NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1027 Q 4.3389 8.3293 118.8283 55.2784 30.2170 175.1618 1028 P 4.5538 0.0000 0.0000 62.4195 32.6161 173.9683 1029 T 4.8003 9.2732 113.0280 59.5949 72.1087 174.6443 1030 A 4.8333 9.0421 126.6930 50.6864 19.3084 175.3553 1031 P 4.6567 0.0000 0.0000 62.7348 32.3426 176.2577 1032 K 4.4315 9.3234 117.7475 56.7713 34.2942 176.4781 1033 D 4.6396 8.3242 116.9757 52.8227 43.3321 174.1978 1034 F 4.7016 8.5576 130.3882 57.6993 40.0915 176.7643 1035 S 4.2156 8.5356 116.1129 60.0602 62.8683 175.2592 1036 S 3.9234 7.4092 114.6923 58.9843 63.1061 175.2354 1037 G 3.8735 8.8083 109.0897 45.2206 0.0000 172.5228 1038 F 4.5450 5.8960 112.1437 54.8836 41.0219 174.3906 1039 W 4.1230 9.0801 121.6143 56.7281 27.6149 176.6963 1040 D 4.8615 8.0094 122.2329 52.1507 40.3992 176.6144 1041 F 4.0240 7.5447 117.3188 58.7913 36.6492 175.8680 1042 N 5.0217 9.1641 115.3609 53.2968 38.3618 175.3471 1043 D 4.7087 8.1466 117.0360 52.8010 39.6895 177.4321 1044 G 3.9400 8.4043 106.8290 46.1948 0.0000 173.3133 1045 T 4.6581 8.0768 109.4848 59.9729 71.2919 174.2248 1046 T 4.5168 8.9264 109.6666 61.1573 69.0815 174.8782 1047 Q 3.7280 9.5264 120.1057 57.4256 27.3314 174.7838 1048 G 4.1495 8.6703 106.9377 45.2376 0.0000 174.1866 1049 F 4.8310 8.0735 118.4443 57.7011 39.8105 175.0758 1050 G 4.1352 8.7245 108.3093 45.2291 0.0000 172.5311 1051 V 4.1598 8.3702 120.4247 62.7774 32.2317 175.2177 1052 N 4.5624 9.3382 127.0742 52.8944 39.4605 174.2807 1053 P 4.2946 0.0000 0.0000 65.2679 31.6298 176.8793 1054 D 4.8036 7.9094 115.4648 53.7849 40.1437 176.2687 1055 S 4.2950 7.9753 116.2903 57.5999 62.7547 173.2683 1056 P 4.3561 0.0000 0.0000 64.2080 31.7102 176.1716 1057 I 4.6426 7.2351 120.5249 59.7371 39.9591 175.1067 1058 T 4.4645 8.5195 113.2219 61.9135 70.8079 174.3592 1059 A 4.3542 7.8790 125.3715 52.6342 18.2681 176.8629 1060 I 4.5107 7.5252 120.9656 60.4893 39.8697 175.8444 1061 N 4.7032 8.5103 126.1058 52.7910 40.5321 173.8890 1062 V 4.8794 8.2870 125.0626 61.2012 34.1474 173.9568 1063 E 4.7560 9.0065 124.9699 55.0749 33.8217 173.2845 1064 N 5.2277 8.6695 118.7856 52.2638 40.1232 174.0136 1065 A 4.5293 8.6127 128.7603 51.5475 22.0004 175.5131 1066 N 4.3279 9.7041 121.6330 54.8297 36.1023 173.7252 1067 N 4.7132 8.5211 106.2140 53.1524 36.7501 174.0305 1068 A 4.6423 7.6601 117.2874 50.6316 23.8567 176.2253 1069 L 4.2203 8.0110 121.8717 53.5563 42.7945 175.1321 1070 K 4.6251 8.7509 129.4825 54.8477 33.7167 175.3227 1071 I 4.8630 8.8125 128.7932 59.8806 39.4775 174.7890 1072 S 4.9017 8.7661 123.4734 57.3677 66.0895 174.5928 1073 N 4.6179 8.9906 118.4348 54.7694 36.5876 176.8555 1074 L 3.9474 8.0066 120.5864 57.9456 41.6534 178.7424 1075 N 4.2651 7.7534 116.4633 56.9693 38.7787 177.1634 1076 S 4.2005 8.6684 115.4722 61.0866 62.9343 175.8896 1077 K 4.4308 7.8639 118.6670 55.8007 32.0123 177.5091 1078 G 3.8499 7.8324 107.3465 46.0573 0.0000 175.1577 1079 S 4.6113 8.2915 116.7992 57.2342 60.8327 174.1001 1080 N 4.9971 7.5725 112.8930 52.4774 38.3014 174.2795 1081 D 4.5715 8.5764 119.1440 54.9178 41.6320 175.8210 1082 L 4.6708 8.5390 125.4861 54.4611 42.3310 176.5847 1083 S 4.6758 8.3884 114.2067 57.4948 64.2426 174.2865 1084 E 4.1686 8.9265 120.5889 58.8438 29.3951 179.0327 1085 G 3.9510 8.0831 104.8304 45.6257 0.0000 173.2005 1086 N 4.8931 8.0213 119.3562 52.9962 39.4351 176.5332 1087 F 4.3085 7.4426 113.7102 58.5926 38.0966 176.8704 1088 W 4.4787 7.0640 120.2714 59.3582 28.8543 176.7136 1089 A 4.3010 8.0668 119.7286 53.6097 18.2704 177.0341 1090 N 5.0366 8.2352 113.9912 51.6035 40.5277 175.5519 1091 V 3.8705 8.7458 120.2262 62.2406 32.9434 175.2362 1092 R 4.7911 8.9451 121.5274 54.4361 33.0020 174.9020 1093 I 5.0496 8.7731 124.6896 59.4944 40.5965 174.8176 1094 S 4.9597 9.1593 120.1151 55.8145 67.1913 173.9289 1095 A 4.3153 7.2557 123.2956 50.4732 17.7086 178.9452 1096 D 4.5025 7.9208 122.7332 56.6036 41.8556 178.2474 1097 I 4.5520 7.4895 111.9352 60.2195 37.9744 177.7605 1098 W 4.1420 8.4489 132.4157 61.5722 30.5840 177.9863 1099 G 3.8269 8.1958 102.6081 45.7578 0.0000 172.5804 1100 Q 4.1446 5.7400 118.6097 53.7715 31.2913 174.4695 1101 S 4.5874 7.2433 110.7387 57.6921 66.1094 173.7546 1102 I 4.6735 8.5806 121.5098 59.6101 40.8374 174.0284 1103 N 4.9731 9.0498 126.8200 52.7692 39.4743 174.4373 1104 I 5.0342 8.5825 119.7369 59.7292 38.0398 174.5642 1105 Y 4.2463 8.0838 122.6140 59.8711 38.7315 176.7392 1106 G 3.7156 8.1132 115.9191 45.3213 0.0000 173.4198 1107 D 4.7097 7.9610 120.1889 54.5084 41.7341 176.6035 1108 T 4.4942 8.7938 108.5636 60.8869 70.9270 173.4171 1109 K 5.2496 8.2460 121.2256 54.6926 37.1162 174.9585 1110 L 4.6987 9.4354 125.4786 53.8936 44.4278 175.3815 1111 T 5.2594 8.4066 122.9502 60.7610 72.6955 172.9178 *1113 D 4.6738 8.3132 120.5199 54.4088 42.7793 175.0380 1114 V 4.8098 8.6562 122.6959 61.2245 33.9510 174.3353 1115 I 5.3226 9.1150 128.3023 59.9360 40.8166 174.4139 1116 A 4.9661 8.8195 125.2916 50.3675 22.5209 175.7788 1117 P 4.5558 0.0000 0.0000 65.1351 31.7971 176.0850 1118 T 4.0974 7.1912 111.5188 59.4673 70.3266 170.9779 1119 P 3.6194 0.0000 0.0000 62.7647 31.6707 176.0650 1120 V 4.3822 6.1098 113.6517 59.9727 36.6732 173.7888 1121 N 5.2109 9.4299 118.8997 51.7515 40.9266 174.6563 1122 V 4.7849 8.6702 122.9876 61.0973 35.5956 173.7977 1123 S 4.9996 9.1946 121.7360 56.5267 65.5123 172.6845 1124 I 5.6976 9.0532 126.4675 58.6338 41.4646 174.0041 1125 A 4.7635 8.5081 126.7653 49.8898 22.0988 174.6570 1126 A 5.0090 8.0798 120.5220 50.4314 22.7065 176.4416 1127 I 4.3552 8.5874 120.6365 58.5357 38.4877 173.5947 1128 P 4.6013 0.0000 0.0000 62.5103 32.4464 175.4928 1129 Q 5.0817 9.3254 120.8949 54.4013 33.1368 174.4250 1130 S 5.0344 8.8251 115.5517 56.6562 66.3582 173.9548 1131 S 4.2260 9.0395 114.0587 61.3681 61.9023 174.8494 1132 T 4.4023 8.3868 107.0546 61.8237 69.3889 174.6349 1133 H 4.9086 7.9468 119.9024 54.1603 29.2055 173.8382 1134 G 3.9524 8.5025 111.6596 46.5389 0.0000 171.1990 1135 W 4.7694 7.9241 126.9124 56.7611 33.3963 173.6826 1136 G 4.0886 7.0906 110.2745 44.5284 0.0000 172.9006 1137 N 4.7689 9.1090 123.1905 52.4621 39.1716 173.4259 1138 P 4.2733 0.0000 0.0000 62.7667 32.2798 176.7533 1139 T 4.2257 8.6604 112.6476 64.5158 69.2702 174.5157 1140 R 5.1081 7.3033 114.3945 55.2115 31.7416 174.3803 1141 A 4.3514 8.8001 122.7119 51.0915 20.5860 176.6679 1142 I 4.4184 8.4886 121.0526 59.6591 39.6038 175.1918 1143 R 4.8376 8.4248 124.2575 54.2775 33.1914 175.4233 1144 V 4.2576 8.1516 115.1575 59.3743 35.0765 175.2843 1145 W 5.4238 8.5659 124.0404 54.7669 32.2702 176.8135 1146 T 4.0674 9.1847 111.2784 65.2204 67.8514 175.7908 1147 N 4.6830 8.3413 116.6829 54.2320 37.5746 175.0199 1148 N 4.6891 8.5783 116.1797 53.9707 39.3616 174.9992 1149 F 4.6001 8.1189 117.7080 56.8278 40.1136 175.2167 1150 V 4.5441 8.8429 123.5097 60.7695 33.7187 174.7160 1151 A 3.6326 8.6730 129.7751 52.0902 18.8891 176.8495 1152 Q 4.5516 8.7140 121.8348 53.9736 31.2615 177.0372 1153 T 3.7377 8.5989 110.7887 64.7145 68.5485 174.5948 1154 D 4.5492 8.0178 119.0323 53.0695 39.7445 176.9948 1155 G 3.8759 8.2810 110.1538 45.5753 0.0000 173.9644 1156 T 4.5305 8.0352 110.4339 61.3625 71.2585 172.9780 1157 Y 5.2216 9.3387 118.2952 56.2281 41.9968 175.1620 1158 K 5.3901 9.3213 122.4345 54.9104 36.2558 174.8215 1159 A 4.6556 8.6195 126.7682 50.3418 22.8458 174.7106 1160 T 4.6071 8.1939 116.3071 61.8290 70.3280 173.9541 1161 L 4.6589 8.3127 127.6102 53.4240 45.0105 174.8494 1162 T 4.8841 8.4580 121.9190 61.7754 71.8666 173.1075 1163 I 4.6526 8.9849 127.5127 59.5871 39.8255 175.6360 1164 S 5.3472 9.2514 122.5566 56.7455 65.4534 175.2813 1165 T 3.5961 8.0615 109.8406 63.4991 68.3263 174.9951 1166 N 4.5634 7.7623 118.3997 54.3651 39.1861 175.2609 1167 D 5.0118 8.2476 117.2422 53.6559 42.3876 175.8112 1168 S 4.6400 7.6586 112.5962 54.9609 64.5328 171.6195 1169 P 4.2405 0.0000 0.0000 65.9695 31.1726 178.0437 1170 N 4.3390 8.1302 114.9273 56.2358 38.8173 176.6478 1171 F 4.4168 8.1021 121.9871 61.3631 39.5254 176.3952 1172 N 4.0328 8.2017 116.6790 56.8698 38.7479 176.8404 1173 T 3.8075 8.0900 117.3360 66.7666 68.6924 176.7121 1174 I 3.8080 7.9843 121.3798 64.3832 37.1459 178.4130 1175 A 4.2979 8.4973 121.6135 54.1179 17.8942 178.5405 1176 T 4.1868 7.3923 105.1155 61.2381 69.5839 174.1167 1177 D 4.7198 7.7224 122.7754 52.6000 40.4740 176.4027 1178 A 3.6808 8.7247 130.2086 54.6864 18.5538 178.3858 1179 A 4.2265 8.0673 117.5816 54.3578 18.9582 177.8507 1180 D 4.7520 7.8877 113.8175 53.5504 42.8960 174.4288 1181 S 5.4175 8.1888 116.6395 56.8005 65.0248 173.7200 1182 V 4.6986 7.3497 120.8979 61.7956 32.5150 175.5273 1183 V 4.2665 8.8621 130.1846 63.2489 32.1642 176.1596 1184 T 4.6603 8.9864 116.9293 61.5553 70.1145 173.2182 1185 N 4.6592 7.9356 119.0548 53.8621 43.5571 171.9546 *1187 I 4.2983 7.9524 117.1242 61.4504 39.0981 174.6999 1188 L 5.1012 8.9907 126.4524 52.8878 45.0497 175.3188 1189 F 5.0214 9.3206 122.7193 55.8984 40.8926 174.9077 1190 V 4.7968 8.4925 124.1300 60.9722 33.7728 174.9577 1191 G 4.8223 8.9482 114.4916 45.3551 0.0000 171.1878 1192 S 5.4918 8.5996 114.7233 58.0976 65.1683 174.1194 1193 N 4.7465 8.8567 120.2700 53.0956 37.6621 174.6102 1194 S 4.7139 8.0758 115.1224 56.9667 64.6866 173.6691 1195 D 4.7646 8.4181 124.5750 54.3575 40.8373 175.6724 1196 N 5.0665 7.9409 119.6743 52.7388 40.8022 173.2981 1197 I 4.9567 8.4561 119.3400 59.4239 41.4887 174.2199 1198 S 5.0903 9.1720 117.7403 56.8857 67.4842 173.1687 1199 L 4.9967 8.5190 122.1078 53.3244 44.6838 175.0803 1200 D 5.0854 8.8797 120.4671 52.9511 44.8082 174.1392 1201 N 4.5377 8.8719 117.1856 54.5267 36.2838 175.6091 1202 I 4.3956 8.1096 119.3209 60.9840 38.5164 177.1516 1203 K 4.9501 9.0206 126.0652 55.4746 36.4285 174.9052 1204 F 5.3984 8.8307 119.9182 56.6221 40.9383 175.1546 1205 T 4.7329 9.1653 112.3041 60.8021 73.0094 174.2347 1206 K 4.1985 8.5071 119.7197 56.6361 32.4295 176.6054 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 1027 Q 8.33 4.34 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 1028 P 0.00 4.55 0.00 2.24 2.27 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 1029 T 9.27 4.80 4.31 0.00 0.00 0.00 0.00 0.00 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 1030 A 9.04 4.83 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 1031 P 0.00 4.66 0.00 2.35 2.31 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 1032 K 9.32 4.43 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.38 7.81 1033 D 8.32 4.64 0.00 2.57 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 1034 F 8.56 4.70 0.00 3.04 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 1035 S 8.54 4.22 0.00 3.93 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 1036 S 7.41 3.92 0.00 3.16 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 1038 F 5.90 4.54 0.00 3.31 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 1039 W 9.08 4.12 0.00 3.59 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 0.00 0.00 0.00 1040 D 8.01 4.86 0.00 2.72 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1041 F 7.54 4.02 0.00 3.57 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 1042 N 9.16 5.02 0.00 2.76 2.86 0.00 0.00 6.87 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 1043 D 8.15 4.71 0.00 2.80 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 1044 G 8.40 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 0.00 0.00 0.00 1045 T 8.08 4.66 4.57 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 1.43 0.00 0.00 1046 T 8.93 4.52 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1047 Q 9.53 3.73 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 1048 G 8.67 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 1049 F 8.07 4.83 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1050 G 8.72 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1051 V 8.37 4.16 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 0.83 0.00 0.00 0.93 0.00 0.00 1052 N 9.34 4.56 0.00 2.81 2.70 0.00 0.00 6.95 7.81 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 1053 P 0.00 4.29 0.00 2.10 2.12 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 1054 D 7.91 4.80 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1055 S 7.98 4.29 0.00 4.02 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 1056 P 0.00 4.36 0.00 2.30 2.26 0.00 3.90 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 2.12 2.32 0.00 1057 I 7.24 4.64 1.90 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 1.38 0.72 0.92 0.00 0.00 1058 T 8.52 4.46 4.25 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 1.22 0.00 0.00 1059 A 7.88 4.35 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 1060 I 7.53 4.51 1.85 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 1.22 0.95 0.92 0.00 0.00 1061 N 8.51 4.70 0.00 2.78 2.64 0.00 0.00 6.23 7.64 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 1062 V 8.29 4.88 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 0.86 0.00 0.00 0.89 0.00 0.00 1063 E 9.01 4.76 0.00 2.03 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 2.14 2.22 0.00 1064 N 8.67 5.23 0.00 2.89 2.90 0.00 0.00 6.68 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 1065 A 8.61 4.53 1.19 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 0.00 0.00 1066 N 9.70 4.33 0.00 2.84 2.87 0.00 0.00 7.15 8.00 0.00 0.00 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 N 8.52 4.71 0.00 2.96 3.16 0.00 0.00 7.25 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 1068 A 7.66 4.64 1.19 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 0.00 0.00 1069 L 8.01 4.22 0.00 0.27 0.88 0.72 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 1070 K 8.75 4.63 0.00 1.76 1.58 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.20 7.81 1071 I 8.81 4.86 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 1.07 1.06 0.83 0.00 0.00 1072 S 8.77 4.90 0.00 3.73 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 1073 N 8.99 4.62 0.00 2.89 2.93 0.00 0.00 7.17 6.36 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 1074 L 8.01 3.95 0.00 1.84 1.88 0.87 0.53 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 1075 N 7.75 4.27 0.00 2.67 2.93 0.00 0.00 7.27 7.51 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 1076 S 8.67 4.20 0.00 3.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1077 K 7.86 4.43 0.00 1.95 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.49 7.81 1078 G 7.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1079 S 8.29 4.61 0.00 3.84 3.88 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 1080 N 7.57 5.00 0.00 2.81 2.95 0.00 0.00 6.31 8.06 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 1081 D 8.58 4.57 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1082 L 8.54 4.67 0.00 1.82 1.59 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 1083 S 8.39 4.68 0.00 4.03 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 1084 E 8.93 4.17 0.00 2.13 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 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0.00 1093 I 8.77 5.05 1.75 0.00 0.00 0.74 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 0.72 0.97 0.00 0.00 1094 S 9.16 4.96 0.00 3.80 3.88 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 1095 A 7.26 4.32 0.37 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 1096 D 7.92 4.50 0.00 2.69 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 1097 I 7.49 4.55 1.90 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 1.47 1.03 0.94 0.00 0.00 1098 W 8.45 4.14 0.00 3.29 3.33 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 1099 G 8.20 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1100 Q 5.74 4.14 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 1101 S 7.24 4.59 0.00 3.78 3.51 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 1102 I 8.58 4.67 2.05 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 1.46 1.32 1.06 0.00 0.00 1103 N 9.05 4.97 0.00 2.76 2.78 0.00 0.00 7.04 7.94 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 1104 I 8.58 5.03 1.85 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 1.18 1.58 0.12 0.00 0.00 1105 Y 8.08 4.25 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1106 G 8.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1107 D 7.96 4.71 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1108 T 8.79 4.49 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 1.11 0.00 0.00 1109 K 8.25 5.25 0.00 1.74 1.73 0.00 1.61 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1127 I 8.59 4.36 1.65 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.59 0.55 0.00 0.00 1128 P 0.00 4.60 0.00 1.99 2.09 0.00 3.65 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.05 0.00 1129 Q 9.33 5.08 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 1130 S 8.83 5.03 0.00 4.00 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 1131 S 9.04 4.23 0.00 3.85 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 1132 T 8.39 4.40 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 1133 H 7.95 4.91 0.00 3.28 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1134 G 8.50 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 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8.42 4.84 0.00 1.23 0.66 0.00 3.18 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 1144 V 8.15 4.26 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 0.61 0.00 0.00 0.91 0.00 0.00 1145 W 8.57 5.42 0.00 3.34 3.15 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 0.00 0.00 0.00 1146 T 9.18 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1147 N 8.34 4.68 0.00 2.90 3.05 0.00 0.00 5.98 8.04 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 1148 N 8.58 4.69 0.00 2.80 2.79 0.00 0.00 6.96 7.31 0.00 0.00 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 F 8.12 4.60 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1150 V 8.84 4.54 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 0.94 0.00 0.00 0.94 0.00 0.00 1151 A 8.67 3.63 0.96 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 0.00 0.00 1152 Q 8.71 4.55 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 1153 T 8.60 3.74 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 1.19 0.00 0.00 1154 D 8.02 4.55 0.00 2.79 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 1155 G 8.28 3.88 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 0.00 0.00 0.00 1156 T 8.04 4.53 4.47 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 0.00 0.00 0.00 1.31 0.00 0.00 1157 Y 9.34 5.22 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1158 K 9.32 5.39 0.00 1.82 1.73 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.50 7.81 1159 A 8.62 4.66 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1160 T 8.19 4.61 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1161 L 8.31 4.66 0.00 1.53 1.35 0.83 0.64 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 1162 T 8.46 4.88 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 1163 I 8.98 4.65 1.80 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 1.18 0.54 0.92 0.00 0.00 1164 S 9.25 5.35 0.00 3.91 3.99 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 1165 T 8.06 3.60 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 1166 N 7.76 4.56 0.00 2.73 2.88 0.00 0.00 6.85 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1167 D 8.25 5.01 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1168 S 7.66 4.64 0.00 3.81 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 1169 P 0.00 4.24 0.00 2.22 2.14 0.00 3.72 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 2.32 2.19 0.00 1170 N 8.13 4.34 0.00 2.79 2.81 0.00 0.00 6.81 7.71 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 1171 F 8.10 4.42 0.00 3.10 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 1172 N 8.20 4.03 0.00 3.00 2.92 0.00 0.00 7.28 7.05 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 1173 T 8.09 3.81 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1174 I 7.98 3.81 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 0.98 0.00 0.00 1175 A 8.50 4.30 1.25 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 0.00 0.00 1176 T 7.39 4.19 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 1.10 0.00 0.00 1177 D 7.72 4.72 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1178 A 8.72 3.68 1.09 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 0.00 0.00 1179 A 8.07 4.23 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 1180 D 7.89 4.75 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1181 S 8.19 5.42 0.00 4.17 4.47 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 0.00 0.00 0.00 0.00 1182 V 7.35 4.70 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 0.74 0.00 0.00 0.94 0.00 0.00 1183 V 8.86 4.27 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 1.31 0.00 0.00 0.73 0.00 0.00 1184 T 8.99 4.66 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 1.20 0.00 0.00 1185 N 7.94 4.66 0.00 2.89 2.94 0.00 0.00 7.15 7.70 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 *1187 I 7.95 4.30 1.78 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.58 0.00 0.00 1188 L 8.99 5.10 0.00 1.43 1.36 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 1189 F 9.32 5.02 0.00 2.73 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 1190 V 8.49 4.80 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 0.80 0.00 0.00 1191 G 8.95 4.82 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 0.00 0.00 0.00 1192 S 8.60 5.49 0.00 3.79 3.64 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 1193 N 8.86 4.75 0.00 2.76 2.92 0.00 0.00 5.84 7.64 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 1194 S 8.08 4.71 0.00 3.76 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1195 D 8.42 4.76 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1196 N 7.94 5.07 0.00 2.65 2.65 0.00 0.00 6.84 8.07 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 1197 I 8.46 4.96 1.85 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 1.16 1.06 0.85 0.00 0.00 1198 S 9.17 5.09 0.00 3.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1199 L 8.52 5.00 0.00 1.26 1.37 0.62 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1200 D 8.88 5.09 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1201 N 8.87 4.54 0.00 2.91 2.82 0.00 0.00 6.99 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1202 I 8.11 4.40 2.12 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.70 0.00 0.00 1203 K 9.02 4.95 0.00 1.50 1.27 0.00 0.98 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.16 1.20 7.81 1204 F 8.83 5.40 0.00 3.04 3.28 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 1205 T 9.17 4.73 4.25 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 1.17 0.00 0.00 1206 K 8.51 4.20 0.00 1.76 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.