NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1021 S 4.4826 8.1933 115.4170 57.6290 64.6855 174.5004 1022 K 3.7615 8.6045 120.4740 59.4216 31.7963 178.2465 1023 R 3.9085 8.3665 119.7222 59.1255 30.4732 178.6053 1024 A 3.9844 7.7484 119.9482 55.3949 18.4096 179.5061 1025 D 4.5691 8.2974 117.2632 57.4526 40.8842 178.9185 1026 A 4.1447 8.5205 121.8914 54.8752 18.4052 179.9089 1027 G 3.5494 8.1033 104.3183 48.3026 0.0000 175.9154 1028 T 3.6995 7.8953 118.3739 66.1717 68.3359 176.3399 1029 A 3.9837 8.1131 122.5435 55.3710 18.4127 179.7610 1030 S 4.0293 8.1565 113.2492 61.8767 62.9475 176.9727 1031 A 4.0166 7.9242 123.1744 54.9320 17.8422 179.7053 1032 L 3.8890 8.0450 117.0976 57.7171 42.0894 179.2471 1033 A 4.1115 8.2361 120.6230 55.2636 18.3588 179.5468 1034 A 3.9874 8.0929 119.4899 55.2828 18.1951 179.9508 1035 S 4.1924 8.0531 111.7554 60.7248 63.0423 175.7018 1036 Q 4.6110 7.4661 119.0637 54.2380 29.0004 175.3338 1037 L 4.0816 7.2381 121.5016 53.9087 41.8629 175.5191 1038 P 4.3629 0.0000 0.0000 62.6210 31.9722 175.4397 1039 Q 4.5891 8.2309 121.7175 53.6277 31.1897 175.2190 1040 A 4.1713 8.4300 127.4291 52.9968 18.8224 177.6542 1041 T 4.5705 8.3556 108.0940 60.9759 70.5978 173.7519 1042 M 4.6552 7.6420 122.3700 52.4869 34.2729 173.4634 1043 P 4.2444 0.0000 0.0000 64.0826 31.9075 177.0477 1044 G 4.1358 8.4655 110.2432 45.4736 0.0000 173.2724 1045 K 4.6746 7.5995 119.1783 54.8030 34.7777 175.4969 1046 S 5.2953 8.5439 118.2530 57.0591 65.5871 173.1752 1047 M 4.7774 9.2246 122.7139 53.7520 35.2665 174.1167 1048 V 4.8237 8.4697 124.8342 61.2770 33.7314 174.5213 1049 A 4.8635 9.3713 128.2765 50.2753 22.9186 174.5662 1050 I 5.1086 8.3095 118.9470 59.3340 41.3925 174.3002 1051 A 4.7860 9.3849 129.5572 50.4869 22.8961 175.0348 1052 G 4.6197 8.5669 106.2839 44.8315 0.0000 171.4087 1053 S 4.9053 8.7464 113.2672 57.2137 66.9990 173.2608 1054 S 5.1700 8.4969 115.7349 57.0665 66.3474 173.4986 1055 Y 4.4834 9.4664 125.8833 57.3879 41.2186 174.6411 1056 Q 3.2008 9.3980 127.8950 56.9002 26.3505 175.0677 1057 G 3.9674 8.4174 105.3775 45.2783 0.0000 173.8646 1058 Q 4.6989 7.9285 118.8785 54.6118 31.3762 174.4572 1059 N 5.5178 9.2912 119.0615 51.5167 42.4165 173.8566 1060 G 4.5900 8.7198 108.1926 44.4007 0.0000 171.5817 1061 L 5.4377 9.0413 123.2931 53.0089 45.8621 175.0175 1062 A 5.3186 9.5454 127.3538 50.0367 22.7025 174.5798 1063 I 4.9279 8.8913 115.4132 59.0946 40.7349 174.9095 1064 G 4.4777 9.4189 111.6505 44.7499 0.0000 171.6340 1065 V 5.2369 9.0802 116.2448 59.3685 35.2836 174.9545 1066 S 5.2024 9.0519 117.5867 57.1650 67.1592 172.7010 1067 R 5.0684 8.7449 119.9680 55.2829 33.8619 173.4604 1068 I 5.0996 8.3858 126.5587 59.1111 39.9137 175.6276 1069 S 4.3827 9.0392 121.7341 58.4576 63.6964 175.3113 1070 D 4.3177 8.8825 120.7312 57.2114 40.7355 177.8859 1071 N 4.5539 8.1459 113.9780 52.7343 37.8497 175.9999 1072 G 3.9154 8.2588 107.7069 45.7624 0.0000 174.3900 1073 K 4.1790 8.2988 119.5473 56.5568 33.9071 176.7911 1074 V 4.9072 8.0251 120.4952 61.0400 33.9028 174.7605 1075 I 5.1999 8.7501 128.3719 59.3858 40.5454 174.4603 1076 I 5.0748 8.6659 119.7240 59.1824 40.8458 174.6649 1077 R 5.1254 9.0222 122.7923 54.4888 34.3137 174.0411 1078 L 5.3206 9.1979 125.1213 53.4483 45.9227 175.1459 1079 S 5.1102 9.4809 119.7826 56.7652 67.0120 172.8772 1080 G 4.6665 9.1248 108.9973 44.6828 0.0000 172.0048 1081 T 5.3006 9.2004 113.3758 60.1377 72.6836 172.5078 1082 T 5.4948 9.2243 116.9816 60.3237 72.1189 171.2207 1083 N 5.4768 8.2764 119.5685 51.4761 40.7135 175.1638 1084 S 4.2228 8.8462 112.7330 60.4723 62.9886 174.8360 1085 Q 4.2772 8.0556 118.9152 55.3498 28.9101 175.9103 1086 G 3.8780 8.2497 106.2997 46.0832 0.0000 173.5325 1087 K 4.3682 7.8235 119.7517 55.0789 33.1067 176.0302 1088 T 4.8182 8.3354 114.2875 60.7374 70.9018 174.2377 1089 G 4.3409 9.0077 109.1109 44.8584 0.0000 171.8064 1090 V 5.1476 8.3513 113.7303 59.4050 35.2596 174.9824 1091 A 4.8334 8.8671 124.1655 50.7608 22.8774 174.9960 1092 A 5.1101 8.4720 121.0649 50.6721 22.5192 175.6895 1093 G 4.4190 9.4842 107.1981 44.7009 0.0000 171.8903 1094 V 5.0708 8.3246 119.2387 59.8434 34.5979 174.8286 1095 G 4.3723 9.4042 109.8478 44.7584 0.0000 170.5526 1096 Y 5.4419 8.6248 121.9560 55.4475 42.1036 174.2959 1097 Q 4.4871 8.6782 127.0326 54.6340 31.6463 176.4269 *1098 W 4.0942 8.4711 122.7364 56.1798 28.5994 172.9396 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 1021 S 8.19 4.48 0.00 4.03 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 1022 K 8.60 3.76 0.00 1.91 2.06 0.00 1.68 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.60 7.81 1023 R 8.37 3.91 0.00 1.96 1.99 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.27 0.00 1024 A 7.75 3.98 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 1025 D 8.30 4.57 0.00 2.81 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1026 A 8.52 4.14 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 1028 T 7.90 3.70 4.09 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 0.20 0.00 0.00 1029 A 8.11 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1030 S 8.16 4.03 0.00 4.07 3.92 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 1031 A 7.92 4.02 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 1032 L 8.04 3.89 0.00 1.75 1.73 0.78 0.66 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 1033 A 8.24 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1034 A 8.09 3.99 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 1035 S 8.05 4.19 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1036 Q 7.47 4.61 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 1037 L 7.24 4.08 0.00 1.70 1.62 0.96 1.48 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 1038 P 0.00 4.36 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 1039 Q 8.23 4.59 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 1040 A 8.43 4.17 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 1041 T 8.36 4.57 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 1042 M 7.64 4.66 0.00 2.07 1.97 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 2.58 2.51 0.00 1043 P 0.00 4.24 0.00 2.02 1.98 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 1044 G 8.47 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 1045 K 7.60 4.67 0.00 1.77 1.71 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.51 7.81 1046 S 8.54 5.30 0.00 3.72 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 1047 M 9.22 4.78 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 1048 V 8.47 4.82 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 0.84 0.00 0.00 0.93 0.00 0.00 1049 A 9.37 4.86 1.17 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 0.00 0.00 0.00 1050 I 8.31 5.11 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 1.28 1.16 0.91 0.00 0.00 1051 A 9.38 4.79 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 1052 G 8.57 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1053 S 8.75 4.91 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 1054 S 8.50 5.17 0.00 3.75 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 1055 Y 9.47 4.48 0.00 2.92 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 1056 Q 9.40 3.20 0.00 1.92 2.00 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 1.16 1.75 0.00 1057 G 8.42 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1058 Q 7.93 4.70 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.74 0.00 1059 N 9.29 5.52 0.00 2.58 2.69 0.00 0.00 6.83 7.20 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 1060 G 8.72 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1061 L 9.04 5.44 0.00 1.71 1.46 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 1062 A 9.55 5.32 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 1063 I 8.89 4.93 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 1.25 0.75 0.91 0.00 0.00 1064 G 9.42 4.48 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 0.00 1065 V 9.08 5.24 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 0.77 0.00 0.00 0.98 0.00 0.00 1066 S 9.05 5.20 0.00 3.87 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 1067 R 8.74 5.07 0.00 1.89 1.75 0.00 3.05 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 1068 I 8.39 5.10 2.01 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 1.27 1.19 0.93 0.00 0.00 1069 S 9.04 4.38 0.00 3.88 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 0.00 1070 D 8.88 4.32 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.15 4.55 0.00 2.81 2.93 0.00 0.00 6.08 7.00 0.00 0.00 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 G 8.26 3.92 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 0.00 1073 K 8.30 4.18 0.00 1.77 1.29 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.29 7.81 1074 V 8.03 4.91 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 1.09 0.00 0.00 1.14 0.00 0.00 1075 I 8.75 5.20 1.87 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 1.27 0.64 0.96 0.00 0.00 1076 I 8.67 5.07 1.88 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 0.79 0.93 0.00 0.00 1077 R 9.02 5.13 0.00 1.72 1.80 0.00 3.24 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 1078 L 9.20 5.32 0.00 1.68 1.44 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 1079 S 9.48 5.11 0.00 3.93 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 1080 G 9.12 4.67 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 1081 T 9.20 5.30 4.24 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 1.20 0.00 0.00 1082 T 9.22 5.49 4.24 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 1.21 0.00 0.00 1083 N 8.28 5.48 0.00 2.89 2.93 0.00 0.00 5.69 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 1084 S 8.85 4.22 0.00 4.03 4.05 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 0.00 0.00 0.00 1085 Q 8.06 4.28 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 1086 G 8.25 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 1087 K 7.82 4.37 0.00 1.95 1.74 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.36 7.81 1088 T 8.34 4.82 4.24 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 1.21 0.00 0.00 1089 G 9.01 4.34 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 0.00 1090 V 8.35 5.15 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 0.74 0.00 0.00 0.93 0.00 0.00 1091 A 8.87 4.83 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 1092 A 8.47 5.11 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 1093 G 9.48 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 0.00 0.00 0.00 0.00 1094 V 8.32 5.07 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 0.77 0.00 0.00 1.00 0.00 0.00 1095 G 9.40 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 0.00 0.00 0.00 0.00 1096 Y 8.62 5.44 0.00 2.91 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 1097 Q 8.68 4.49 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.58 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 *1098 W 8.47 4.09 0.00 2.53 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.