NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1004 K 4.1694 8.3149 120.1092 56.7420 33.2343 177.8800 1005 H 4.5557 8.9603 126.9791 56.1755 29.6069 172.0193 1006 S 4.6058 8.0751 111.6423 57.1712 66.6488 174.9903 1007 I 3.8810 8.1810 123.6067 64.4579 36.8913 178.1110 1008 S 4.6713 7.7155 113.5338 59.1286 62.2931 174.5276 1009 D 4.6043 7.9897 119.8585 55.1223 41.0598 175.8106 1010 Y 5.0934 8.2440 118.9833 55.7445 40.7611 175.4922 1011 T 4.6507 9.9736 118.1900 60.7750 71.0082 174.9675 1012 E 2.5400 8.5782 123.4779 59.4768 29.3379 179.4639 1013 A 4.0070 7.8096 119.5914 54.8068 18.5632 179.4081 1014 E 4.0032 8.1253 117.6380 59.6562 29.6894 179.2159 1015 F 3.9532 8.5385 121.0396 60.9000 39.3381 176.9407 1016 L 3.8893 7.9494 120.3641 57.8313 41.6272 178.6851 1017 Q 3.8804 7.5179 119.0795 58.7780 29.3200 177.1954 1018 L 4.0069 7.6051 121.1174 58.3121 41.8677 179.2968 1019 V 3.2654 7.4709 117.4284 65.8933 31.3280 177.7592 1020 A 3.9808 7.6208 118.5547 54.7090 18.2168 178.9715 1021 T 4.1384 7.6807 114.1493 65.6781 68.8945 176.8765 1022 I 3.5872 7.6529 120.1060 64.7441 37.0948 176.4926 1023 C 4.1177 7.5277 114.3430 59.9758 28.3861 172.9293 1024 D 4.6788 7.6400 120.8615 52.0466 41.0156 176.4010 1025 A 4.0034 8.5105 130.7909 55.0989 18.6180 178.1773 1026 D 4.4491 8.2518 114.1075 56.4407 41.0650 177.4728 1027 A 4.0465 8.0380 122.4675 55.0137 18.5323 177.9549 1028 T 4.1144 7.1521 104.9692 61.3877 70.3513 172.8349 1029 S 4.4667 8.1859 123.7922 57.9709 64.0589 174.6687 1030 E 4.1942 8.5634 118.8202 58.2242 29.9934 179.1764 1031 E 4.0442 8.0926 117.8695 60.3588 30.1025 178.3209 1032 E 3.5775 7.9772 116.8256 58.5455 29.6852 178.7306 1033 L 3.8948 8.2914 119.7072 58.8395 42.2144 179.2340 1034 D 4.4435 7.8919 117.5520 57.2111 41.1126 178.3308 1035 K 4.1883 8.5027 119.6535 59.6398 32.9212 179.0420 1036 L 4.1463 8.6225 120.5128 57.9206 41.4190 179.5911 1037 I 3.9346 8.4824 119.7167 64.1067 37.0619 178.7095 1038 T 4.0215 7.5672 115.7102 66.7690 68.4141 176.0729 1039 H 4.3577 8.7870 120.5799 59.8221 29.7695 176.7472 1040 F 4.3195 8.5217 122.1483 60.9976 39.3929 177.5966 1041 G 3.6891 8.2438 105.5403 47.4841 0.0000 175.7083 1042 E 3.9888 7.8188 119.9034 59.5270 29.7139 178.6677 1043 M 4.1583 8.0076 117.8614 58.8275 32.1819 178.8450 1044 T 3.8057 7.5455 108.0701 62.7720 68.8743 174.2627 1045 E 3.8552 7.7218 117.5893 56.8735 28.2468 174.0555 1046 H 3.1942 7.7044 119.2353 54.7936 30.3081 174.4985 1047 P 4.2455 0.0000 0.0000 66.0643 30.9967 177.8134 1048 S 4.2469 8.3984 114.0895 58.9907 64.4269 175.5635 1049 G 3.9273 7.3550 109.1694 47.0338 0.0000 176.0865 1050 S 4.7237 8.6630 120.4616 58.6831 63.2957 174.8860 1051 D 4.6276 7.9255 123.4467 57.6164 40.2833 178.1605 1052 L 3.9961 7.3728 117.5371 57.9599 41.6227 179.3563 1053 I 3.6066 7.5445 118.6862 63.4884 37.2633 176.4747 1054 Y 4.5163 7.8441 113.7811 58.0824 40.1420 175.4204 1055 Y 4.6728 8.1359 116.8662 55.5524 38.1885 173.3367 1056 P 4.5318 0.0000 0.0000 62.2231 33.2870 176.9273 1057 E 4.2995 8.3602 119.3345 54.9070 30.7058 175.1043 1058 E 3.9471 8.6399 121.5987 60.3052 29.3084 176.7886 1059 G 4.1314 9.0270 114.1742 45.4117 0.0000 172.0909 1060 D 4.7384 7.7923 119.0965 52.7107 42.3219 175.5647 1061 D 4.6024 8.4946 122.1933 53.6618 41.7600 176.1696 1062 D 4.9339 8.5211 125.3444 52.9218 40.0018 176.5653 1063 S 4.3421 8.3256 115.0674 57.6789 64.0290 173.2269 1064 P 4.1454 0.0000 0.0000 66.2647 31.0460 179.2301 1065 S 4.2604 8.1141 113.1885 61.3188 62.6110 176.7589 1066 G 3.8308 7.9989 110.0447 46.7609 0.0000 175.6631 1067 I 3.9248 7.4772 121.1431 64.2398 37.5477 177.7597 1068 V 3.7049 8.0374 117.1863 66.6477 31.3942 177.3412 1069 N 4.2841 8.1962 116.5806 57.2535 39.2895 176.8166 1070 T 4.1117 8.0497 110.9002 64.4338 68.8637 176.5514 1071 V 3.6594 7.9056 123.8189 66.2523 31.5206 176.5543 *1072 K 4.2053 7.6668 120.5994 54.5206 32.2171 177.0990 1073 Q 4.4708 8.2139 118.2710 55.9037 30.8397 176.9442 1074 W 3.9769 7.9770 127.2846 60.0969 30.3324 177.9678 1075 R 3.4204 8.5711 117.6052 59.5032 29.5427 178.6266 1076 A 3.9980 7.2607 116.7635 53.7040 18.4947 178.3618 1077 A 4.2790 7.4203 117.8517 52.3497 19.4220 177.2994 1078 N 4.6367 8.7115 116.4945 52.4827 39.4561 177.9003 1079 G 4.0993 8.2391 109.4725 46.6272 0.0000 175.2361 1080 K 3.8635 7.7195 118.4017 56.1518 32.6717 176.6744 1081 S 4.1579 8.4167 116.5244 58.9926 63.6468 175.2937 1082 G 3.9269 8.0865 114.5106 44.7531 0.0000 173.1285 1083 F 4.6954 8.3535 119.4681 56.1832 40.2394 175.3264 1084 K 4.0402 8.9025 124.9824 57.8883 32.6315 177.2765 1085 Q 4.1681 8.8072 123.5923 56.2750 28.0341 173.2069 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 1004 K 8.31 4.17 0.00 1.62 0.74 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 1005 H 8.96 4.56 0.00 3.23 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 S 8.08 4.61 0.00 3.90 3.68 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 1007 I 8.18 3.88 1.62 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.42 0.22 0.00 0.00 1008 S 7.72 4.67 0.00 3.85 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 1009 D 7.99 4.60 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1010 Y 8.24 5.09 0.00 3.45 2.97 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 1011 T 9.97 4.65 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 1.39 0.00 0.00 1012 E 8.58 2.54 0.00 1.60 1.76 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 2.15 1.74 0.00 1013 A 7.81 4.01 1.30 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 1014 E 8.13 4.00 0.00 2.60 2.46 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 2.47 2.41 0.00 1015 F 8.54 3.95 0.00 3.08 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 1016 L 7.95 3.89 0.00 1.98 1.77 0.88 0.34 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 1017 Q 7.52 3.88 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 1018 L 7.61 4.01 0.00 1.77 1.55 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1019 V 7.47 3.27 2.00 0.00 0.00 0.00 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 0.60 0.00 0.00 1020 A 7.62 3.98 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 1021 T 7.68 4.14 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 1.19 0.00 0.00 1022 I 7.65 3.59 1.75 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.74 0.00 0.00 1023 C 7.53 4.12 0.00 2.79 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 1024 D 7.64 4.68 0.00 2.55 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 1025 A 8.51 4.00 1.30 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 1026 D 8.25 4.45 0.00 2.86 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 1027 A 8.04 4.05 1.28 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 1028 T 7.15 4.11 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 1.23 0.00 0.00 1029 S 8.19 4.47 0.00 4.03 4.01 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 0.00 0.00 0.00 0.00 1030 E 8.56 4.19 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 2.38 2.22 0.00 1031 E 8.09 4.04 0.00 2.04 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 2.27 2.35 0.00 1032 E 7.98 3.58 0.00 2.24 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 2.41 2.43 0.00 1033 L 8.29 3.89 0.00 1.80 1.70 0.96 1.01 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 1034 D 7.89 4.44 0.00 2.94 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 1035 K 8.50 4.19 0.00 2.02 2.07 0.00 1.39 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.62 7.81 1036 L 8.62 4.15 0.00 1.82 1.81 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 1037 I 8.48 3.93 1.94 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 1.52 1.25 1.01 0.00 0.00 1038 T 7.57 4.02 4.44 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 1.28 0.00 0.00 1039 H 8.79 4.36 0.00 3.36 3.61 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1040 F 8.52 4.32 0.00 3.17 3.08 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 1041 G 8.24 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 E 7.82 3.99 0.00 2.24 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 2.38 2.50 0.00 1043 M 8.01 4.16 0.00 1.83 2.09 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 1044 T 7.55 3.81 4.04 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 0.00 0.00 0.00 0.58 0.00 0.00 1045 E 7.72 3.86 0.00 2.28 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 2.43 2.37 0.00 1046 H 7.70 3.19 0.00 2.77 2.87 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 P 0.00 4.25 0.00 2.17 2.15 0.00 2.77 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 1048 S 8.40 4.25 0.00 3.66 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 1049 G 7.35 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 0.00 0.00 0.00 1050 S 8.66 4.72 0.00 4.29 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 0.00 1051 D 7.93 4.63 0.00 2.92 2.87 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 1052 L 7.37 4.00 0.00 1.79 1.74 0.66 0.70 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 1053 I 7.54 3.61 1.39 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.08 -0.23 0.00 0.00 1054 Y 7.84 4.52 0.00 2.91 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 1055 Y 8.14 4.67 0.00 2.85 2.90 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 1056 P 0.00 4.53 0.00 2.16 2.00 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 1.95 1.91 0.00 1057 E 8.36 4.30 0.00 2.20 1.92 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 2.39 2.32 0.00 1058 E 8.64 3.95 0.00 1.93 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 2.31 2.34 0.00 1059 G 9.03 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 0.00 0.00 0.00 1060 D 7.79 4.74 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.60 0.00 2.75 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 1062 D 8.52 4.93 0.00 2.71 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 1063 S 8.33 4.34 0.00 3.99 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 1064 P 0.00 4.15 0.00 2.12 2.14 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 1065 S 8.11 4.26 0.00 3.85 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 1066 G 8.00 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 1067 I 7.48 3.92 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.98 0.00 0.00 1068 V 8.04 3.70 2.16 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 0.97 0.00 0.00 1.08 0.00 0.00 1069 N 8.20 4.28 0.00 2.99 3.02 0.00 0.00 7.40 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 1070 T 8.05 4.11 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 1.26 0.00 0.00 1071 V 7.91 3.66 2.52 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 0.99 0.00 0.00 1.14 0.00 0.00 *1072 K 7.67 4.21 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.53 7.81 1073 Q 8.21 4.47 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 1074 W 7.98 3.98 0.00 3.55 3.46 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 1075 R 8.57 3.42 0.00 1.88 1.88 0.00 3.15 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 1076 A 7.26 4.00 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 1077 A 7.42 4.28 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 1078 N 8.71 4.64 0.00 2.11 2.33 0.00 0.00 6.77 7.48 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 1079 G 8.24 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 0.00 0.00 0.00 1080 K 7.72 3.86 0.00 1.57 1.69 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.11 7.81 1081 S 8.42 4.16 0.00 3.76 3.74 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 1082 G 8.09 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 0.00 0.00 0.00 1083 F 8.35 4.70 0.00 3.05 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 1084 K 8.90 4.04 0.00 1.98 1.77 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.45 7.81 1085 Q 8.81 4.17 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.