NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2286 8.1685 122.0502 56.2899 34.0498 174.0373 2 A 4.9205 8.4234 129.3869 49.9295 19.8640 175.8723 3 F 4.3842 9.8742 123.1202 57.9790 40.4737 173.9679 4 E 4.3255 9.1959 121.4247 55.5903 30.9935 177.0704 5 R 3.3126 8.9495 122.5663 60.5155 29.9826 179.5999 6 C 4.3447 8.0302 115.2451 59.6571 34.4517 175.6641 7 E 3.8784 8.0988 120.7851 59.1358 29.2367 178.4796 8 L 3.6082 8.0698 120.2067 57.9088 42.0747 178.6625 9 A 3.9248 7.8277 120.7568 55.3725 18.2343 179.9012 10 R 3.9085 8.0045 116.5013 59.5347 30.1825 179.4510 11 T 3.8487 7.7533 115.1733 66.6392 68.4867 176.7984 12 L 3.8895 8.0713 121.1815 57.3455 41.5740 179.5036 13 K 3.8706 7.9735 119.7161 59.6126 31.9994 178.8717 14 R 3.9406 7.9309 117.5886 59.0433 29.9614 177.3952 15 L 4.4079 7.3832 115.9658 54.0031 41.7218 176.8448 16 G 3.8760 7.8641 106.7383 46.9420 0.0000 175.2924 17 M 3.8609 7.8029 121.6798 56.7443 32.2863 175.5333 18 D 4.6889 7.9705 117.2495 56.5591 40.7446 175.6058 19 G 3.9706 9.5337 115.6946 45.1876 0.0000 171.0436 20 Y 4.2557 8.4448 122.0529 58.7145 38.9731 176.3516 21 R 3.6697 8.9809 125.9946 57.2989 27.7706 177.1564 22 G 3.8221 8.1698 103.4072 45.7446 0.0000 174.0099 23 I 4.1040 7.5897 121.8976 59.0632 38.0509 175.9991 24 S 4.6907 8.3134 120.1485 57.5998 64.1456 174.9067 25 L 4.2008 8.7705 122.6559 58.5211 41.7368 179.0110 26 A 4.1866 8.2428 120.1410 55.6364 18.2455 179.2454 27 N 4.5279 8.1647 114.6865 56.1855 38.5337 177.8103 28 W 4.2615 8.1050 120.0590 59.9014 29.1739 178.3753 29 M 4.2081 8.4629 118.9107 58.4672 31.5406 177.9128 30 C 3.2015 8.2241 118.6785 59.1073 44.9542 175.3712 31 L 3.9919 8.1727 121.6447 58.2941 41.7588 178.7890 32 A 4.0542 8.4507 121.0148 54.8757 18.2532 179.4267 33 K 2.6483 7.9638 118.0638 59.2730 32.0059 179.0960 34 W 4.3147 7.4209 116.8076 59.0444 29.0675 178.3405 35 E 4.3410 8.2037 118.5799 58.5017 29.3813 177.6399 36 S 4.4991 7.8269 109.2817 56.6695 64.6012 174.4683 37 G 3.6762 8.3494 108.6000 46.9027 0.0000 173.5450 38 Y 3.6341 7.5581 113.6271 58.5624 34.9026 168.3452 39 N 5.3549 7.6528 119.0508 51.9962 40.3496 175.9093 40 T 4.1235 8.8117 116.8777 64.0405 69.1931 175.9021 41 R 4.4079 8.1981 116.7991 55.7282 30.0324 176.1520 42 A 4.3273 7.7102 121.8962 52.6916 19.2397 177.0952 43 T 5.0192 8.4458 111.7854 59.9238 72.4857 173.1303 44 N 4.8684 8.8908 121.9924 52.2816 42.2030 172.3157 45 Y 4.6480 8.7736 128.0786 57.1134 40.3058 174.5881 46 N 4.5333 8.4851 124.8239 51.2736 38.9682 175.2356 47 A 3.6810 8.4874 127.8567 55.0627 18.7708 179.0665 48 G 3.7440 8.0945 103.6802 48.5270 0.0000 173.9686 49 D 4.6414 7.7849 116.5792 51.6405 39.9695 176.0972 50 R 3.6694 7.6299 117.7054 57.7058 28.1355 175.7686 51 S 4.9308 7.7258 110.6730 56.9659 66.8255 172.5185 52 T 5.0742 8.7758 115.5588 61.9547 72.7308 172.9179 53 D 5.4361 9.0925 125.3004 53.1960 43.1845 175.1340 54 Y 5.0948 9.1718 120.4875 57.5357 42.0382 177.0305 55 G 4.5814 9.1368 111.5216 45.4151 0.0000 173.6604 56 I 3.9763 8.1575 116.7547 62.8886 37.8880 176.9647 57 F 4.6936 8.0399 115.6493 56.3518 39.7888 175.4341 58 Q 3.6079 7.8662 118.9625 57.1199 26.2642 173.1936 59 I 4.5160 8.5113 119.5226 60.6781 39.4006 176.2442 60 N 5.2964 9.1951 126.3579 53.3565 39.7086 175.7002 61 S 4.7988 9.0608 120.7897 60.2249 63.2409 175.4536 62 R 3.7582 8.5968 122.2646 58.6363 30.4251 177.6675 63 Y 4.0639 7.6839 114.6833 57.7838 40.4432 176.7985 64 W 5.2660 8.2404 118.5970 57.1691 31.5214 173.8642 65 C 5.5145 8.2108 112.7397 53.6322 45.8735 172.2469 66 N 5.1930 9.1336 119.2877 51.9224 40.6258 174.5778 67 D 4.8661 8.6420 123.1423 52.1965 40.6801 177.6710 68 G 4.1356 8.4407 110.9202 46.1039 0.0000 174.8689 69 K 4.3696 8.0586 116.2266 56.7120 32.9278 176.0598 70 T 4.5684 7.6620 117.0006 61.6729 69.3475 173.0618 71 P 4.3287 0.0000 0.0000 63.1853 31.9843 176.0907 72 G 3.8049 8.6113 106.1080 46.2257 0.0000 173.3738 73 A 4.2457 7.2851 118.6909 51.5113 19.2993 177.8352 74 V 4.3718 8.6055 120.4353 61.3097 35.4657 175.1523 75 N 4.7451 8.3850 119.9392 52.7597 39.4053 173.4235 76 A 4.2781 9.2623 127.6668 54.3492 19.0641 178.5084 77 A 4.1189 7.9755 115.5043 53.0776 19.0958 178.5238 78 H 4.1065 8.4312 109.8573 56.5909 25.9004 174.5729 79 L 4.5761 7.6144 119.8188 53.1686 43.7927 175.1750 80 S 4.8552 8.1231 113.8816 57.5614 63.4009 175.6411 81 C 4.1326 8.7857 124.9246 59.7510 40.2028 176.3964 82 S 3.8883 7.6158 114.7228 61.2454 61.6967 175.9449 83 A 4.0952 7.6955 122.4225 54.5137 18.0944 177.9704 84 L 4.4170 7.4950 115.3979 55.1715 41.8167 177.1024 85 L 4.8967 7.7435 117.5851 54.5655 42.0863 176.6460 86 Q 4.3992 7.7496 117.8336 55.2548 29.6291 175.9162 87 D 4.4105 8.5104 119.4998 56.9211 41.1559 176.6546 88 N 4.6379 8.0229 118.1889 52.9398 39.2464 174.6365 89 I 4.2400 8.4403 118.9277 61.1254 37.9961 177.0432 90 A 3.9304 8.4675 125.1255 55.9987 18.1409 180.1381 91 D 4.3013 8.0778 116.5121 57.3544 40.9507 178.6818 92 A 4.0918 7.9796 120.9595 55.0813 18.4514 179.7518 93 V 3.3286 8.1351 116.8715 65.9843 31.5975 178.1586 94 A 3.8498 8.0163 120.3642 54.9495 18.1731 179.5592 95 A 3.9092 8.2186 119.2087 55.2476 18.4943 179.7065 96 A 4.0207 8.0356 119.3871 55.1979 18.0939 180.0380 97 K 3.7174 7.5415 116.1655 59.4490 32.3974 179.2200 98 R 4.0187 7.6826 118.5986 59.2726 29.5890 178.5974 99 V 2.0000 7.2449 117.9524 65.4640 31.4872 177.6925 100 V 3.9937 7.4772 109.1375 62.1356 31.3594 178.0365 101 R 4.1908 7.5979 117.9529 57.5129 30.4877 176.6861 102 D 4.6708 7.2218 118.2608 52.8434 41.5613 175.4982 103 P 4.1624 0.0000 0.0000 65.8771 31.3876 177.5004 104 Q 3.9963 8.1797 119.6483 56.6518 30.5521 176.6957 105 G 3.6315 8.1025 107.4696 47.3026 0.0000 176.3482 106 I 3.7533 7.7589 121.6323 62.9837 37.9701 177.5605 107 R 4.3533 7.4336 117.3790 58.0274 29.9652 177.5241 108 A 3.9425 7.6405 120.7008 54.0365 18.7938 177.5902 109 W 4.7732 8.1290 116.6463 55.4093 30.1804 177.5751 110 V 3.7501 8.7468 123.5324 65.9838 31.0213 177.6915 111 A 4.0862 8.3014 120.1449 54.7165 18.1059 179.2581 112 W 3.9945 8.3595 126.7838 60.7214 30.5750 178.5052 113 R 3.7019 8.0998 116.6085 59.1133 29.6439 178.3912 114 N 4.4430 7.9121 115.6372 55.3938 38.6717 176.2360 115 R 4.3136 7.3733 112.2303 55.5916 30.0008 174.8617 116 C 4.5351 7.3542 115.4285 58.4093 42.7248 174.2821 117 Q 3.1842 6.6526 119.6628 57.2833 28.7222 175.6443 118 N 4.2054 8.6426 121.0147 54.4809 36.2844 173.8915 119 R 4.5840 7.2941 112.9655 54.1201 34.1056 175.0176 120 D 4.5870 8.5713 119.1384 54.0712 41.0682 176.1808 121 V 4.6074 8.3088 119.1702 61.3755 32.5617 177.9628 122 R 4.0233 8.1538 121.6622 59.4960 29.5509 178.3257 123 Q 3.9498 8.1277 116.0084 59.7674 28.2020 178.3741 124 Y 4.3383 7.9554 117.3019 59.7485 38.3780 176.6539 125 V 4.3778 7.8023 111.0457 60.6235 33.3698 175.3404 126 Q 4.1685 7.9517 122.0364 57.2960 29.2656 176.2722 127 G 3.9822 8.9343 112.7263 45.9102 0.0000 174.5379 128 C 4.4064 8.0033 116.0692 57.0855 40.6580 174.0809 129 G 3.8082 8.2590 107.0124 46.7364 0.0000 173.9364 130 V 4.0060 7.8472 117.9653 61.0794 32.0674 175.8772 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 1 K 8.17 4.23 0.00 1.85 1.64 0.00 1.28 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.16 7.81 2 A 8.42 4.92 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 3 F 9.87 4.38 0.00 2.97 2.83 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 4 E 9.20 4.33 0.00 1.94 1.85 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 2.29 2.22 0.00 5 R 8.95 3.31 0.00 1.90 1.93 0.00 3.40 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 6 C 8.03 4.34 0.00 2.99 3.11 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 0.00 0.00 0.00 7 E 8.10 3.88 0.00 2.05 2.20 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 2.62 2.42 0.00 8 L 8.07 3.61 0.00 1.37 1.37 -0.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.83 3.92 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 10 R 8.00 3.91 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 T 7.75 3.85 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 1.18 0.00 0.00 12 L 8.07 3.89 0.00 1.73 1.58 0.96 0.76 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 13 K 7.97 3.87 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.93 3.94 0.00 2.01 2.04 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.38 4.41 0.00 1.54 1.55 0.87 0.87 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 16 G 7.86 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 17 M 7.80 3.86 0.00 1.31 1.96 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 18 D 7.97 4.69 0.00 2.67 2.69 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 19 G 9.53 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 20 Y 8.44 4.26 0.00 3.33 3.20 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 21 R 8.98 3.67 0.00 1.96 1.87 0.00 3.29 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.47 0.00 22 G 8.17 3.82 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 0.00 0.00 0.00 23 I 7.59 4.10 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.75 -0.26 0.00 0.00 24 S 8.31 4.69 0.00 4.08 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 0.00 25 L 8.77 4.20 0.00 2.04 1.81 0.99 1.60 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 26 A 8.24 4.19 1.53 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 0.00 0.00 27 N 8.16 4.53 0.00 2.74 2.75 0.00 0.00 7.02 8.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.11 4.26 0.00 3.54 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 8.46 4.21 0.00 2.22 2.41 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 2.71 2.93 0.00 30 C 8.22 3.20 0.00 2.79 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 31 L 8.17 3.99 0.00 1.81 1.87 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.45 4.05 1.37 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 33 K 7.96 2.65 0.00 1.37 1.52 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.68 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.83 0.21 7.81 34 W 7.42 4.31 0.00 3.34 3.24 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 35 E 8.20 4.34 0.00 1.99 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 2.52 2.32 0.00 36 S 7.83 4.50 0.00 4.05 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 37 G 8.35 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 0.00 0.00 0.00 38 Y 7.56 3.63 0.00 3.21 2.95 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 39 N 7.65 5.35 0.00 2.78 2.80 0.00 0.00 7.00 8.56 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 40 T 8.81 4.12 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 1.46 0.00 0.00 41 R 8.20 4.41 0.00 1.99 2.10 0.00 3.08 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 42 A 7.71 4.33 1.36 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 0.00 0.00 43 T 8.45 5.02 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 1.38 0.00 0.00 44 N 8.89 4.87 0.00 2.83 2.79 0.00 0.00 6.78 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 45 Y 8.77 4.65 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.49 4.53 0.00 2.55 2.60 0.00 0.00 6.55 6.97 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 47 A 8.49 3.68 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 48 G 8.09 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 0.00 0.00 0.00 49 D 7.78 4.64 0.00 2.73 2.72 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 0.00 0.00 0.00 50 R 7.63 3.67 0.00 2.02 2.18 0.00 3.13 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 51 S 7.73 4.93 0.00 3.83 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 52 T 8.78 5.07 4.06 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 0.61 0.00 0.00 53 D 9.09 5.44 0.00 2.71 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 54 Y 9.17 5.09 0.00 2.92 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 55 G 9.14 4.58 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 56 I 8.16 3.98 1.71 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.81 0.29 0.00 0.00 57 F 8.04 4.69 0.00 3.18 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 58 Q 7.87 3.61 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.77 0.00 59 I 8.51 4.52 2.14 0.00 0.00 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 1.42 1.14 1.17 0.00 0.00 60 N 9.20 5.30 0.00 3.07 3.00 0.00 0.00 6.97 7.63 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 61 S 9.06 4.80 0.00 4.07 4.39 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 62 R 8.60 3.76 0.00 1.57 1.38 0.00 2.53 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 63 Y 7.68 4.06 0.00 1.76 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 0.00 0.00 0.00 64 W 8.24 5.27 0.00 3.41 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 65 C 8.21 5.51 0.00 2.95 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 66 N 9.13 5.19 0.00 2.83 2.70 0.00 0.00 7.03 8.23 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 67 D 8.64 4.87 0.00 2.88 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 68 G 8.44 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 69 K 8.06 4.37 0.00 1.93 1.94 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 70 T 7.66 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 1.14 0.00 0.00 71 P 0.00 4.33 0.00 2.15 1.96 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 72 G 8.61 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 0.00 0.00 0.00 73 A 7.29 4.25 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 74 V 8.61 4.37 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 75 N 8.39 4.75 0.00 2.64 2.53 0.00 0.00 6.85 7.96 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 76 A 9.26 4.28 1.12 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 0.00 0.00 77 A 7.98 4.12 1.62 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 78 H 8.43 4.11 0.00 3.38 3.53 0.00 5.88 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.61 4.58 0.00 1.75 1.61 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.12 4.86 0.00 3.83 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 81 C 8.79 4.13 0.00 2.34 1.38 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 82 S 7.62 3.89 0.00 3.82 3.81 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 83 A 7.70 4.10 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 84 L 7.50 4.42 0.00 1.87 1.83 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.74 4.90 0.00 1.78 1.71 1.06 0.89 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 86 Q 7.75 4.40 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 87 D 8.51 4.41 0.00 2.65 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 88 N 8.02 4.64 0.00 2.70 2.75 0.00 0.00 6.97 7.94 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 89 I 8.44 4.24 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.40 0.91 0.00 0.00 90 A 8.47 3.93 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 91 D 8.08 4.30 0.00 2.72 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 92 A 7.98 4.09 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 93 V 8.14 3.33 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 0.71 0.00 0.00 0.91 0.00 0.00 94 A 8.02 3.85 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 95 A 8.22 3.91 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 96 A 8.04 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.54 3.72 0.00 1.58 1.33 0.00 1.29 0.00 0.00 0.87 0.00 0.00 2.28 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.93 7.81 98 R 7.68 4.02 0.00 1.93 2.04 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 99 V 7.24 2.00 1.79 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 -0.17 0.00 0.00 -0.43 0.00 0.00 100 V 7.48 3.99 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 1.11 0.00 0.00 1.39 0.00 0.00 101 R 7.60 4.19 0.00 2.06 2.04 0.00 3.24 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 102 D 7.22 4.67 0.00 3.00 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 0.00 103 P 0.00 4.16 0.00 2.15 2.20 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 104 Q 8.18 4.00 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.96 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 105 G 8.10 3.63 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 0.00 0.00 0.00 106 I 7.76 3.75 1.05 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.84 -0.67 0.00 0.00 107 R 7.43 4.35 0.00 2.06 2.06 0.00 3.26 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.62 0.00 108 A 7.64 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.13 4.77 0.00 3.60 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 0.00 110 V 8.75 3.75 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 1.10 0.00 0.00 1.01 0.00 0.00 111 A 8.30 4.09 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 0.00 112 W 8.36 3.99 0.00 3.54 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 0.00 113 R 8.10 3.70 0.00 2.04 1.98 0.00 3.59 0.00 0.00 3.59 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 114 N 7.91 4.44 0.00 2.58 2.72 0.00 0.00 6.83 7.63 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 0.00 115 R 7.37 4.31 0.00 1.12 1.32 0.00 2.57 0.00 0.00 2.70 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.00 116 C 7.35 4.54 0.00 1.65 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 0.00 117 Q 6.65 3.18 0.00 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 118 N 8.64 4.21 0.00 2.79 2.82 0.00 0.00 6.82 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.29 4.58 0.00 1.91 1.78 0.00 3.21 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 120 D 8.57 4.59 0.00 2.63 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 0.00 121 V 8.31 4.61 2.45 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 0.93 0.00 0.00 1.08 0.00 0.00 122 R 8.15 4.02 0.00 1.87 2.19 0.00 3.17 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 123 Q 8.13 3.95 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 1.91 1.39 0.00 124 Y 7.96 4.34 0.00 3.21 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 0.00 125 V 7.80 4.38 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 0.99 0.00 0.00 1.07 0.00 0.00 126 Q 7.95 4.17 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 127 G 8.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.00 4.41 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.26 3.81 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 0.00 0.00 0.00 130 V 7.85 4.01 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 0.79 0.00 0.00 0.96 0.00 0.00