NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 4.4828 8.3044 120.3349 54.7305 33.4143 174.8485 1002 F 3.9696 8.8868 126.0845 57.4923 39.7969 172.7103 1003 N 4.5620 7.9405 125.9275 51.6867 41.0424 172.2130 1004 K 4.6383 8.0228 125.8743 54.3367 35.4678 175.2465 1005 V 4.5015 8.8124 126.4910 61.1757 34.9391 174.4095 1006 I 5.0445 8.3265 127.0067 60.1954 40.4490 174.3515 1007 M 4.8630 9.1749 126.6404 53.4108 36.3432 174.5897 1008 V 4.6772 8.3490 122.1878 61.5435 33.8328 174.8255 1009 G 4.3014 8.6329 113.5605 45.7028 0.0000 171.4392 1010 R 5.9190 8.4243 115.2258 53.0020 32.7439 175.3810 1011 L 4.7692 8.5395 121.4258 55.6140 42.1557 177.7024 1012 T 4.4582 9.1048 113.2384 62.5888 70.6532 174.2868 1013 R 4.4929 7.4887 117.6699 54.8054 32.4368 173.6895 1014 N 4.7351 8.3828 115.7800 52.7732 39.1156 175.6464 1015 V 3.8339 8.1939 121.7485 61.7599 32.5191 175.4246 1016 E 4.4341 8.4011 122.9332 54.7871 30.7527 174.1961 1017 L 4.7294 8.3178 127.7021 53.7993 43.4542 175.4770 1018 K 4.8509 8.9323 124.3853 55.6144 36.8102 174.2606 1019 Y 5.0934 8.5915 117.1986 56.2266 40.4729 176.0445 1020 L 4.5192 9.0752 122.9736 53.0333 43.1036 176.1361 1021 P 4.1636 0.0000 0.0000 65.9362 31.3090 178.2189 1022 S 4.2014 7.9742 111.2004 59.3686 63.2444 174.5166 1023 G 4.2121 8.6614 109.4592 45.6837 0.0000 174.6021 1024 S 4.4406 8.0510 115.8717 58.4380 64.0488 174.1813 1025 A 4.0844 8.5600 125.1264 51.9558 19.7235 176.1003 1026 A 5.1224 8.5576 120.3063 50.8754 23.2625 175.2017 1027 A 5.0702 8.1847 119.9151 51.5953 23.0438 175.5479 1028 T 5.0613 8.3506 115.6684 61.6073 72.5791 173.0886 1029 I 4.6907 8.5918 119.1175 58.9822 41.1556 174.4319 1030 G 4.4724 8.4525 110.9600 43.8113 0.0000 172.4647 1031 L 5.4852 9.1801 125.1958 52.9024 45.5364 175.4206 1032 A 4.9766 8.6673 122.3542 50.5786 22.2590 175.1402 1033 T 4.9586 8.8042 119.6521 61.6612 71.8549 173.3758 1034 S 5.2295 8.7248 120.4897 56.4792 65.8275 173.3008 1035 R 4.7492 8.9076 121.8514 54.7478 33.1300 174.3599 1036 R 5.4586 8.7102 123.3088 54.1425 32.4978 175.2305 1037 F 4.9298 7.9828 116.2627 56.4416 40.9886 173.7334 1038 K 4.3391 8.8810 127.3903 55.4465 32.5986 177.5029 1039 K 4.3706 9.9970 126.8060 52.8133 32.5171 175.6881 1040 Q 4.0108 8.7863 122.9272 58.2858 28.5452 177.3291 1041 D 4.4878 7.4013 117.4234 54.2287 41.2946 176.0834 1042 G 4.3816 7.3221 115.6818 45.8237 0.0000 173.3419 1043 T 3.9651 7.2198 117.7871 63.2066 69.1703 172.8216 1044 L 4.3815 8.2410 126.5409 53.3300 43.9136 175.7012 1045 G 4.0310 8.6403 114.2143 44.9710 0.0000 171.1570 1046 E 5.9673 8.2757 115.1171 56.1730 32.3331 174.4817 1047 E 4.8552 9.0210 120.7608 54.5780 33.3760 174.7500 1048 V 4.4585 8.3323 123.0176 61.1491 33.9521 173.9446 1049 C 4.4212 9.1263 129.3255 58.1334 32.8534 171.9926 1050 F 5.2951 8.3935 125.0216 56.1184 40.7025 175.0837 1051 I 4.4117 8.4721 120.5988 60.3477 41.8522 172.6983 1052 D 5.3961 8.6918 127.6319 53.1871 43.2011 175.0412 1053 A 5.0362 8.7800 123.4576 50.3635 22.2842 175.2583 1054 R 4.6300 9.3513 122.2691 54.9508 32.0915 175.7131 1055 L 4.8868 8.3255 122.9427 52.9725 45.4215 175.5402 1056 F 5.1434 8.1575 118.6813 56.4010 43.2763 176.7473 1057 G 3.6688 9.0674 109.1246 46.3764 0.0000 176.1037 1058 R 3.9378 8.7155 118.2980 59.9782 29.9322 178.8355 1059 T 3.8975 7.9545 114.7530 66.4688 68.4930 176.1913 1060 A 3.9443 7.8465 122.1588 55.3035 18.3881 179.6303 1061 E 3.9181 8.0654 116.5681 59.4303 29.6416 179.2626 1062 I 3.9341 8.3102 120.1699 64.4993 37.2390 178.2616 1063 A 4.1116 8.2188 121.4437 55.3537 18.0377 179.2740 1064 N 4.2491 7.9559 114.3207 56.6093 39.0274 176.4667 1065 Q 3.9128 8.0939 120.4034 57.9903 29.2957 176.3760 1066 Y 4.3733 7.7016 114.6255 56.5895 39.4229 175.4605 1067 L 4.7300 7.3404 119.7709 52.7791 44.6667 175.5056 1068 S 4.6271 8.5300 115.1210 55.8896 66.4054 173.0789 1069 K 4.0286 7.5317 121.0422 57.6176 31.9403 176.9004 1070 G 4.0322 8.9072 114.4883 45.3359 0.0000 174.0000 1071 S 4.4404 8.1307 116.9073 58.8713 64.2264 173.2446 1072 S 5.2068 9.1902 118.8706 57.2751 64.1398 173.2082 1073 V 4.9881 8.6878 124.5354 60.6784 35.2347 172.1122 1074 L 5.0219 9.1068 125.5110 53.7101 43.8116 174.7426 1075 I 4.8996 9.0943 127.0282 59.1712 40.9492 173.5916 1076 E 4.9461 8.5297 129.3064 54.3496 32.1923 173.3090 1077 G 4.6491 8.6147 116.2535 46.5624 0.0000 172.4336 1078 R 5.0746 8.8100 120.4928 54.1170 33.5405 174.8829 1079 L 4.6778 9.0917 120.6274 54.6057 42.7099 176.6733 1080 T 4.7311 9.4714 119.7926 61.8638 72.2885 172.3965 1081 Y 5.1110 8.7802 126.6339 56.1858 40.3631 174.3053 1082 E 4.5664 9.5774 128.3947 55.1246 31.7287 175.5905 1083 S 4.8676 8.4628 118.1426 56.5064 65.3455 172.6228 1084 W 4.9909 8.9581 123.3793 56.0999 32.0931 172.5462 1085 M 4.8394 8.6696 120.4898 53.7662 32.9537 175.4955 1086 D 4.9562 8.7958 126.2876 52.7612 40.5558 177.1135 1087 Q 4.2305 8.6537 117.3200 57.9884 28.5745 177.5885 1088 T 4.1705 7.9591 114.0628 63.8468 69.2615 175.7121 1089 G 3.9853 8.7872 109.4980 44.6577 0.0000 172.6433 1090 K 4.4179 8.7824 122.1888 54.2917 33.8098 176.1037 1091 K 4.2285 8.5464 126.9067 56.9736 32.7133 175.7241 1092 N 4.7643 8.6440 122.4640 51.8450 42.6499 173.0117 1093 S 4.9125 7.8873 117.0242 57.2264 66.5878 172.7246 1094 R 4.7442 9.1039 119.7023 55.7193 33.9428 173.0516 1095 H 5.9569 8.9448 121.8013 54.4582 30.8837 173.5601 1096 T 4.8423 9.1572 113.0038 60.1806 73.1917 172.2910 1097 I 4.8236 8.5327 121.8862 59.9361 39.8713 175.2883 1098 T 4.8639 8.7241 123.7629 61.9857 69.8841 173.7803 1099 A 4.6381 8.6731 129.8007 51.8326 19.1460 176.7800 1100 D 4.7712 9.4731 122.4147 56.1619 42.8497 176.6080 1101 S 4.9307 7.6822 110.6556 57.1229 66.7683 173.1739 1102 L 5.1633 8.1897 119.2658 53.0130 45.5190 175.9938 1103 Q 4.2403 9.1152 124.8325 53.9069 30.9948 174.5802 1104 F 4.8891 8.2436 125.9943 57.8105 39.6844 175.3278 1105 M 4.8498 8.6806 122.6057 55.5120 32.8420 176.8341 1106 D 4.4403 8.5513 121.2879 56.6600 41.5129 177.4353 1107 K 3.9199 8.1877 122.8082 56.8420 32.4401 176.4249 1108 K 4.3389 8.5697 129.9816 53.4151 33.9878 173.3606 *1109 S 4.3436 8.6320 120.1206 57.4015 62.9091 170.3373 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 1001 M 8.30 4.48 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 1002 F 8.89 3.97 0.00 3.02 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 1003 N 7.94 4.56 0.00 2.56 2.52 0.00 0.00 6.86 6.68 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 1004 K 8.02 4.64 0.00 1.09 1.22 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.65 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 1005 V 8.81 4.50 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 0.92 0.00 0.00 0.91 0.00 0.00 1006 I 8.33 5.04 1.88 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 1.35 0.78 0.91 0.00 0.00 1007 M 9.17 4.86 0.00 1.90 1.88 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 2.50 2.44 0.00 1008 V 8.35 4.68 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 0.79 0.00 0.00 0.94 0.00 0.00 1009 G 8.63 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1010 R 8.42 5.92 0.00 1.95 2.03 0.00 3.06 0.00 0.00 3.28 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 1011 L 8.54 4.77 0.00 1.64 1.79 0.92 0.66 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 1012 T 9.10 4.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1013 R 7.49 4.49 0.00 1.95 2.03 0.00 2.94 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 1014 N 8.38 4.74 0.00 2.72 2.77 0.00 0.00 6.90 7.68 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 1015 V 8.19 3.83 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 0.76 0.00 0.00 0.89 0.00 0.00 1016 E 8.40 4.43 0.00 1.94 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 0.00 2.32 2.18 0.00 1017 L 8.32 4.73 0.00 1.63 1.57 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 1018 K 8.93 4.85 0.00 1.82 1.83 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.40 7.81 1019 Y 8.59 5.09 0.00 2.82 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 1020 L 9.08 4.52 0.00 1.91 1.61 0.97 1.13 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 1021 P 0.00 4.16 0.00 2.04 2.16 0.00 3.70 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 2.12 0.00 1022 S 7.97 4.20 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1023 G 8.66 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 0.00 0.00 0.00 0.00 1024 S 8.05 4.44 0.00 3.84 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 1025 A 8.56 4.08 0.92 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 0.00 0.00 1026 A 8.56 5.12 1.23 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 0.00 0.00 1027 A 8.18 5.07 1.10 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 0.00 0.00 1028 T 8.35 5.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1029 I 8.59 4.69 1.87 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 1.27 0.71 0.89 0.00 0.00 1030 G 8.45 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 0.00 0.00 0.00 1031 L 9.18 5.49 0.00 1.72 1.57 0.95 0.71 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 1032 A 8.67 4.98 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 1033 T 8.80 4.96 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1034 S 8.72 5.23 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1035 R 8.91 4.75 0.00 1.86 1.79 0.00 3.02 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 1036 R 8.71 5.46 0.00 1.71 1.81 0.00 3.40 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 1037 F 7.98 4.93 0.00 3.06 3.06 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 0.00 0.00 0.00 1038 K 8.88 4.34 0.00 1.57 1.64 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.01 7.81 1039 K 10.00 4.37 0.00 1.68 1.70 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.24 7.81 1040 Q 8.79 4.01 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 1041 D 7.40 4.49 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 G 7.32 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 0.00 0.00 0.00 0.00 1043 T 7.22 3.97 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 1.15 0.00 0.00 1044 L 8.24 4.38 0.00 1.50 1.43 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 1045 G 8.64 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1046 E 8.28 5.97 0.00 2.08 1.87 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 2.21 2.23 0.00 1047 E 9.02 4.86 0.00 1.89 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 2.22 2.22 0.00 1048 V 8.33 4.46 1.80 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 -0.10 0.00 0.00 0.88 0.00 0.00 1049 C 9.13 4.42 0.00 2.92 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 1050 F 8.39 5.30 0.00 3.00 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 1051 I 8.47 4.41 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.14 0.93 0.00 0.00 1052 D 8.69 5.40 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1053 A 8.78 5.04 1.18 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 0.00 0.00 1054 R 9.35 4.63 0.00 1.50 1.29 0.00 3.06 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 1055 L 8.33 4.89 0.00 1.48 1.45 0.83 0.70 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 1056 F 8.16 5.14 0.00 2.89 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 1057 G 9.07 3.67 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 0.00 0.00 0.00 1058 R 8.72 3.94 0.00 1.96 1.99 0.00 3.28 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 1059 T 7.95 3.90 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 1.22 0.00 0.00 1060 A 7.85 3.94 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 1061 E 8.07 3.92 0.00 2.05 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 2.30 2.50 0.00 1062 I 8.31 3.93 2.15 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 1.66 0.87 1.28 0.00 0.00 1063 A 8.22 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.96 4.25 0.00 2.71 2.97 0.00 0.00 7.24 7.14 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 1065 Q 8.09 3.91 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.49 0.00 0.00 0.00 0.00 0.00 1.45 2.05 0.00 1066 Y 7.70 4.37 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 L 7.34 4.73 0.00 1.68 1.50 1.03 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1068 S 8.53 4.63 0.00 3.91 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 1069 K 7.53 4.03 0.00 1.86 1.78 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.39 7.81 1070 G 8.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1071 S 8.13 4.44 0.00 3.88 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 1072 S 9.19 5.21 0.00 3.91 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 1073 V 8.69 4.99 2.18 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 0.60 0.00 0.00 1.16 0.00 0.00 1074 L 9.11 5.02 0.00 1.70 1.56 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1075 I 9.09 4.90 1.88 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 1.26 1.79 0.98 0.00 0.00 1076 E 8.53 4.95 0.00 2.05 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 0.00 2.17 2.21 0.00 1077 G 8.61 4.65 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 0.00 0.00 0.00 1078 R 8.81 5.07 0.00 1.92 2.00 0.00 2.76 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 1079 L 9.09 4.68 0.00 1.67 1.67 0.91 0.71 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 1080 T 9.47 4.73 4.42 0.00 0.00 0.00 0.00 0.00 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 1081 Y 8.78 5.11 0.00 2.91 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 1082 E 9.58 4.57 0.00 1.89 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 2.26 2.25 0.00 1083 S 8.46 4.87 0.00 3.52 3.65 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 1084 W 8.96 4.99 0.00 3.36 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 1085 M 8.67 4.84 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 1086 D 8.80 4.96 0.00 3.01 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 1087 Q 8.65 4.23 0.00 2.10 2.23 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 2.42 2.45 0.00 1088 T 7.96 4.17 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 1.20 0.00 0.00 1089 G 8.79 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 0.00 0.00 0.00 1090 K 8.78 4.42 0.00 1.80 1.59 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.37 7.81 1091 K 8.55 4.23 0.00 1.54 1.61 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.44 7.81 1092 N 8.64 4.76 0.00 1.81 1.42 0.00 0.00 6.41 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1093 S 7.89 4.91 0.00 3.56 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.10 4.74 0.00 2.30 1.90 0.00 3.20 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 1095 H 8.94 5.96 0.00 3.16 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1096 T 9.16 4.84 4.37 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 1.28 0.00 0.00 1097 I 8.53 4.82 1.87 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 1.24 1.03 0.93 0.00 0.00 1098 T 8.72 4.86 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 1099 A 8.67 4.64 1.20 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 0.00 0.00 1100 D 9.47 4.77 0.00 2.66 2.71 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 1101 S 7.68 4.93 0.00 3.78 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 1102 L 8.19 5.16 0.00 1.42 1.65 1.06 0.86 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 1103 Q 9.12 4.24 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 1104 F 8.24 4.89 0.00 2.97 2.82 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 1105 M 8.68 4.85 0.00 1.90 2.06 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 2.78 2.51 0.00 1106 D 8.55 4.44 0.00 2.65 2.71 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 1107 K 8.19 3.92 0.00 1.74 1.77 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 1108 K 8.57 4.34 0.00 1.76 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *1109 S 8.63 4.34 0.00 3.59 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 * Residues marked with a * may have inaccurate shift predictions.