NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1003 N 4.7299 8.4249 118.2207 52.0456 39.5454 173.7591 1004 E 4.3877 8.0040 120.5013 55.4450 31.2131 174.0132 1005 K 4.9823 9.4983 125.3924 55.9964 34.3011 175.6781 1006 I 4.9167 8.8385 125.3698 59.3985 40.8619 173.9859 1007 L 5.0211 8.8949 129.9207 53.7670 43.9359 174.9305 1008 I 4.6973 9.0362 127.7989 59.7506 39.2123 174.8255 1009 V 4.9113 8.8353 127.7574 60.3715 33.1492 174.2277 1010 D 4.8025 8.3984 126.9927 52.9950 44.3624 175.8135 1011 D 4.5590 8.9494 124.6284 55.6675 39.6664 176.2852 1012 Q 4.2207 8.2544 121.8401 55.7631 29.7048 176.2772 1013 S 4.0926 8.8244 122.4289 61.5826 62.6295 175.8754 1014 G 3.8617 8.2386 107.8321 48.3682 0.0000 175.2713 1015 I 3.7869 7.4233 121.3055 64.0814 36.9886 178.7860 1016 R 3.9737 8.2380 119.2706 59.2475 29.9008 178.9588 1017 I 3.6855 7.7627 119.0754 64.5342 36.9374 177.5493 1018 L 3.8985 7.9321 119.6637 58.6566 42.1803 178.7337 1019 L 3.9631 8.1592 118.5052 57.6133 41.1325 179.2126 1020 N 4.4227 8.5204 117.4088 56.6900 38.8190 176.1440 1021 E 3.9347 8.1510 117.6303 57.4779 30.0021 177.9597 1022 V 3.8129 7.4212 117.9436 66.0981 32.0485 177.2397 1023 F 4.8443 7.3886 114.6647 58.9399 38.8567 176.4946 1024 N 4.5830 7.8164 116.9994 55.1814 38.5752 177.0659 1025 K 4.2280 7.9687 118.3899 57.9904 32.1526 177.9790 1026 E 4.5448 7.8983 117.3649 54.7668 30.2041 175.5138 1027 G 3.8546 7.7786 106.3748 46.9362 0.0000 173.6020 1028 Y 4.7316 7.8956 115.4481 56.1611 40.6819 176.4048 1029 Q 4.3554 9.1846 124.3060 55.2965 29.7507 174.3255 1030 T 4.8163 8.1288 117.2702 60.6598 70.4679 174.1994 1031 F 5.2180 9.1895 123.2557 55.8791 43.3688 173.9032 1032 Q 5.2294 8.7614 117.7627 54.9086 31.5314 173.6509 1033 A 4.9067 9.2025 123.0618 50.3861 21.8909 176.5811 1034 A 4.6093 8.9927 121.7973 52.0775 20.2720 176.4530 1035 N 5.0172 7.8098 112.6771 50.5826 41.5797 174.5378 1036 G 3.8301 8.7563 105.3365 48.6237 0.0000 175.3986 1037 L 3.9740 7.9489 120.0319 57.4410 42.0624 179.7743 1038 Q 4.0092 8.3297 117.2588 58.9147 28.5057 178.9227 1039 A 3.9415 8.1702 121.8415 55.2469 18.6953 179.4670 1040 L 3.8505 8.1733 117.3885 58.1064 41.5655 179.9288 1041 D 4.2623 8.0358 118.5689 57.5330 40.5965 178.6289 1042 I 3.4912 7.5194 119.7160 64.3282 36.9845 178.7987 1043 V 3.5292 7.9230 119.1578 66.3581 31.2240 177.7286 1044 T 3.8134 7.4107 113.5664 67.5708 68.4253 175.8266 1045 K 3.9013 8.3869 122.0671 58.8291 32.1346 178.0289 1046 E 3.8422 7.5972 123.2977 56.9372 31.2126 177.3678 1047 R 3.6907 7.6425 115.2346 56.4217 27.6778 173.7471 1048 P 4.5256 0.0000 0.0000 62.7045 32.7071 177.3571 1049 D 4.5564 9.0494 119.2518 56.5787 41.6478 176.2625 1050 L 5.0690 7.7147 119.6618 53.0706 45.7681 174.6232 1051 V 4.7213 8.6143 124.0916 61.1238 35.1157 174.0887 1052 L 4.9666 9.1775 128.4746 53.7953 42.9852 174.8103 1053 L 4.6023 8.2942 130.2597 54.0174 45.0196 175.6964 *1055 M 4.3434 8.6236 114.3798 55.4398 34.7639 175.6760 1056 K 4.5846 8.0972 119.0241 54.8967 31.2211 175.0633 1057 I 5.0729 7.9989 122.7868 57.1579 40.1696 174.1076 1058 P 4.2559 0.0000 0.0000 63.8779 31.4187 175.3046 1059 G 4.2826 9.0705 118.5612 45.0986 0.0000 173.0299 1060 M 4.5618 7.3813 122.7101 51.9694 34.6056 175.5628 1061 D 4.7767 8.5647 126.6430 52.3916 41.9904 177.0243 1062 G 3.8831 8.5359 107.6523 48.4663 0.0000 175.8995 1063 I 3.6833 7.7648 121.7561 63.9985 37.1272 178.0138 1064 E 3.9079 8.2714 119.6620 59.3722 29.5419 178.7256 1065 I 3.7942 7.9871 118.7117 63.6819 37.8905 177.5603 1066 L 4.0474 8.9065 122.7696 57.8007 41.6365 178.8650 1067 K 3.9430 7.9162 119.0007 59.5054 32.5547 178.7895 1068 R 4.0867 7.7863 117.9750 59.4135 29.9932 178.7870 1069 M 4.0766 8.5421 118.9161 58.3362 31.6532 178.9614 1070 K 3.9417 7.6062 118.1225 59.3621 32.2592 179.1306 1071 V 3.7250 7.3765 117.3659 66.1505 31.4661 177.9014 1072 I 4.0853 7.6447 118.2047 62.7173 37.8571 176.2016 1073 D 4.6948 8.3062 126.3878 51.7752 41.7864 175.6430 1074 E 4.0712 8.8065 126.3153 59.1239 29.6367 177.6387 1075 N 4.8203 8.1921 115.1024 53.1205 39.0896 174.8892 1076 I 3.8048 7.4375 119.4800 60.7320 38.5634 175.1529 1077 R 4.2865 8.1115 127.7194 55.5245 31.1599 175.5614 1078 V 4.6799 8.2443 124.2533 60.9415 34.8101 173.9820 1079 I 4.6883 8.8432 129.3818 59.5288 39.1682 175.0007 1080 I 4.8643 8.2274 121.3173 60.1937 39.6653 174.7490 1081 M 5.4380 8.7657 121.1163 54.4364 34.2789 174.2368 1082 T 4.4530 8.8259 114.6877 61.7769 71.8450 171.5074 1083 A 4.8314 8.5687 123.8634 50.7887 19.8915 177.1737 1084 Y 3.9184 8.6044 120.9879 59.2394 39.3495 176.3841 1085 G 3.8441 8.2531 112.5860 45.8813 0.0000 173.1627 1086 E 4.6863 7.5563 116.8597 54.1922 30.2713 177.1856 1087 L 3.8829 7.8101 120.5327 58.5562 41.8935 178.1474 1088 D 4.3522 8.0484 118.6008 57.3371 40.7701 178.1521 1089 M 4.0636 7.8786 118.2822 58.7784 31.8049 178.9125 1090 I 3.6196 7.8059 119.8023 64.2821 37.2097 178.3481 1091 Q 3.8938 7.8651 120.2142 59.0900 28.9911 177.5637 1092 E 4.1659 8.7865 122.3776 58.8342 29.6579 179.0414 1093 S 4.1554 8.6706 114.3472 61.0437 63.0098 176.4573 1094 K 3.9087 7.6222 123.1159 59.4813 31.6513 178.7588 1095 E 4.0375 8.1749 118.8127 59.0357 29.1533 178.6642 1096 L 4.3326 7.6834 117.2105 54.9548 42.1431 177.2440 1097 G 4.0845 7.7832 107.7080 45.7476 0.0000 173.5378 1098 A 4.5045 7.6069 122.3232 50.1195 20.0586 177.5050 1099 L 3.8615 7.7559 124.4812 58.0796 41.6951 178.1674 1100 T 4.4948 6.9366 111.6717 62.1696 70.4298 170.9593 1101 H 5.9040 7.9016 113.5561 55.2967 31.7532 172.9115 1102 F 4.9531 8.6996 117.0456 55.7876 42.8069 173.5798 1103 A 5.2065 9.0349 125.5965 51.0743 19.7364 177.0800 1104 K 4.2216 9.3705 123.5861 55.4935 33.1757 175.5041 1105 P 4.1837 0.0000 0.0000 61.2928 31.3674 175.9243 1106 F 4.6065 7.3845 118.5149 55.8382 39.3057 174.7884 1107 D 4.5745 8.6582 121.5265 53.7742 40.7721 177.4921 1108 I 3.7706 8.6336 125.4018 63.9577 38.1934 176.8327 1109 D 4.5170 7.8276 120.4246 57.0043 40.8383 178.2186 1110 E 4.5814 7.9830 119.0652 58.5990 29.4134 178.9675 1111 I 2.7421 7.2783 119.7202 63.7264 38.0229 177.5555 1112 R 4.2171 7.8136 118.9548 59.0302 29.8655 178.3080 1113 D 4.3678 7.9144 118.3246 57.2497 41.3455 178.2566 1114 A 4.2498 8.1315 121.0500 55.0921 18.3408 180.2180 1115 V 3.6520 7.7421 110.8680 64.5683 31.6099 178.8237 1116 K 4.1461 7.7515 116.4535 60.0373 31.9301 178.2838 1117 K 3.8751 9.1373 120.7695 58.7290 31.9702 177.4356 1118 Y 4.2757 7.7451 121.9030 58.6855 38.6243 176.1050 1119 L 4.7699 7.1976 122.2301 52.3886 44.5553 174.5857 1120 P 4.8084 0.0000 0.0000 62.1472 30.9253 176.2269 1121 L 4.3022 8.5033 129.0628 56.9887 40.3992 175.5125 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 1003 N 8.42 4.73 0.00 2.88 3.03 0.00 0.00 6.08 6.77 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 1004 E 8.00 4.39 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 2.66 2.50 0.00 1005 K 9.50 4.98 0.00 1.83 1.98 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.83 1.57 7.81 1006 I 8.84 4.92 1.63 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 0.70 0.50 0.47 0.00 0.00 1007 L 8.89 5.02 0.00 1.78 1.52 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 1008 I 9.04 4.70 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 1.02 0.00 0.00 1009 V 8.84 4.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.95 0.00 0.00 1010 D 8.40 4.80 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1011 D 8.95 4.56 0.00 2.88 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 1012 Q 8.25 4.22 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 1013 S 8.82 4.09 0.00 3.94 3.84 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 0.00 0.00 0.00 1014 G 8.24 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 0.00 0.00 0.00 1015 I 7.42 3.79 2.06 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 1.49 0.61 1.02 0.00 0.00 1016 R 8.24 3.97 0.00 2.03 2.16 0.00 3.18 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 1017 I 7.76 3.69 2.03 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 1.54 0.73 0.91 0.00 0.00 1018 L 7.93 3.90 0.00 1.65 1.93 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 1019 L 8.16 3.96 0.00 1.88 1.93 1.14 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 1020 N 8.52 4.42 0.00 3.03 2.99 0.00 0.00 6.80 8.12 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 1021 E 8.15 3.93 0.00 2.08 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 0.00 2.30 2.30 0.00 1022 V 7.42 3.81 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.82 0.00 0.00 1023 F 7.39 4.84 0.00 3.22 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 1024 N 7.82 4.58 0.00 2.69 2.86 0.00 0.00 6.96 7.13 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 1025 K 7.97 4.23 0.00 1.92 1.85 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 1026 E 7.90 4.54 0.00 2.16 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 1027 G 7.78 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 1028 Y 7.90 4.73 0.00 3.22 2.81 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 1029 Q 9.18 4.36 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 1030 T 8.13 4.82 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 1.37 0.00 0.00 1031 F 9.19 5.22 0.00 2.97 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 1032 Q 8.76 5.23 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 1033 A 9.20 4.91 1.24 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 0.00 0.00 1034 A 8.99 4.61 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 1035 N 7.81 5.02 0.00 2.95 2.89 0.00 0.00 6.10 6.92 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 1036 G 8.76 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 1037 L 7.95 3.97 0.00 1.85 1.75 0.92 0.79 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 1038 Q 8.33 4.01 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 1039 A 8.17 3.94 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 1040 L 8.17 3.85 0.00 1.82 1.75 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 1041 D 8.04 4.26 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 I 7.52 3.49 1.93 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 1.34 1.26 0.65 0.00 0.00 1043 V 7.92 3.53 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 0.99 0.00 0.00 0.89 0.00 0.00 1044 T 7.41 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 1.18 0.00 0.00 1045 K 8.39 3.90 0.00 1.68 1.56 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 1046 E 7.60 3.84 0.00 1.66 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 1.94 1.47 0.00 1047 R 7.64 3.69 0.00 1.85 1.88 0.00 3.31 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 1048 P 0.00 4.53 0.00 2.17 2.02 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 1049 D 9.05 4.56 0.00 2.80 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 1050 L 7.71 5.07 0.00 1.60 1.24 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 1051 V 8.61 4.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 1052 L 9.18 4.97 0.00 1.64 1.65 0.68 0.42 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 1053 L 8.29 4.60 0.00 1.75 1.55 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *1055 M 8.62 4.34 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 1056 K 8.10 4.58 0.00 1.75 1.79 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 1057 I 8.00 5.07 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.72 0.92 0.00 0.00 1058 P 0.00 4.26 0.00 2.18 2.06 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 1059 G 9.07 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 0.00 0.00 0.00 0.00 1060 M 7.38 4.56 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 1061 D 8.56 4.78 0.00 3.16 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 1062 G 8.54 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 1063 I 7.76 3.68 1.86 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 1.51 1.15 0.96 0.00 0.00 1064 E 8.27 3.91 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 1065 I 7.99 3.79 1.86 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 1.40 1.00 0.99 0.00 0.00 1066 L 8.91 4.05 0.00 1.74 1.85 0.90 0.27 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 1067 K 7.92 3.94 0.00 2.02 2.00 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.47 7.81 1068 R 7.79 4.09 0.00 2.03 1.94 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 1069 M 8.54 4.08 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 1070 K 7.61 3.94 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.67 1.57 7.81 1071 V 7.38 3.72 2.20 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 0.82 0.00 0.00 0.95 0.00 0.00 1072 I 7.64 4.09 2.02 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 1.50 0.79 0.88 0.00 0.00 1073 D 8.31 4.69 0.00 2.67 2.48 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 1074 E 8.81 4.07 0.00 1.98 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 2.31 2.35 0.00 1075 N 8.19 4.82 0.00 2.81 2.82 0.00 0.00 6.97 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1076 I 7.44 3.80 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.93 0.00 0.00 1077 R 8.11 4.29 0.00 1.83 1.80 0.00 3.27 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 1078 V 8.24 4.68 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 1.03 0.00 0.00 0.94 0.00 0.00 1079 I 8.84 4.69 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.49 1.02 0.00 0.00 1080 I 8.23 4.86 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 0.88 0.00 0.00 1081 M 8.77 5.44 0.00 2.16 2.44 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 2.67 2.76 0.00 1082 T 8.83 4.45 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 1.22 0.00 0.00 1083 A 8.57 4.83 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 1084 Y 8.60 3.92 0.00 2.99 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 1085 G 8.25 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 1086 E 7.56 4.69 0.00 2.14 1.75 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 2.23 2.31 0.00 1087 L 7.81 3.88 0.00 1.69 1.63 0.74 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 1088 D 8.05 4.35 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1089 M 7.88 4.06 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 1090 I 7.81 3.62 1.73 0.00 0.00 0.62 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 0.98 0.60 0.00 0.00 1091 Q 7.87 3.89 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 1092 E 8.79 4.17 0.00 2.13 1.91 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 2.29 2.31 0.00 1093 S 8.67 4.16 0.00 4.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1094 K 7.62 3.91 0.00 2.05 1.89 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.41 1.50 7.81 1095 E 8.17 4.04 0.00 2.18 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 2.31 2.55 0.00 1096 L 7.68 4.33 0.00 1.61 1.69 0.96 0.76 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 1097 G 7.78 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 1098 A 7.61 4.50 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 1099 L 7.76 3.86 0.00 1.08 0.60 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1100 T 6.94 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 0.89 0.00 0.00 1101 H 7.90 5.90 0.00 3.16 3.14 0.00 5.32 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1102 F 8.70 4.95 0.00 2.96 3.03 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 1103 A 9.03 5.21 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 1104 K 9.37 4.22 0.00 1.62 1.61 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.64 7.81 1105 P 0.00 4.18 0.00 2.05 1.96 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 1106 F 7.38 4.61 0.00 3.01 3.39 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 1107 D 8.66 4.57 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1108 I 8.63 3.77 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.90 0.00 0.00 1109 D 7.83 4.52 0.00 2.77 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 1110 E 7.98 4.58 0.00 2.29 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 2.51 2.15 0.00 1111 I 7.28 2.74 1.30 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.75 0.00 0.00 1112 R 7.81 4.22 0.00 1.90 2.13 0.00 3.34 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 1113 D 7.91 4.37 0.00 2.93 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 1114 A 8.13 4.25 1.83 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 1115 V 7.74 3.65 1.74 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 0.86 0.00 0.00 1.09 0.00 0.00 1116 K 7.75 4.15 0.00 2.04 1.96 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.72 1.74 7.81 1117 K 9.14 3.88 0.00 1.58 1.76 0.00 0.70 0.00 0.00 1.13 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.96 1.24 7.81 1118 Y 7.75 4.28 0.00 3.15 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 1119 L 7.20 4.77 0.00 1.82 1.61 0.90 0.83 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 1120 P 0.00 4.81 0.00 2.11 1.21 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 1121 L 8.50 4.30 0.00 1.70 1.58 0.93 0.48 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 * Residues marked with a * may have inaccurate shift predictions.