NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 935 L 4.5458 8.0427 120.6429 54.9151 43.2693 177.7426 936 S 4.0623 7.9370 113.6745 58.3210 62.9792 172.8562 937 W 4.5221 9.1448 120.8220 59.8105 28.1104 177.3905 938 L 3.0572 5.8698 119.7646 57.5006 40.9205 179.1184 939 H 4.1928 7.7285 117.2466 59.2678 30.0680 176.7859 940 E 4.1433 8.7826 120.5671 59.3719 29.1984 179.7484 941 I 3.7574 7.5696 119.4570 64.3342 37.2398 177.7920 942 N 4.5300 7.4499 114.6211 56.1792 38.7620 175.9465 943 S 4.3982 7.6721 114.1186 57.8038 63.2388 174.3770 944 Q 3.6247 8.0375 119.8231 57.1256 26.8456 175.2006 945 E 4.3060 7.8043 120.8550 55.6425 27.4511 176.3887 946 L 4.3019 7.7528 122.7307 56.3982 42.0756 177.9706 947 E 3.6956 7.8946 118.4350 59.0063 29.3142 179.0392 948 K 4.1667 7.9558 117.6736 58.8920 32.5042 179.0034 949 A 4.9750 8.1483 122.5623 54.8935 18.2197 179.1195 950 H 4.1338 8.6254 116.7915 59.2364 29.9671 177.3828 951 A 3.9716 7.7811 122.1695 55.3287 18.2711 179.6307 952 T 3.8423 8.1045 108.0008 64.9395 68.8185 176.3036 953 L 3.6331 7.9975 122.0354 57.4283 41.4469 179.3328 954 L 3.9805 7.8919 119.0651 57.8830 42.1999 179.1339 955 G 3.6620 7.8660 105.4486 47.8707 0.0000 175.4678 956 L 3.9421 8.0512 122.3152 57.4992 41.7042 179.5048 957 A 3.9158 7.9262 120.3326 55.4412 18.0189 179.4518 958 N 4.4561 7.8269 113.8310 56.1946 38.7703 176.9257 959 M 4.2948 7.4939 118.1963 55.2211 32.5620 176.1781 960 E 4.1829 7.2143 120.3947 56.2407 30.4788 176.3578 961 T 4.7130 8.2116 112.0910 61.6955 72.5924 175.7873 962 R 3.7153 8.2120 122.9559 58.4062 30.6295 175.3949 963 Y 5.2522 8.1430 115.7224 55.2178 41.3118 175.7934 964 F 4.1420 9.2392 127.4993 61.5321 39.6526 177.0235 965 A 4.0530 8.2869 119.7677 54.9512 18.0686 179.4369 966 K 3.8189 8.0038 117.6977 59.3583 32.4405 178.5925 967 K 3.7334 8.0410 119.9062 59.5810 31.9902 178.2899 968 K 3.5710 7.8853 118.7677 60.0044 31.9088 179.0954 969 T 3.7515 7.7516 115.1445 66.7589 68.4169 176.4962 970 L 3.5970 7.8507 120.8167 57.8075 41.5470 179.5543 971 L 3.9428 7.9999 120.1913 57.8990 42.0015 179.1543 972 G 3.5691 8.2618 106.0383 47.7693 0.0000 175.5036 973 L 3.9276 8.5390 122.7367 57.5062 41.6446 179.4443 974 S 4.0454 8.4016 113.2622 61.4779 62.2962 176.2684 975 K 4.0437 8.2853 122.2697 59.3043 31.8139 178.8218 976 L 3.9796 8.1730 119.2348 57.6200 41.3498 179.0627 977 A 4.0004 7.8533 119.1212 55.2520 18.5114 178.9773 978 A 4.3068 8.0993 119.0037 55.7204 18.2402 179.8970 979 L 3.9986 7.9382 115.5037 57.4358 41.7817 178.7098 980 A 4.4770 8.0435 118.1043 53.5706 19.4311 177.9456 981 S 4.6263 7.7200 114.3086 57.3050 67.0623 173.7753 982 D 4.9430 7.5980 120.9307 54.3332 41.3209 176.7891 983 F 4.5624 7.9257 116.6734 57.2024 39.7690 175.4716 984 S 4.3032 8.6359 116.9452 58.1034 62.4765 174.8268 985 E 3.5512 8.8975 125.9820 58.5854 29.1165 178.1247 986 D 4.4530 7.6557 116.9805 56.3169 42.2296 177.7507 987 M 3.8556 8.0745 116.9796 59.0076 32.2845 177.4356 988 L 3.8924 8.8788 121.4531 58.0414 42.5224 178.4607 989 Q 3.9590 7.8482 119.2287 58.5238 28.7353 178.2692 990 E 4.0802 8.2062 120.4391 59.0735 29.8960 178.5093 991 K 4.1675 7.9158 120.0408 58.9852 32.1364 179.2684 992 I 3.8089 7.6422 117.7474 63.1518 37.6304 177.2870 993 E 3.9387 7.3901 118.9203 59.5128 29.9481 178.1839 994 E 4.1839 7.9056 116.5383 58.7257 29.8699 178.3790 995 M 4.2209 8.0198 119.5971 57.7828 31.7119 178.1296 996 A 4.0164 7.8328 120.9370 54.5293 18.1982 179.1093 997 E 4.0352 7.5325 117.0642 59.1058 30.0455 178.0734 998 Q 4.1975 7.9919 119.2052 58.9566 29.0205 177.2616 999 E 3.9369 8.5867 120.6997 59.2081 29.3484 178.7676 1000 R 3.7625 7.5576 117.3739 58.6226 30.4567 177.6514 1001 F 4.1124 8.2902 120.6461 60.4593 39.7271 177.0310 1002 L 4.3706 7.8680 116.4037 56.1327 41.5310 178.6119 1003 L 4.0215 7.4226 121.3900 58.0488 41.7413 178.4664 1004 H 4.0903 7.4545 115.1441 59.0117 28.8325 177.3693 1005 Q 3.7839 7.6755 120.6660 58.6870 28.5944 177.4441 1006 E 3.9663 7.8453 120.2960 58.7244 29.6782 177.7963 1007 T 4.5581 7.4866 107.5919 60.4592 69.7863 174.5435 1008 L 3.9375 7.0163 122.3990 54.4598 42.1254 175.9044 1009 P 4.1844 0.0000 0.0000 63.1658 32.7356 177.1861 1010 E 3.9935 8.8299 120.5554 59.4688 29.5092 179.5958 1011 Q 3.9103 7.9291 118.6515 58.6193 28.9620 177.6022 1012 L 3.8835 7.9458 120.9161 58.4191 41.9744 179.0268 1013 L 3.8778 7.8558 118.2672 57.7961 41.3743 179.3102 1014 A 4.0019 8.0317 119.8248 54.8765 18.6363 178.7574 1015 E 4.1537 8.2552 117.6139 58.7041 29.8122 177.9252 1016 K 4.1972 7.8597 115.3475 55.6431 33.5772 176.5987 1017 Q 3.4174 7.2372 118.4168 56.9545 27.3676 172.3584 1018 L 4.6370 7.9194 117.1636 52.2063 44.9244 175.8766 1019 N 4.2073 9.4092 120.8576 54.6684 38.4459 177.2341 1020 L 3.6036 7.6060 123.9540 58.0369 42.9566 178.3104 1021 S 4.7316 7.5470 110.5356 56.3040 62.8633 173.9584 1022 A 4.7993 8.5660 118.3139 52.9230 22.4413 176.4785 1023 M 4.5628 7.9889 114.9037 54.3886 33.0927 173.9492 1024 P 5.3267 0.0000 0.0000 60.7575 33.5765 175.6972 1025 V 4.0659 8.0372 120.2948 63.2486 31.4280 175.9376 1026 L 4.3929 8.6317 128.4801 54.7382 42.5845 177.2058 1027 T 4.7044 8.2183 110.3938 60.1328 72.2174 175.6599 1028 A 4.0766 8.5797 122.4257 54.7548 18.4036 177.6880 1029 P 4.2168 0.0000 0.0000 66.1944 31.2988 178.6598 1030 Q 3.9990 7.7198 115.0074 59.0779 28.5839 179.0540 1031 L 3.8568 7.8729 119.6132 57.5257 41.5222 179.6447 1032 I 3.8968 7.8705 119.9246 64.2829 37.0074 178.2950 1033 G 3.8519 7.8438 106.1855 48.0743 0.0000 175.6325 1034 L 3.8457 7.1894 119.9559 57.8205 41.8614 179.0889 1035 Y 4.2210 7.9135 115.1954 60.4168 37.7655 177.8913 1036 I 4.0961 7.8166 119.3980 60.9839 38.6424 176.0005 1037 C 3.8623 7.5976 117.8559 60.1911 28.4598 174.8540 1038 E 4.0430 8.7890 124.5424 59.0100 29.5302 177.7615 1039 E 4.0273 8.1412 117.3092 58.9096 29.6152 177.0034 1040 N 4.6075 7.6789 117.8032 52.2470 37.5152 174.6822 1041 R 4.0653 8.2904 122.3699 59.1679 30.5933 179.4313 1042 R 4.3032 7.9358 110.9007 56.6893 29.6261 176.5946 1043 A 4.4040 7.9743 122.9349 52.5441 19.0107 177.4250 1044 N 5.1642 9.7591 120.5494 50.9218 40.3859 174.1936 1045 E 3.9583 8.8704 115.7796 60.4580 29.4080 178.6031 1046 Y 4.3051 7.5829 115.9438 61.3221 37.9693 178.5227 1047 D 3.9812 7.9867 118.4203 57.4210 40.9523 178.9637 1048 F 4.0600 7.8840 117.8593 60.2918 38.8434 177.1447 1049 K 3.7575 8.9674 120.3339 59.6964 31.8509 178.3734 1050 K 3.9199 8.7337 119.6286 58.9389 31.8361 178.8226 1051 A 4.0278 7.4956 118.9809 55.2049 18.4577 179.4945 1052 L 4.0841 7.9619 117.2320 58.2345 41.5741 179.4496 1053 D 4.4315 8.1157 118.6442 57.3869 40.7021 178.8860 1054 L 4.4038 7.8106 118.7458 57.1369 41.6335 179.2298 1055 L 4.0310 8.0522 119.8541 57.8448 41.3949 178.8939 1056 E 4.0493 7.8858 117.4905 58.2315 29.4522 177.1479 1057 Y 4.6095 7.4737 115.5716 58.1657 38.6945 176.3612 1058 I 3.8645 7.6059 122.6460 62.4558 38.6722 175.0137 1059 D 4.1117 8.2310 118.1773 56.0221 38.4288 170.3957 1060 E 3.2939 8.0416 115.6962 56.3251 28.2280 174.8723 *1065 N 4.4391 8.3732 120.1650 53.4888 40.2627 174.7066 1066 I 3.9954 8.2076 129.2353 64.4378 37.4096 178.0682 1067 N 4.4081 8.1473 117.3849 56.1120 38.2650 177.0208 1068 D 4.3218 8.1033 119.9361 57.4164 40.9591 178.3313 1069 L 3.9447 7.3545 119.4039 58.1288 41.5257 179.4238 1070 K 3.7550 8.0290 119.0913 59.9330 31.9141 178.4051 1071 L 4.0798 7.9260 118.9439 57.5982 41.6162 178.7645 1072 E 3.9756 8.6510 119.0336 59.9221 29.3284 179.9553 1073 I 3.9056 8.3277 111.8594 63.7452 37.9761 178.1225 1074 L 4.0178 7.5966 120.7305 57.8323 41.4287 178.8853 1075 C 4.0271 8.5369 116.9791 62.9407 27.8120 176.1574 1076 K 4.1820 7.8989 118.5035 58.1488 31.6916 178.9465 1077 A 2.8197 7.4271 121.7846 54.1605 18.3102 179.5644 1078 L 3.5020 7.3919 117.5084 57.5903 41.4645 179.4190 1079 Q 3.9869 7.8378 116.8050 59.1862 28.7824 178.8541 1080 R 4.0868 7.2743 117.4498 58.7048 29.9996 178.0770 1081 D 4.4635 7.5298 117.3002 54.0301 40.8574 176.3585 1082 N 4.6845 7.6563 115.4935 57.3660 36.9280 174.2609 1083 W 4.9267 7.4610 114.8747 55.2353 29.8270 174.7470 *1095 V 4.1795 8.9254 122.7599 62.8625 31.8292 177.2856 1096 S 4.6632 9.2511 117.1995 61.3208 64.2292 176.6549 1097 K 3.8457 7.2669 127.1786 59.1357 31.2650 180.4913 1098 D 4.8185 8.1028 118.5936 57.8198 41.0259 178.9161 1099 S 4.2071 8.0255 114.9175 61.3890 62.5382 176.4601 1100 I 3.7021 8.1752 117.0208 63.5569 37.1254 178.3364 1101 F 4.0910 7.8707 118.4366 60.2991 38.6730 177.9907 1102 V 3.8634 7.9158 119.2328 66.3166 31.3040 178.5788 1103 K 4.2270 7.7931 122.9360 59.4692 31.7305 182.8725 1104 I 4.2795 7.6834 112.5093 62.7423 38.1522 175.9468 1105 L 3.7340 7.0643 120.3979 54.5049 40.5160 176.4647 *1119 L 4.3515 8.2198 123.5970 53.8518 43.7613 177.4258 1120 P 4.3515 0.0000 0.0000 63.5284 30.9411 176.7604 1121 E 4.1667 8.0966 118.7447 58.4433 30.1053 177.6855 1122 V 3.8028 7.8140 120.1618 63.1470 32.2862 175.3692 1123 K 4.7172 8.3184 124.7136 52.8080 34.3403 175.1616 1124 D 4.7035 8.0613 116.3300 55.5048 43.4212 178.0912 1125 L 4.1384 8.7286 123.4015 60.5919 41.3173 181.9772 1126 L 5.3405 7.8262 122.6476 58.7838 40.9411 180.2220 1127 Q 4.2740 8.2118 118.8257 59.4872 28.8962 178.5461 1128 A 4.2003 7.9918 119.9736 56.2914 18.3414 179.9680 1129 D 4.0428 7.5645 118.8937 55.8810 39.4750 176.2027 *1140 F 4.5062 8.2547 117.0980 57.0546 37.6267 175.9435 1141 E 4.3048 8.8411 127.1396 59.7993 29.1874 175.6145 *1142 F 4.2088 7.8950 120.8298 63.1250 38.1096 182.9224 1143 V 3.9288 7.7358 120.7473 65.2690 31.3798 178.3022 1144 L 4.1521 8.1618 124.5929 60.4049 40.7367 184.1246 1145 K 4.2951 7.7806 123.4429 59.1614 31.5792 180.7894 1146 A 4.1444 7.4813 120.1584 55.4999 18.3052 179.6170 1147 N 4.3551 8.6333 117.7072 57.0134 38.4552 177.4238 *1148 Y 4.2255 8.1759 121.2007 60.4751 36.9482 179.0276 1149 E 4.7410 7.8245 121.5664 61.7243 31.4327 183.3618 *1150 Y 4.3264 8.0247 124.1358 62.0842 36.6933 180.5949 *1151 Y 4.1117 8.3733 120.9323 62.4029 37.0454 182.4153 1152 V 3.9429 7.9977 122.4780 67.1342 31.2498 178.7428 1153 Q 4.1873 7.8577 118.7372 59.6598 27.9280 180.8231 1154 G 3.9138 7.4247 104.9517 48.4510 0.0000 175.9046 1155 Q 4.1819 8.7275 121.1881 57.8252 28.7749 177.1919 1156 I 4.1111 7.7198 117.9797 61.2017 38.0797 175.5072 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 935 L 8.04 4.55 0.00 1.71 1.77 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 936 S 7.94 4.06 0.00 4.02 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 0.00 937 W 9.14 4.52 0.00 3.67 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 0.00 938 L 5.87 3.06 0.00 1.28 1.31 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 939 H 7.73 4.19 0.00 3.11 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 940 E 8.78 4.14 0.00 2.22 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 0.00 2.41 2.60 0.00 941 I 7.57 3.76 2.01 0.00 0.00 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 1.54 0.97 0.94 0.00 0.00 942 N 7.45 4.53 0.00 2.67 2.75 0.00 0.00 7.32 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 0.00 943 S 7.67 4.40 0.00 3.84 3.80 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 0.00 0.00 0.00 0.00 944 Q 8.04 3.62 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.29 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 945 E 7.80 4.31 0.00 2.16 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 2.29 2.47 0.00 946 L 7.75 4.30 0.00 1.60 1.69 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 947 E 7.89 3.70 0.00 1.86 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 1.47 1.47 0.00 948 K 7.96 4.17 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 949 A 8.15 4.97 1.57 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 0.00 0.00 950 H 8.63 4.13 0.00 3.46 3.76 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 951 A 7.78 3.97 1.46 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 0.00 0.00 952 T 8.10 3.84 4.38 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 1.34 0.00 0.00 953 L 8.00 3.63 0.00 1.82 1.56 0.70 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 954 L 7.89 3.98 0.00 1.45 1.76 0.93 1.27 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 0.00 955 G 7.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 956 L 8.05 3.94 0.00 1.69 1.68 0.89 1.08 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 0.00 957 A 7.93 3.92 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 0.00 958 N 7.83 4.46 0.00 2.85 2.87 0.00 0.00 7.09 7.69 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 0.00 959 M 7.49 4.29 0.00 1.94 2.11 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 2.62 2.92 0.00 960 E 7.21 4.18 0.00 2.10 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 0.00 2.41 2.41 0.00 961 T 8.21 4.71 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 1.25 0.00 0.00 962 R 8.21 3.72 0.00 1.76 1.93 0.00 2.80 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 963 Y 8.14 5.25 0.00 3.11 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 0.00 964 F 9.24 4.14 0.00 3.13 3.10 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 0.00 965 A 8.29 4.05 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 0.00 966 K 8.00 3.82 0.00 1.88 2.08 0.00 1.79 0.00 0.00 2.07 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.47 7.81 967 K 8.04 3.73 0.00 1.90 1.72 0.00 1.90 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.64 7.81 968 K 7.89 3.57 0.00 1.72 1.67 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.01 0.24 7.81 969 T 7.75 3.75 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 1.14 0.00 0.00 970 L 7.85 3.60 0.00 1.67 1.51 0.81 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 971 L 8.00 3.94 0.00 1.76 1.71 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 972 G 8.26 3.57 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 0.00 0.00 0.00 973 L 8.54 3.93 0.00 1.60 1.51 0.56 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 974 S 8.40 4.05 0.00 3.82 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 0.00 975 K 8.29 4.04 0.00 1.93 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 976 L 8.17 3.98 0.00 1.90 1.72 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 977 A 7.85 4.00 1.51 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 0.00 0.00 978 A 8.10 4.31 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 0.00 979 L 7.94 4.00 0.00 1.91 1.77 0.94 0.66 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 0.00 980 A 8.04 4.48 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 0.00 981 S 7.72 4.63 0.00 3.83 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 0.00 982 D 7.60 4.94 0.00 2.50 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 0.00 983 F 7.93 4.56 0.00 3.05 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 0.00 984 S 8.64 4.30 0.00 3.91 3.78 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 0.00 985 E 8.90 3.55 0.00 2.09 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 0.00 2.39 2.43 0.00 986 D 7.66 4.45 0.00 2.80 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 0.00 987 M 8.07 3.86 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 988 L 8.88 3.89 0.00 1.79 1.78 0.99 0.82 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 0.00 989 Q 7.85 3.96 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 990 E 8.21 4.08 0.00 2.01 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 2.19 2.28 0.00 991 K 7.92 4.17 0.00 1.76 1.70 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.95 1.21 7.81 992 I 7.64 3.81 1.87 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 1.52 1.35 1.02 0.00 0.00 993 E 7.39 3.94 0.00 2.37 2.13 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 2.31 2.36 0.00 994 E 7.91 4.18 0.00 2.22 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 2.48 2.51 0.00 995 M 8.02 4.22 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 996 A 7.83 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 997 E 7.53 4.04 0.00 2.00 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 0.00 2.35 2.44 0.00 998 Q 7.99 4.20 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 999 E 8.59 3.94 0.00 2.29 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 0.00 2.31 2.32 0.00 1000 R 7.56 3.76 0.00 2.17 2.27 0.00 3.52 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 1001 F 8.29 4.11 0.00 2.89 3.12 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 0.00 0.00 0.00 1002 L 7.87 4.37 0.00 1.82 1.92 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 1003 L 7.42 4.02 0.00 1.89 1.46 0.88 1.07 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 1004 H 7.45 4.09 0.00 2.92 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1005 Q 7.68 3.78 0.00 1.71 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 1.55 1.96 0.00 1006 E 7.85 3.97 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 1007 T 7.49 4.56 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 1008 L 7.02 3.94 0.00 1.44 1.44 0.60 -0.02 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 1009 P 0.00 4.18 0.00 2.11 2.11 0.00 3.49 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 1010 E 8.83 3.99 0.00 2.17 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 2.35 2.39 0.00 1011 Q 7.93 3.91 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 1012 L 7.95 3.88 0.00 1.68 1.79 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 1013 L 7.86 3.88 0.00 1.99 1.65 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1014 A 8.03 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1015 E 8.26 4.15 0.00 2.20 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F 7.88 4.06 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1049 K 8.97 3.76 0.00 1.99 2.03 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 1050 K 8.73 3.92 0.00 1.44 1.14 0.00 1.13 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.32 1.16 7.81 1051 A 7.50 4.03 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 1052 L 7.96 4.08 0.00 2.05 1.71 0.91 0.91 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 1053 D 8.12 4.43 0.00 2.84 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 1054 L 7.81 4.40 0.00 1.93 1.79 1.01 0.60 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 1055 L 8.05 4.03 0.00 1.83 1.73 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 1056 E 7.89 4.05 0.00 1.76 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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 0.00 0.00 1069 L 7.35 3.94 0.00 1.95 1.76 0.95 0.85 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 1070 K 8.03 3.76 0.00 2.00 2.03 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.50 7.81 1071 L 7.93 4.08 0.00 1.97 1.69 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 1072 E 8.65 3.98 0.00 2.11 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 2.36 2.37 0.00 1073 I 8.33 3.91 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.57 1.00 0.00 0.00 1074 L 7.60 4.02 0.00 1.92 1.73 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 1075 C 8.54 4.03 0.00 2.90 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 1076 K 7.90 4.18 0.00 1.91 2.02 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.69 7.81 1077 A 7.43 2.82 0.48 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 1078 L 7.39 3.50 0.00 1.59 1.41 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 1079 Q 7.84 3.99 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 1080 R 7.27 4.09 0.00 1.61 2.03 0.00 3.40 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 1081 D 7.53 4.46 0.00 2.52 2.34 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 1082 N 7.66 4.68 0.00 2.89 2.94 0.00 0.00 7.03 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 1083 W 7.46 4.93 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1095 V 8.93 4.18 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 1.04 0.00 0.00 1.16 0.00 0.00 1096 S 9.25 4.66 0.00 3.95 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 0.00 1097 K 7.27 3.85 0.00 1.79 1.87 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.36 7.81 1098 D 8.10 4.82 0.00 3.11 2.86 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 1099 S 8.03 4.21 0.00 4.00 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 1100 I 8.18 3.70 1.68 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 1.59 0.21 0.87 0.00 0.00 1101 F 7.87 4.09 0.00 3.40 3.13 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 1102 V 7.92 3.86 2.13 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 0.82 0.00 0.00 1.03 0.00 0.00 1103 K 7.79 4.23 0.00 1.93 1.70 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.31 7.81 1104 I 7.68 4.28 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.03 0.83 0.00 0.00 1105 L 7.06 3.73 0.00 1.76 1.71 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 *1119 L 8.22 4.35 0.00 1.77 2.00 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 1120 P 0.00 4.35 0.00 2.05 2.10 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 1121 E 8.10 4.17 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 1122 V 7.81 3.80 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 0.96 0.00 0.00 1.08 0.00 0.00 1123 K 8.32 4.72 0.00 1.79 1.54 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.96 7.81 1124 D 8.06 4.70 0.00 2.62 2.41 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 1125 L 8.73 4.14 0.00 1.69 1.69 0.92 0.50 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 1126 L 7.83 5.34 0.00 1.74 1.62 0.92 0.84 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 1127 Q 8.21 4.27 0.00 2.06 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 1128 A 7.99 4.20 1.31 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 0.00 0.00 0.00 1129 D 7.56 4.04 0.00 2.98 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 *1140 F 8.25 4.51 0.00 2.58 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 1141 E 8.84 4.30 0.00 2.00 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 2.31 1.94 0.00 *1142 F 7.90 4.21 0.00 2.32 2.32 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 1143 V 7.74 3.93 1.72 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 0.34 0.00 0.00 0.56 0.00 0.00 1144 L 8.16 4.15 0.00 1.69 1.68 0.92 0.89 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 1145 K 7.78 4.30 0.00 1.79 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.33 7.81 1146 A 7.48 4.14 1.31 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 0.00 0.00 0.00 1147 N 8.63 4.36 0.00 2.80 2.76 0.00 0.00 7.20 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 *1148 Y 8.18 4.23 0.00 2.37 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 1149 E 7.82 4.74 0.00 1.96 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 2.14 2.15 0.00 *1150 Y 8.02 4.33 0.00 2.32 2.34 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 *1151 Y 8.37 4.11 0.00 2.26 2.32 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 1152 V 8.00 3.94 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 0.95 0.00 0.00 0.98 0.00 0.00 1153 Q 7.86 4.19 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 1154 G 7.42 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 0.00 0.00 0.00 1155 Q 8.73 4.18 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 1156 I 7.72 4.11 1.87 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 1.59 0.54 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.