NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4612 8.1814 115.4184 58.1346 64.7096 174.0430 18 G 3.5205 8.3982 105.9290 46.4405 0.0000 174.2729 19 L 3.9283 8.5988 123.4655 58.1340 42.6303 177.1021 20 E 3.9885 8.2750 118.4531 59.6168 29.3462 179.2065 21 D 4.3065 7.7124 117.7900 57.0980 40.7771 178.9077 22 K 3.8855 7.9963 118.9861 59.5352 32.1365 179.4544 23 V 3.4818 7.7043 118.3532 66.0092 31.5081 177.9518 24 S 3.7491 8.4426 115.6418 61.9313 62.2781 177.0022 25 K 4.0707 8.6611 126.6399 59.5054 31.4056 180.6589 26 Q 4.1035 8.1638 119.8235 59.3370 29.0660 178.1256 27 L 4.0024 7.8014 119.8195 58.0213 41.7448 179.4297 28 E 4.0894 8.1836 118.0552 59.6077 29.2355 179.6156 29 S 4.3230 8.0132 112.8754 60.9219 62.8900 175.6899 30 K 4.4883 7.6692 119.1446 54.8296 32.1924 176.4485 31 G 3.9590 8.2258 107.2345 46.5503 0.0000 174.1763 32 I 4.2337 8.2857 123.5561 59.9115 37.8632 176.9527 33 K 4.2828 8.5627 127.9210 54.0795 32.4006 172.5064 34 F 5.1364 7.6925 116.5493 54.8649 40.9835 173.2251 35 E 4.7235 8.9297 120.4044 54.6939 31.5825 175.0789 36 Y 4.7694 8.4866 123.0979 56.8301 40.5041 175.0464 37 E 4.0441 8.4983 126.2766 57.1700 27.3154 175.5431 38 E 3.9061 7.5895 120.0681 56.9523 30.0839 176.3321 39 W 4.9412 7.8273 117.3678 54.5603 32.1231 174.4912 40 K 4.5920 8.8566 121.6013 54.5454 33.6633 175.8040 41 V 4.3366 8.2607 122.7576 60.4470 32.6360 173.6623 42 P 4.6365 0.0000 0.0000 62.8408 32.0401 175.0992 43 Y 4.7822 7.6151 116.3753 56.3939 40.1780 173.7072 44 V 4.2326 8.3128 120.0863 61.0287 34.1217 174.8356 45 I 4.3729 8.0530 127.0694 58.8200 37.9602 174.1118 46 P 4.3341 0.0000 0.0000 62.5671 31.5816 175.9891 47 A 4.2222 8.3558 122.8813 52.1507 19.0265 177.1898 48 S 4.8095 8.3341 114.7954 56.4393 66.1316 173.0820 49 N 4.8903 8.3799 118.7835 52.3863 39.9329 174.0849 50 H 4.9177 8.3014 117.8601 54.9876 33.1750 172.3338 51 T 4.7934 8.2007 108.8375 60.2656 71.5688 172.5253 52 Y 4.7956 8.3947 122.7526 56.1389 41.5721 175.2481 53 T 4.0308 8.0237 122.9722 60.6298 69.1457 172.1577 54 P 4.6822 0.0000 0.0000 61.7340 32.1386 176.7276 55 D 4.3187 9.1254 122.8133 56.9162 41.1735 176.8700 56 F 4.9466 8.6306 117.0375 55.3034 42.3032 173.9572 57 L 4.7926 8.4820 124.5151 53.1307 43.9805 176.0811 58 L 4.4611 8.5938 126.7800 53.1196 42.8036 176.0643 59 P 4.1924 0.0000 0.0000 65.9532 31.5611 177.1000 60 N 4.5886 8.1610 113.2071 52.9461 37.2176 176.1088 61 G 3.6883 8.3617 106.3144 45.9255 0.0000 173.2585 62 I 4.3088 7.3668 120.4796 59.7495 38.8542 175.0136 63 F 5.0467 9.0858 126.1920 56.5714 41.0162 175.0850 64 V 4.9657 9.3685 122.1725 61.3024 34.9619 173.5437 65 E 5.2178 9.5037 129.5219 54.7918 31.8336 174.4279 66 T 5.0318 9.4711 116.9947 60.3554 71.1961 174.0896 67 K 4.3051 8.7812 122.1172 56.9485 36.8831 174.7349 68 G 3.8731 9.1403 112.2315 46.0608 0.0000 175.0307 69 L 4.3485 9.1504 117.9736 54.3109 42.8223 176.9196 70 W 4.7916 9.0876 135.0000 55.2500 30.2550 175.0108 71 E 4.1135 8.3341 124.0471 55.4433 30.2255 178.0982 72 S 3.7364 8.7002 116.2621 61.8852 62.2882 176.6345 73 D 4.2156 7.9120 120.6435 57.4023 40.6429 178.1058 74 D 4.2766 7.8193 118.3810 57.3725 41.2183 178.4795 75 R 3.2258 7.0296 117.8913 58.9248 29.9152 179.0354 76 K 3.9511 7.7300 118.1902 59.0920 31.9810 179.1041 77 K 3.7400 8.3075 120.3446 59.9599 32.0354 178.3081 78 H 3.9677 8.1650 116.1089 59.0298 28.6987 177.7470 79 L 4.0363 8.1131 120.5521 57.7632 41.4076 179.7266 80 L 3.9682 8.3438 119.3094 57.9347 41.6368 179.6051 81 I 3.8750 8.3901 120.1008 64.2368 36.7286 178.5537 82 R 3.9209 7.9927 119.0647 59.2112 30.0056 177.8969 83 E 4.0615 7.8859 118.0265 59.6117 29.7968 178.6428 84 Q 4.1679 8.3648 116.9432 57.6952 30.2855 176.3111 85 H 4.9815 8.5443 116.8248 53.0886 29.0868 172.1779 86 P 4.4095 0.0000 0.0000 64.8830 31.7861 177.5625 87 E 4.2489 8.0524 113.8653 56.8407 30.2199 176.4151 88 L 4.2709 7.6633 120.8309 54.2827 42.6212 175.9811 89 D 4.8056 8.6880 122.8648 52.7345 42.4325 173.9170 90 I 5.0092 8.2647 125.7603 59.5226 39.4016 175.2856 91 R 4.8330 9.0780 125.8206 54.3297 34.1023 174.8042 92 I 4.8748 8.5281 120.4423 59.5020 40.9382 174.9534 93 V 4.8229 8.5532 126.3218 61.3745 33.5865 174.3926 94 F 5.3779 9.2653 127.2739 56.0231 41.0788 177.3080 95 S 4.2302 8.8922 118.3256 61.6232 63.2159 175.3044 96 S 4.4104 8.0621 115.5573 57.3425 63.9688 174.0750 97 S 3.9794 9.6322 123.1576 59.0656 63.1614 176.1361 98 R 3.9095 7.4355 120.3740 58.4253 30.4518 177.2255 99 T 3.5924 6.9045 113.3201 63.8207 68.9012 173.4104 100 K 4.4165 7.9538 123.9312 55.3574 33.3052 176.9022 101 L 4.1939 8.2590 123.9511 57.8619 41.8568 176.7767 102 Y 4.7819 7.1454 115.6760 56.8149 40.9434 175.8635 103 K 4.0297 7.9778 115.1876 56.0581 32.7463 171.9558 104 G 4.2158 8.6476 105.2888 45.7808 0.0000 174.1265 105 S 4.1171 7.7122 114.2963 57.1463 62.7389 172.0487 106 P 4.5587 0.0000 0.0000 63.7530 32.4965 176.1007 107 T 4.2490 7.5918 116.8364 62.7711 69.4717 173.8929 108 S 5.0308 8.0569 119.2308 56.2473 66.8425 174.8338 109 Y 4.5969 8.1865 121.4713 61.6978 37.5532 179.6265 110 G 2.7656 7.9522 106.1943 47.5421 0.0000 175.3033 111 E 4.2807 7.8314 122.1484 58.4920 29.5959 178.9564 112 F 4.1351 8.6282 120.9448 61.8527 39.4061 176.7725 113 C 4.2797 8.6482 116.3749 63.1601 27.7652 176.1011 114 E 4.1365 8.6000 120.3214 59.4354 28.8617 179.3588 115 K 3.8674 8.2219 118.7860 58.8756 32.2045 177.5427 116 H 4.7335 7.5849 113.4769 54.4533 29.1620 174.5502 117 G 3.8756 7.6850 108.2500 46.7272 0.0000 173.7577 118 I 4.4526 8.0785 121.1769 59.2761 38.5993 176.2535 119 K 4.5150 8.6747 127.4402 56.4097 33.2019 176.1582 120 F 6.2060 8.7265 118.0212 55.5386 41.8582 172.3349 121 A 4.4124 8.6675 118.7283 51.8186 22.3776 174.5652 122 D 5.4104 8.3745 117.9672 53.7232 43.5206 178.8807 123 K 3.5737 9.5285 122.4633 58.2540 32.1036 175.7164 124 L 4.5913 8.3215 115.4846 52.8103 45.8081 175.6171 125 I 3.5382 7.9146 121.6767 60.0747 37.3769 174.7152 126 P 3.9179 0.0000 0.0000 62.2194 32.1408 177.0489 127 A 3.9367 8.6249 125.0591 55.6610 18.7622 179.8357 128 E 4.1248 8.1095 114.7725 59.1899 29.4580 179.4997 129 W 4.5175 7.9613 118.9817 60.0693 28.9853 178.5574 130 I 3.8270 7.3255 117.1668 63.7820 36.5755 177.5727 131 K 4.3550 7.5768 116.4851 55.5258 32.7527 176.8311 132 E 4.1839 7.6028 120.1192 55.0303 30.0486 175.1004 133 P 4.2789 0.0000 0.0000 62.5026 31.8018 175.8893 134 K 4.1152 8.6401 123.2926 57.1537 32.4985 175.2851 135 K 4.8268 8.5905 126.5256 55.3010 36.0281 176.2455 136 E 4.2573 8.7938 119.0896 56.5183 30.5469 177.2183 137 V 4.1931 8.2528 123.7123 59.4974 33.5947 175.1546 138 P 4.6815 0.0000 0.0000 62.6822 28.9223 176.8593 139 F 4.2375 8.1070 124.0643 60.9134 39.8141 177.6568 140 D 4.4410 8.3598 119.6591 56.5319 39.0607 177.7725 141 R 4.1132 7.7392 116.3048 56.9138 30.2010 176.0538 142 L 4.6828 7.7043 120.1671 53.2861 44.2668 176.2397 143 K 4.6534 8.1271 120.6654 52.5391 34.8107 177.5088 144 R 4.2674 8.6027 126.7461 55.7988 31.1525 177.0318 145 K 4.2309 8.5345 117.9290 54.9444 32.1987 171.9016 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 17 S 8.18 4.46 0.00 4.03 4.12 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 0.00 0.00 0.00 18 G 8.40 3.52 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 0.00 19 L 8.60 3.93 0.00 1.76 1.67 0.91 0.99 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 20 E 8.28 3.99 0.00 2.09 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 2.42 2.40 0.00 21 D 7.71 4.31 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 22 K 8.00 3.89 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 23 V 7.70 3.48 2.11 0.00 0.00 0.00 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 0.88 0.00 0.00 24 S 8.44 3.75 0.00 3.92 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 25 K 8.66 4.07 0.00 1.76 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 Q 8.16 4.10 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 27 L 7.80 4.00 0.00 1.72 1.87 0.33 0.84 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 28 E 8.18 4.09 0.00 2.12 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 0.00 2.43 2.66 0.00 29 S 8.01 4.32 0.00 4.04 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 30 K 7.67 4.49 0.00 1.89 1.88 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.59 7.81 31 G 8.23 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 32 I 8.29 4.23 2.00 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 1.38 0.94 1.00 0.00 0.00 33 K 8.56 4.28 0.00 1.78 1.59 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 0.99 7.81 34 F 7.69 5.14 0.00 3.13 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 35 E 8.93 4.72 0.00 2.20 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 2.31 2.41 0.00 36 Y 8.49 4.77 0.00 3.41 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 37 E 8.50 4.04 0.00 1.72 1.71 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 1.59 1.47 0.00 38 E 7.59 3.91 0.00 1.89 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 2.27 1.47 0.00 39 W 7.83 4.94 0.00 3.30 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 40 K 8.86 4.59 0.00 1.80 1.77 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 41 V 8.26 4.34 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 0.88 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.64 0.00 2.12 1.97 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 43 Y 7.62 4.78 0.00 3.02 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 44 V 8.31 4.23 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 0.84 0.00 0.00 0.91 0.00 0.00 45 I 8.05 4.37 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.74 0.95 0.00 0.00 46 P 0.00 4.33 0.00 2.18 2.09 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 47 A 8.36 4.22 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 48 S 8.33 4.81 0.00 3.92 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 49 N 8.38 4.89 0.00 2.68 2.75 0.00 0.00 6.74 8.16 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 50 H 8.30 4.92 0.00 3.07 3.22 0.00 5.84 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 51 T 8.20 4.79 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 1.22 0.00 0.00 52 Y 8.39 4.80 0.00 2.75 2.80 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 53 T 8.02 4.03 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 1.09 0.00 0.00 54 P 0.00 4.68 0.00 2.16 2.00 0.00 3.38 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 1.16 1.14 0.00 55 D 9.13 4.32 0.00 2.87 2.27 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 56 F 8.63 4.95 0.00 3.11 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 57 L 8.48 4.79 0.00 1.34 1.48 -0.36 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.59 4.46 0.00 1.93 1.70 0.92 0.85 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 59 P 0.00 4.19 0.00 2.03 2.14 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 60 N 8.16 4.59 0.00 2.97 3.05 0.00 0.00 6.29 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 61 G 8.36 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 62 I 7.37 4.31 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.87 0.00 0.00 63 F 9.09 5.05 0.00 3.23 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 64 V 9.37 4.97 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 1.21 0.00 0.00 1.15 0.00 0.00 65 E 9.50 5.22 0.00 2.30 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 2.23 0.00 66 T 9.47 5.03 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 1.43 0.00 0.00 67 K 8.78 4.31 0.00 1.05 1.53 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.14 0.91 7.81 68 G 9.14 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 0.00 0.00 0.00 69 L 9.15 4.35 0.00 1.75 1.77 1.03 0.87 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 70 W 9.09 4.79 0.00 2.62 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 0.00 0.00 0.00 71 E 8.33 4.11 0.00 2.02 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 0.00 2.43 2.34 0.00 72 S 8.70 3.74 0.00 3.79 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 73 D 7.91 4.22 0.00 2.72 2.62 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 74 D 7.82 4.28 0.00 2.72 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 75 R 7.03 3.23 0.00 1.31 0.97 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 7.73 3.95 0.00 1.90 1.80 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.49 7.81 77 K 8.31 3.74 0.00 1.76 1.86 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.37 7.81 78 H 8.17 3.97 0.00 3.69 3.55 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.11 4.04 0.00 1.84 1.71 0.76 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.34 3.97 0.00 1.77 1.69 0.89 0.89 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 81 I 8.39 3.88 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.96 0.00 0.00 82 R 7.99 3.92 0.00 1.85 2.12 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 83 E 7.89 4.06 0.00 2.11 2.11 0.00 0.00 0.00 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 2.49 0.00 84 Q 8.36 4.17 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 85 H 8.54 4.98 0.00 3.15 3.30 0.00 5.62 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 86 P 0.00 4.41 0.00 2.04 2.12 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.34 0.00 87 E 8.05 4.25 0.00 2.07 2.07 0.00 0.00 0.00 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 2.27 0.00 88 L 7.66 4.27 0.00 1.83 1.59 0.70 0.93 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 89 D 8.69 4.81 0.00 2.70 2.58 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 90 I 8.26 5.01 1.96 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 1.33 0.80 1.10 0.00 0.00 91 R 9.08 4.83 0.00 1.42 1.47 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.37 0.00 92 I 8.53 4.87 1.39 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.69 -0.56 0.00 0.00 93 V 8.55 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 0.95 0.00 0.00 0.93 0.00 0.00 94 F 9.27 5.38 0.00 3.17 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 95 S 8.89 4.23 0.00 3.90 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 96 S 8.06 4.41 0.00 3.84 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 97 S 9.63 3.98 0.00 3.80 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 98 R 7.44 3.91 0.00 1.74 1.96 0.00 3.19 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 99 T 6.90 3.59 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 0.88 0.00 0.00 100 K 7.95 4.42 0.00 1.57 1.50 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.38 7.81 101 L 8.26 4.19 0.00 1.07 1.63 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.15 4.78 0.00 3.09 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 0.00 103 K 7.98 4.03 0.00 1.82 1.49 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.07 7.81 104 G 8.65 4.22 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 0.00 105 S 7.71 4.12 0.00 2.72 3.26 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 0.00 106 P 0.00 4.56 0.00 2.18 2.12 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 107 T 7.59 4.25 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 1.27 0.00 0.00 108 S 8.06 5.03 0.00 4.11 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 0.00 109 Y 8.19 4.60 0.00 2.59 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 0.00 0.00 0.00 0.00 110 G 7.95 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 0.00 0.00 0.00 111 E 7.83 4.28 0.00 2.23 2.04 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 2.35 2.17 0.00 112 F 8.63 4.14 0.00 3.11 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 8.65 4.28 0.00 2.72 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.60 4.14 0.00 2.17 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 0.00 2.72 2.76 0.00 115 K 8.22 3.87 0.00 1.62 1.76 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.00 1.31 7.81 116 H 7.58 4.73 0.00 3.01 3.21 0.00 6.01 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.69 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 0.00 118 I 8.08 4.45 2.09 0.00 0.00 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 1.37 0.78 1.03 0.00 0.00 119 K 8.67 4.52 0.00 1.45 1.42 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.39 7.81 120 F 8.73 6.21 0.00 3.52 3.26 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 0.00 121 A 8.67 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.37 5.41 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 9.53 3.57 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 124 L 8.32 4.59 0.00 1.38 1.36 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.91 3.54 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.33 0.85 0.00 0.00 126 P 0.00 3.92 0.00 1.12 1.47 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.33 0.00 127 A 8.62 3.94 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 0.00 128 E 8.11 4.12 0.00 2.18 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 2.41 2.46 0.00 129 W 7.96 4.52 0.00 3.41 3.18 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 0.00 130 I 7.33 3.83 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.49 0.91 0.00 0.00 131 K 7.58 4.35 0.00 1.92 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.64 7.81 132 E 7.60 4.18 0.00 2.08 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 2.38 2.54 0.00 133 P 0.00 4.28 0.00 2.18 2.07 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 134 K 8.64 4.12 0.00 1.79 1.80 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.49 7.81 135 K 8.59 4.83 0.00 1.76 1.71 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.34 7.81 136 E 8.79 4.26 0.00 1.78 1.78 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 2.23 1.88 0.00 137 V 8.25 4.19 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 0.07 0.00 0.00 0.81 0.00 0.00 138 P 0.00 4.68 0.00 2.23 2.19 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 139 F 8.11 4.24 0.00 3.23 3.17 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 0.00 140 D 8.36 4.44 0.00 2.82 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 0.00 141 R 7.74 4.11 0.00 1.89 2.03 0.00 3.14 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 142 L 7.70 4.68 0.00 1.85 1.63 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.13 4.65 0.00 1.72 1.54 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.94 7.81 144 R 8.60 4.27 0.00 1.79 1.93 0.00 3.16 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 145 K 8.53 4.23 0.00 1.79 1.53 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 0.97 7.81