.00 2.09 1.94 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.63 7.81 1034 I 8.06 4.08 2.11 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 0.94 0.96 0.00 0.00 1035 E 8.35 3.94 0.00 2.03 2.28 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 2.32 2.37 0.00 1036 I 8.43 3.56 1.67 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 1.42 0.43 0.73 0.00 0.00 1037 Y 8.75 4.26 0.00 3.23 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 1038 K 8.51 3.90 0.00 1.85 2.13 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 1039 K 8.59 3.97 0.00 1.91 1.91 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.69 7.81 1040 I 8.09 3.92 2.21 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 1.52 1.09 1.00 0.00 0.00 1041 R 8.00 4.14 0.00 1.96 2.02 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 1042 Q 7.60 4.55 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.03 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 1043 I 7.55 3.81 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 1.02 0.00 0.00 1044 D 8.96 4.49 0.00 2.62 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 1045 N 7.58 4.65 0.00 2.84 2.79 0.00 0.00 5.91 7.66 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 1046 R 8.69 3.75 0.00 1.92 2.02 0.00 3.27 0.00 0.00 3.54 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 1047 V 8.15 3.75 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 0.74 0.00 0.00 0.96 0.00 0.00 1048 N 8.65 4.38 0.00 2.78 2.78 0.00 0.00 6.64 7.36 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 1049 Y 7.27 3.90 0.00 3.06 3.09 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 0.00 1050 E 9.18 4.00 0.00 2.26 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 2.58 2.87 0.00 1051 E 8.68 3.96 0.00 2.15 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 2.48 0.00 1052 L 8.31 4.00 0.00 1.83 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 1053 Q 8.14 3.91 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.44 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 1054 E 8.29 3.93 0.00 2.31 2.05 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 1063 Y 7.07 3.89 0.00 2.19 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 0.00 0.00 0.00 1064 P 0.00 4.44 0.00 2.09 2.09 0.00 3.00 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 1.78 1.78 0.00 1065 D 8.47 3.98 0.00 2.55 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 0.00 0.00 0.00 1066 V 7.58 4.02 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 0.97 0.00 0.00 0.58 0.00 0.00 1067 V 7.66 3.36 1.96 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 0.43 0.00 0.00 0.60 0.00 0.00 1068 A 7.94 3.96 1.34 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 0.00 0.00 1069 Y 8.05 4.39 0.00 3.17 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 1070 L 7.92 4.05 0.00 1.97 1.70 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 1.01 0.59 0.74 0.00 0.00 1096 T 8.60 4.95 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 1.27 0.00 0.00 1097 I 8.69 4.52 1.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.23 0.00 0.00 1098 Q 8.97 4.63 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 1099 F 8.67 5.25 0.00 3.09 3.21 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 1100 E 8.97 4.56 0.00 2.09 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 2.59 2.79 0.00 1101 K 8.90 3.97 0.00 1.81 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.55 7.81 1102 V 7.82 3.52 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 0.61 0.00 0.00 0.78 0.00 0.00 1103 T 8.17 3.47 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.65 4.72 0.00 2.82 2.81 0.00 0.00 7.28 6.08 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 1129 K 9.28 3.72 0.00 2.04 1.87 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 1130 G 8.16 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 0.00 0.00 0.00 0.00 1131 L 7.14 4.68 0.00 1.79 0.97 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *1133 E 8.59 4.56 0.00 1.93 1.86 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 2.27 2.37 0.00 1134 L 8.29 4.95 0.00 1.45 1.14 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 1135 V 8.32 4.80 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 0.72 0.00 0.00 0.89 0.00 0.00 1136 F 9.68 5.04 0.00 2.79 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 1137 D 8.48 4.92 0.00 2.69 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 1138 V 8.61 4.42 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 0.67 0.00 0.00 0.91 0.00 0.00 1139 Q 7.84 3.96 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.11 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 1140 N 8.72 4.24 0.00 2.86 2.93 0.00 0.00 6.92 7.61 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 1141 K 7.44 4.55 0.00 1.82 1.61 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.48 7.81 1142 K 9.33 4.11 0.00 1.12 1.54 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.32 7.81 1143 D 8.85 4.23 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1144 Y 7.98 4.41 0.00 3.34 3.46 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 1145 E 7.24 3.85 0.00 1.87 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 1.81 1.47 0.00 1146 I 7.28 3.61 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.71 0.00 0.00 1147 L 8.23 3.92 0.00 1.97 1.78 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1148 E 8.41 4.04 0.00 2.13 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 2.33 2.35 0.00 1149 G 8.08 3.53 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 0.00 0.00 0.00 1150 L 7.92 3.96 0.00 1.77 1.68 0.75 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 1151 L 8.23 3.82 0.00 1.72 1.82 0.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 1152 I 8.26 3.56 2.07 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 1.38 0.39 0.91 0.00 0.00 1153 F 9.00 4.21 0.00 3.23 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 1154 G 8.53 3.56 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 0.00 0.00 0.00 1155 E 7.73 3.71 0.00 1.92 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 0.00 0.00 0.00 2.25 2.10 0.00 1156 S 8.24 3.97 0.00 3.84 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 1157 L 7.48 3.79 0.00 1.24 1.45 0.18 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 1158 L 8.13 4.07 0.00 2.04 1.76 1.07 1.26 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 1159 E 7.97 4.00 0.00 2.12 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 2.35 2.65 0.00 1160 I 7.07 3.69 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 0.99 0.00 0.00 1161 K 8.18 4.02 0.00 2.18 2.17 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.57 0.00 0.00 0.00 0.00 1.52 1.53 7.81 1162 E 8.52 3.98 0.00 2.07 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 2.68 2.54 0.00 1163 S 8.22 4.21 0.00 4.04 4.10 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 0.00 0.00 0.00 0.00 1164 K 7.85 4.70 0.00 1.68 1.66 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.41 7.81 1165 E 8.48 4.24 0.00 1.87 1.77 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 2.21 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.