NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1003 M 4.5143 8.1633 120.6214 55.3607 33.8087 174.3760 1004 I 4.2779 8.4680 127.4168 60.7621 37.9950 170.7961 1005 V 4.4689 9.5635 117.8361 59.6618 34.0319 175.4479 1006 G 4.2527 7.4034 112.5716 46.4017 0.0000 171.4288 1007 H 5.4272 8.3110 120.5439 54.8290 33.0401 172.7804 1008 G 4.3182 8.8214 111.5493 44.9000 0.0000 171.4016 1009 I 5.3749 7.9529 114.1209 59.4799 41.4782 173.5568 1010 D 4.7669 8.5568 119.8076 53.3410 44.9696 173.7606 1011 I 5.2356 8.3572 123.8882 59.4103 41.4163 173.7869 1012 E 4.9031 9.2069 128.7346 54.5129 33.7265 173.6751 1013 E 4.4501 8.8118 126.4748 55.2363 30.7795 177.2318 1014 L 3.9486 8.3694 126.5907 57.8941 41.6159 179.5178 1015 A 3.9541 7.8170 120.2059 55.2269 17.8371 179.7175 1016 S 3.9667 7.7758 113.5959 61.7209 62.6816 176.9466 1017 I 3.4215 7.4346 122.1156 63.9570 36.9118 177.9113 1018 E 3.9117 8.0954 120.3902 59.3181 29.4958 179.0678 1019 S 4.0409 7.9884 115.0900 61.3994 62.6127 176.4555 1020 A 3.7011 7.1230 122.1220 54.9346 18.2108 179.6327 1021 V 3.7322 7.3835 116.7165 66.5159 31.4632 178.4655 1022 T 3.9060 7.6402 114.3202 66.5209 68.3127 176.2560 1023 R 3.8623 7.7679 119.6364 57.1027 31.1401 175.3861 1024 H 4.0754 8.0411 117.3533 57.7772 28.1289 174.0149 1025 E 4.4471 8.1880 113.6441 55.8810 30.7149 177.0610 1026 G 3.8790 8.2597 107.9722 46.3278 0.0000 175.3679 1027 F 3.9703 8.4835 121.6843 61.1409 39.3063 176.5495 1028 A 3.5900 8.0187 119.6405 55.1232 17.9162 179.3807 1029 K 3.8505 7.2506 117.1009 59.3197 32.2452 178.5867 1030 R 4.0008 7.3864 118.1926 58.7350 30.1152 177.9821 1031 V 3.3523 7.1599 116.5683 63.3108 32.0638 175.7089 1032 L 4.8196 6.8639 117.3658 52.9759 43.8340 177.0150 1033 T 4.4531 8.6121 112.7473 60.6997 71.6758 175.7148 1034 A 3.9585 8.3320 121.4129 55.4695 17.9165 179.6064 1035 L 3.9648 7.8812 116.9757 58.1219 41.7460 179.5276 1036 E 3.9292 8.1502 118.1947 59.6248 29.5039 179.0291 1037 M 4.1260 8.2082 118.2689 58.7627 32.0343 178.0815 1038 E 4.0057 7.8940 117.4769 59.3454 29.7387 179.0509 1039 R 3.8948 7.5514 118.5381 59.0623 29.5965 178.1496 1040 F 3.9324 7.8441 120.3584 61.5139 39.1829 177.1456 1041 T 3.8755 7.7088 107.4349 63.8497 68.7814 175.9844 1042 S 4.3081 7.4744 115.7939 58.5633 63.6655 174.0593 1043 L 4.4592 6.5517 121.7689 53.3283 42.9993 175.5868 1044 K 4.5339 7.6202 117.9316 55.8587 36.4015 178.3056 1045 G 3.6995 8.4611 107.2453 46.5958 0.0000 176.0745 1046 R 3.9568 8.5107 117.3799 59.3838 30.0681 178.8559 1047 R 3.9972 7.9659 117.5037 59.0658 30.1939 178.6754 1048 Q 3.8949 7.8688 119.4275 59.2489 29.0565 178.3722 1049 I 4.0534 7.7181 120.4464 64.2955 37.2830 177.8557 1050 E 4.0074 8.3669 120.3356 59.1395 29.4346 178.3351 1051 Y 3.9981 8.0252 119.5111 60.4369 38.9465 177.6236 1052 L 3.9317 7.9805 119.9614 58.1497 42.2899 178.6137 1053 A 4.1515 8.2269 120.8512 55.2756 18.2994 179.8211 1054 G 3.5832 8.2021 104.0619 48.1473 0.0000 176.1957 1055 R 3.8500 7.6904 120.1088 58.4059 30.0534 179.0517 1056 W 4.1952 8.2477 128.3772 60.5372 30.7944 178.0732 1057 S 4.1871 8.5780 112.9956 61.3687 61.8575 175.9847 1058 A 4.1036 8.1220 123.5716 55.1153 18.0873 179.8134 1059 K 4.0860 7.9271 117.0518 59.6967 31.9907 179.5296 1060 E 3.7789 7.9490 118.2213 59.1106 29.2186 179.2553 1061 A 3.9762 8.0109 121.0009 55.0077 18.3222 179.4791 1062 F 3.8561 8.3424 119.5657 61.2950 39.4594 177.5594 1063 S 4.1067 8.0266 113.5983 61.3815 62.8093 176.6947 1064 K 3.9295 7.8049 121.9998 58.9606 31.3430 179.1935 1065 A 3.9411 7.6152 120.8129 54.9460 17.9771 179.0805 1066 M 4.0100 7.2196 115.6185 55.5436 32.1877 177.3696 1067 G 3.8522 7.5590 106.6739 46.2067 0.0000 174.2631 1068 T 4.2707 7.6364 110.0307 59.9127 70.6781 175.3091 1069 G 3.9606 8.0289 106.3944 45.4082 0.0000 172.2471 1070 I 4.1472 8.5569 119.8515 58.3822 38.0368 175.9522 1071 S 5.9954 7.6274 132.1000 60.0933 62.1200 179.0692 1072 K 3.9722 7.6196 119.0127 57.8407 32.3745 176.6540 1073 L 4.4510 7.5505 122.0287 53.1686 44.7006 175.9194 1074 G 4.0473 8.4994 114.9629 44.8831 0.0000 174.0761 1075 F 4.0308 8.8995 117.1861 60.1320 39.0008 177.6444 1076 Q 4.2342 8.1454 117.5976 57.3999 28.5419 175.9467 1077 D 4.6444 7.6335 116.6827 54.2490 41.6924 175.5472 1078 L 5.0937 7.4878 116.8136 53.8273 45.5090 175.6195 1079 E 4.7428 8.6843 121.3586 54.8919 33.6192 173.9181 1080 V 4.3113 8.8484 126.7260 61.3066 33.8221 174.1745 1081 L 4.9595 7.5717 128.9058 52.9106 45.5167 174.3702 1082 N 5.7545 8.6841 116.2741 52.0862 41.1605 175.2730 1083 N 4.6600 9.1064 121.7531 51.7643 38.8768 175.3444 1084 E 4.1772 8.5795 114.5604 58.0036 29.4389 177.2931 1085 R 4.3673 8.0321 117.2667 55.9537 31.2141 176.7120 1086 G 3.9147 8.5685 106.7472 45.0097 0.0000 173.0874 1087 A 4.8389 7.6267 121.5464 49.4894 21.0670 175.3877 1088 P 5.0696 0.0000 0.0000 63.3980 32.4420 175.1504 1089 Y 4.8747 8.4888 118.9207 55.8361 41.8901 173.8907 1090 F 4.4171 8.9375 120.3880 57.3448 38.7241 175.6264 1091 S 4.5538 8.4477 119.7258 59.7914 64.0300 174.6897 1092 Q 4.6283 7.5920 119.2441 54.3239 32.7815 173.9563 1093 A 4.1171 8.1993 123.6789 51.2902 21.9934 174.8310 1094 P 4.6940 0.0000 0.0000 60.6245 30.3681 175.5213 1095 F 4.9424 7.5944 120.0208 57.8393 42.7176 173.5198 1096 S 4.4439 7.3302 119.7371 57.9331 64.3538 174.4265 1097 G 3.8898 5.3800 110.6473 44.5982 0.0000 172.5616 1098 K 4.3272 8.5291 119.2596 55.8536 33.7401 176.3776 1099 I 4.5058 8.1709 124.7090 59.4391 39.6085 174.8833 1100 W 4.8468 8.9896 128.3070 55.2352 30.5224 175.4257 1101 L 5.4938 8.8082 126.3221 53.4725 45.1117 175.3949 1102 S 4.8398 8.8372 118.6174 56.9544 66.1958 172.6276 1103 I 5.2017 8.3968 125.9202 59.9076 40.8026 174.4549 1104 S 4.8916 8.9197 118.9080 57.7381 66.2527 172.1581 1105 H 5.4407 8.3981 118.2824 55.3063 31.2510 172.6409 1106 T 4.8493 8.3688 109.5268 60.3470 70.9838 173.2555 1107 D 4.6687 8.7853 119.3239 55.0677 40.2383 176.3752 1108 Q 4.3835 8.3362 118.1545 55.9706 32.2344 175.0698 1109 F 5.6002 8.1910 115.7481 55.5990 44.1568 174.1259 1110 V 5.2762 8.7759 118.5327 60.4728 34.9005 174.6176 1111 T 5.3873 9.0858 111.9211 60.3656 72.7850 172.4293 1112 A 5.2342 8.8017 123.2234 50.8940 23.3020 175.1192 1113 S 5.0700 8.9441 113.7521 56.7295 66.4603 173.0483 1114 V 5.0367 8.9680 125.6824 61.3061 35.2955 174.1092 1115 I 5.1147 8.7546 126.7747 59.6615 41.1561 174.0746 1116 L 5.0964 8.7037 126.7847 53.2343 43.9098 175.2500 1117 E 5.3885 9.1355 123.0131 54.8503 33.8132 173.6159 1118 E 5.0028 8.9633 122.3856 54.8558 32.7204 175.0953 1119 N 4.6182 8.8378 120.0805 53.3579 39.1850 174.2860 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 M 8.16 4.51 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 1004 I 8.47 4.28 1.87 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 1.36 0.77 0.93 0.00 0.00 1005 V 9.56 4.47 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 0.73 0.00 0.00 1.05 0.00 0.00 1006 G 7.40 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 0.00 0.00 0.00 0.00 1007 H 8.31 5.43 0.00 3.03 3.11 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 G 8.82 4.32 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 0.00 1009 I 7.95 5.37 1.87 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 1.18 0.75 0.86 0.00 0.00 1010 D 8.56 4.77 0.00 2.77 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 1011 I 8.36 5.24 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.96 0.00 0.00 1012 E 9.21 4.90 0.00 2.35 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 2.21 2.32 0.00 1013 E 8.81 4.45 0.00 2.06 1.77 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 2.28 1.97 0.00 1014 L 8.37 3.95 0.00 1.68 1.64 1.01 0.84 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 1015 A 7.82 3.95 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 1016 S 7.78 3.97 0.00 3.81 3.77 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 1017 I 7.43 3.42 1.89 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.90 0.00 0.00 1018 E 8.10 3.91 0.00 2.01 2.01 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 2.26 2.33 0.00 1019 S 7.99 4.04 0.00 3.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.12 3.70 0.42 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 1021 V 7.38 3.73 2.24 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 1.14 0.00 0.00 1.13 0.00 0.00 1022 T 7.64 3.91 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 1.19 0.00 0.00 1023 R 7.77 3.86 0.00 2.01 1.97 0.00 3.36 0.00 0.00 3.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 1024 H 8.04 4.08 0.00 3.27 3.31 0.00 5.94 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1025 E 8.19 4.45 0.00 2.07 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 2.28 2.31 0.00 1026 G 8.26 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 1027 F 8.48 3.97 0.00 3.00 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 1028 A 8.02 3.59 1.02 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 0.00 0.00 1029 K 7.25 3.85 0.00 1.88 1.95 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.58 7.81 1030 R 7.39 4.00 0.00 1.81 1.88 0.00 3.34 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 1031 V 7.16 3.35 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 0.79 0.00 0.00 -0.06 0.00 0.00 1032 L 6.86 4.82 0.00 1.57 1.52 0.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 1033 T 8.61 4.45 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 1.20 0.00 0.00 1034 A 8.33 3.96 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 1035 L 7.88 3.96 0.00 1.85 1.74 1.00 1.00 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 1036 E 8.15 3.93 0.00 2.30 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 2.39 2.33 0.00 1037 M 8.21 4.13 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 1038 E 7.89 4.01 0.00 2.20 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 0.00 2.35 2.50 0.00 1039 R 7.55 3.89 0.00 1.69 1.83 0.00 2.99 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.00 1040 F 7.84 3.93 0.00 3.12 3.21 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 1041 T 7.71 3.88 4.20 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 1.34 0.00 0.00 1042 S 7.47 4.31 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.55 4.46 0.00 1.46 1.52 0.77 0.69 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 1044 K 7.62 4.53 0.00 1.74 1.65 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.36 7.81 1045 G 8.46 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.96 0.00 1.87 2.00 0.00 3.14 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 1047 R 7.97 4.00 0.00 1.85 1.98 0.00 3.14 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 1048 Q 7.87 3.89 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 1049 I 7.72 4.05 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.94 0.00 0.00 1050 E 8.37 4.01 0.00 2.07 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 2.04 2.31 0.00 1051 Y 8.03 4.00 0.00 3.13 3.25 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 1052 L 7.98 3.93 0.00 2.02 1.99 0.65 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 1053 A 8.23 4.15 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 1054 G 8.20 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 0.00 0.00 0.00 1055 R 7.69 3.85 0.00 1.84 1.89 0.00 2.78 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 1056 W 8.25 4.20 0.00 3.51 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 1057 S 8.58 4.19 0.00 4.29 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 1058 A 8.12 4.10 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 1059 K 7.93 4.09 0.00 1.76 1.74 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.74 7.81 1060 E 7.95 3.78 0.00 1.86 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 1.75 1.60 0.00 1061 A 8.01 3.98 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 1062 F 8.34 3.86 0.00 2.96 3.09 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 0.00 1063 S 8.03 4.11 0.00 3.91 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 1064 K 7.80 3.93 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.57 7.81 1065 A 7.62 3.94 1.06 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 0.00 0.00 1066 M 7.22 4.01 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.75 0.00 1067 G 7.56 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 1068 T 7.64 4.27 4.20 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 1.16 0.00 0.00 1069 G 8.03 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 1070 I 8.56 4.15 1.53 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.73 0.51 0.00 0.00 1071 S 7.63 6.00 0.00 4.30 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 1072 K 7.62 3.97 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.35 7.81 1073 L 7.55 4.45 0.00 1.75 1.38 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 1074 G 8.50 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 0.00 0.00 0.00 1075 F 8.90 4.03 0.00 3.06 3.21 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 1076 Q 8.15 4.23 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 1077 D 7.63 4.64 0.00 2.57 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 1078 L 7.49 5.09 0.00 1.53 1.54 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 1079 E 8.68 4.74 0.00 1.90 1.65 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 2.09 2.20 0.00 1080 V 8.85 4.31 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 0.50 0.00 0.00 0.08 0.00 0.00 1081 L 7.57 4.96 0.00 1.34 1.56 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 1082 N 8.68 5.75 0.00 2.64 2.80 0.00 0.00 6.82 8.00 0.00 0.00 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 N 9.11 4.66 0.00 2.65 2.46 0.00 0.00 6.38 7.22 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 1084 E 8.58 4.18 0.00 2.09 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 2.23 2.31 0.00 1085 R 8.03 4.37 0.00 1.80 1.99 0.00 3.39 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 1086 G 8.57 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 1087 A 7.63 4.84 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 1088 P 0.00 5.07 0.00 2.03 2.06 0.00 3.86 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 2.04 2.00 0.00 1089 Y 8.49 4.87 0.00 3.12 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 1090 F 8.94 4.42 0.00 2.94 2.96 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 0.00 0.00 0.00 1091 S 8.45 4.55 0.00 3.85 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 1092 Q 7.59 4.63 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 1093 A 8.20 4.12 0.74 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 0.00 0.00 1094 P 0.00 4.69 0.00 2.26 2.12 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 1095 F 7.59 4.94 0.00 3.04 3.05 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 1096 S 7.33 4.44 0.00 3.80 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 1097 G 5.38 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 0.00 0.00 0.00 1098 K 8.53 4.33 0.00 1.79 1.38 0.00 1.88 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.42 7.81 1099 I 8.17 4.51 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 1.00 0.00 0.00 1100 W 8.99 4.85 0.00 3.34 3.16 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 1101 L 8.81 5.49 0.00 1.90 1.69 1.14 0.78 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 1102 S 8.84 4.84 0.00 3.94 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 1103 I 8.40 5.20 1.91 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 1.27 0.82 1.00 0.00 0.00 1104 S 8.92 4.89 0.00 3.91 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 1105 H 8.40 5.44 0.00 3.37 3.37 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1106 T 8.37 4.85 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 1.29 0.00 0.00 1107 D 8.79 4.67 0.00 2.82 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 1108 Q 8.34 4.38 0.00 1.86 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.67 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 1109 F 8.19 5.60 0.00 2.99 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 1110 V 8.78 5.28 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 0.98 0.00 0.00 1.14 0.00 0.00 1111 T 9.09 5.39 4.29 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 1.25 0.00 0.00 1112 A 8.80 5.23 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 1113 S 8.94 5.07 0.00 3.95 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 1114 V 8.97 5.04 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 0.89 0.00 0.00 1.15 0.00 0.00 1115 I 8.75 5.11 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.96 0.94 0.00 0.00 1116 L 8.70 5.10 0.00 1.38 1.07 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 1117 E 9.14 5.39 0.00 2.24 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 0.00 2.36 2.51 0.00 1118 E 8.96 5.00 0.00 1.99 1.90 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 2.29 2.32 0.00 1119 N 8.84 4.62 0.00 2.73 2.75 0.00 0.00 6.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00