NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4105 8.2893 120.3486 55.3854 33.1246 174.6457 2 N 4.6914 8.5925 123.9944 51.2845 39.0230 172.9773 3 I 4.5868 8.8149 121.2719 59.5665 41.8393 176.2735 4 I 4.3630 8.3363 124.0530 59.6056 38.5114 175.1508 5 K 4.4391 8.6161 124.9237 54.4102 33.9600 176.2187 6 A 4.5572 8.3931 126.5222 50.8265 20.8024 175.0584 7 N 5.0496 8.2355 117.0887 51.9533 41.4341 174.9584 8 V 3.8817 8.1687 114.2014 62.6033 32.3323 176.8391 9 A 4.2644 8.0870 123.5434 52.1309 18.6994 178.0119 10 A 4.6329 8.3071 122.4180 51.2391 21.5306 174.1117 11 P 4.6031 0.0000 0.0000 64.8738 32.1695 178.9296 12 D 4.7161 8.0728 115.3390 54.3147 40.5102 175.7806 13 A 4.6297 7.6245 124.6380 51.8057 20.2616 178.2739 14 R 4.8234 9.4972 120.6539 55.1439 32.6667 175.9163 15 V 4.9683 8.9089 124.4764 59.9979 34.8511 173.9659 16 A 4.9071 8.5263 128.3027 50.0565 21.5555 175.1775 17 I 4.7901 8.6717 123.8025 59.5633 39.4616 174.6711 18 T 4.7976 8.5419 117.7377 59.9623 70.8824 173.4666 19 I 5.2060 8.3004 126.2850 58.2010 40.6665 174.4317 20 A 5.0668 8.4458 127.9571 51.2439 19.1234 177.9684 21 R 4.4177 9.4091 119.9836 58.6031 30.1840 177.0501 22 F 4.6590 8.1262 121.2444 59.9569 39.6799 174.3504 23 N 4.6658 9.8710 123.8342 54.4852 35.6488 176.0770 24 Q 4.1522 8.3932 120.4159 59.4508 28.0360 178.0002 25 F 3.9764 8.4914 121.5110 61.2214 39.4307 176.4352 26 I 4.1968 8.2912 118.6831 63.7565 37.1470 177.8311 27 N 4.3926 8.2629 116.6150 56.2332 38.2903 177.0142 28 D 4.4928 8.6762 120.8658 57.5632 40.9912 178.7484 29 S 4.0685 7.9485 113.0836 60.9981 62.4116 175.3895 30 L 4.0590 7.8212 123.2715 58.7368 41.6442 178.3049 31 L 3.8573 8.3385 120.2560 57.6934 41.9507 178.5910 32 D 4.4998 8.5248 118.4868 57.3627 40.9408 179.8061 33 G 3.5576 8.1904 105.7378 47.7860 0.0000 175.2450 34 A 3.9339 7.9189 123.4541 54.7189 18.4422 179.3051 35 V 3.4494 7.9329 116.5234 66.3211 31.5762 177.3481 36 D 4.3179 8.0840 117.1271 57.7892 40.9470 177.7809 37 A 3.9146 8.2955 120.9170 55.7647 18.3503 179.0525 38 L 3.8617 8.5024 116.4723 59.2555 41.8576 179.8351 39 T 4.2018 8.2418 110.9534 64.0375 68.5988 176.2834 40 R 3.8707 8.2161 123.9542 58.1906 30.7109 177.9911 41 I 4.1002 8.0069 117.1990 63.4148 37.8699 177.1441 42 G 3.7054 7.9300 106.5306 45.3703 0.0000 174.1064 43 Q 3.7866 8.3380 120.1272 56.3953 27.9870 172.8432 44 V 3.6935 7.4992 116.9284 62.2602 32.1712 175.1829 45 K 4.3201 8.5619 128.7640 56.2218 32.6158 176.6386 46 D 4.6598 8.7997 124.2148 54.0475 39.1532 176.1589 47 D 4.8089 7.9822 117.1949 53.7176 40.1224 176.2909 48 N 4.7221 8.4841 117.7344 53.6182 39.3565 174.0621 49 I 4.9195 7.5898 120.2606 60.2041 38.4794 175.1590 50 T 4.6976 8.8137 117.4052 59.6992 71.8204 173.0203 51 V 4.6132 8.4168 123.9359 61.0587 34.0501 174.5842 52 V 4.2912 8.9726 128.9275 60.7556 33.6949 174.5724 53 W 4.8563 8.9694 129.1550 56.6513 29.4323 176.5441 54 V 4.3331 8.6287 119.1229 59.1542 33.5890 174.7970 55 P 4.3411 0.0000 0.0000 65.0250 31.3745 177.0865 56 G 4.4111 7.9693 108.4023 42.8936 0.0000 174.0984 57 A 4.0612 8.4827 120.5711 54.7962 18.1008 179.2542 58 Y 4.2076 8.1566 117.0232 60.5460 39.2555 177.3001 59 E 4.1482 8.2092 119.2343 58.0143 29.6714 178.5405 60 L 3.8862 7.5410 119.4427 58.1678 41.6109 177.0001 61 P 4.1583 0.0000 0.0000 64.9358 31.1037 177.9355 62 L 3.8891 7.7102 117.8950 58.4991 42.3057 179.2546 63 A 3.9900 7.7974 120.0246 55.6681 18.2837 179.8450 64 T 3.8340 8.2474 108.4059 64.5345 68.6923 176.1251 65 E 3.8448 8.9922 122.8495 59.1744 29.6017 178.2683 66 A 4.0096 8.0368 120.5846 55.6318 18.1976 179.6023 67 L 4.0820 7.5808 114.7967 57.9035 41.9698 179.5097 68 A 4.2170 8.3989 120.9711 55.1759 18.2073 179.7938 69 K 3.9203 8.1733 116.1526 59.6640 32.1419 178.9307 70 S 4.2031 8.1220 112.9551 59.5460 62.2390 175.8599 71 G 3.9717 8.3838 108.1193 45.5287 0.0000 175.1916 72 K 3.6793 7.7396 120.2050 58.1990 32.3428 176.1987 73 Y 5.0295 6.9493 115.1765 56.2381 40.5588 175.3551 74 D 4.7173 9.1008 122.3108 56.0631 41.8244 176.4260 75 A 4.5374 7.3899 117.3781 51.2129 22.5010 175.0688 76 V 4.7485 8.2272 120.0393 61.0382 34.5744 174.4920 77 V 4.3810 8.7250 128.2582 61.4621 33.4346 174.1599 78 A 4.9455 8.6021 130.2993 49.6951 20.8046 175.1486 79 L 5.3416 7.9999 122.9997 52.6345 44.4902 176.3978 80 G 4.2022 7.6530 108.3217 46.0012 0.0000 171.8611 81 T 5.0656 8.5548 116.2171 61.5011 71.9433 174.3080 82 V 4.2206 9.0390 125.2623 61.3280 34.0365 173.8640 83 I 4.6771 8.1738 128.5905 59.6184 38.6532 175.9742 84 R 3.6511 8.4471 127.7293 56.5322 30.2788 176.3918 85 G 4.4135 8.3671 116.1295 44.4116 0.0000 173.0111 86 G 3.6512 8.7732 107.7496 47.3787 0.0000 173.3131 87 T 4.5150 7.5944 108.4461 59.7199 71.5009 173.6033 88 A 4.4527 8.3657 121.3324 52.7347 18.8679 178.6205 89 H 4.2765 8.2860 119.8405 60.0980 29.7087 176.8795 90 F 4.0445 8.4783 121.9533 61.5271 38.9907 176.5842 91 E 3.5816 7.9789 118.3804 59.5447 29.3209 178.3973 92 Y 4.3404 7.3944 115.8324 60.8161 38.2455 177.3994 93 V 3.7008 7.6965 119.3930 65.7621 31.6039 177.7633 94 A 4.0895 7.8641 120.3368 55.2197 18.1188 179.6013 95 G 3.6253 8.0879 104.8200 47.7042 0.0000 176.0438 96 G 3.8587 8.7322 108.4319 45.9064 0.0000 174.7345 97 A 4.2807 7.8474 122.5711 54.2647 19.7427 179.1949 98 S 4.1258 8.2035 111.6899 61.7603 62.3892 176.2292 99 N 4.4382 8.4897 119.4407 55.9499 38.3583 177.4060 100 G 3.7287 7.7025 106.5970 48.0407 0.0000 175.4656 101 L 3.9932 7.8896 121.5653 57.2808 41.8382 179.5838 102 A 3.9845 8.0392 120.5422 55.0926 18.2783 179.5532 103 S 3.9507 8.2909 111.7250 61.5214 62.4549 176.1540 104 V 3.5503 7.7676 120.7004 66.2648 31.0753 177.7099 105 A 4.3166 7.8251 121.1901 54.8036 18.0059 179.4173 106 Q 3.8815 7.7045 116.4642 59.2307 29.1440 177.7776 107 D 4.5375 8.0389 119.3556 56.8847 41.2518 178.4464 108 S 4.3625 8.3491 113.2206 58.6571 63.4914 175.6077 109 G 3.8857 8.1850 109.6645 45.6679 0.0000 173.6607 110 V 3.9977 7.5764 120.9863 61.4993 33.1044 173.6018 111 P 4.4863 0.0000 0.0000 62.6908 32.4760 175.1530 112 V 4.9078 8.3883 123.6365 61.0071 34.0265 174.2772 113 A 4.3914 8.9201 130.5920 51.0771 20.1746 176.3630 114 F 4.7689 9.0043 126.9048 56.3305 38.2655 175.8434 115 G 3.9382 8.0664 117.6188 44.8302 0.0000 170.9083 116 V 4.5624 6.0520 117.4443 60.5828 33.9392 176.0921 117 L 4.2489 8.7595 129.5064 55.1623 42.7474 176.6586 118 T 4.8926 8.5150 112.9631 59.8821 68.9199 172.6189 119 T 4.5990 8.6618 121.4050 60.9645 71.9537 175.2497 120 E 4.0941 9.8491 120.9634 57.4355 30.3927 177.3047 121 S 4.6976 7.5776 111.9861 55.5934 67.6019 174.8045 122 I 3.6724 8.2338 123.2194 64.2914 36.6049 177.9396 123 E 3.9154 8.1979 118.9744 59.7625 29.7460 178.6371 124 Q 4.2873 8.1984 117.3430 58.8978 28.8538 178.6065 125 A 4.0316 7.7703 121.8975 55.4185 18.2360 179.7519 126 I 3.7643 7.9190 118.1494 64.6031 37.1121 178.5453 127 E 4.5402 8.0748 120.3495 58.1227 29.2971 178.4324 128 R 4.5332 7.8988 115.5288 55.6754 30.4759 176.7391 129 A 4.7709 7.2120 121.7779 52.6864 19.4912 177.0137 130 G 4.4540 7.8312 108.0496 48.1771 0.0000 175.5248 131 T 4.6422 7.5157 115.5177 60.1604 68.7042 175.6379 132 K 3.7883 9.2568 117.1622 59.3454 31.7195 177.9231 133 A 4.5700 7.7688 119.3218 52.0537 20.0543 178.8888 134 G 3.7415 8.0984 110.6641 47.2965 0.0000 173.8578 135 N 5.2575 8.2425 117.8706 50.9367 41.0382 175.5185 136 K 3.9860 8.8988 129.0072 59.4372 32.1528 178.6973 137 G 4.1039 8.2687 107.3611 47.3698 0.0000 175.4562 138 A 4.0857 7.8592 122.9419 54.2151 18.4872 179.2975 139 E 3.8676 8.3711 118.0097 59.3965 29.7560 178.8624 140 A 4.0643 8.6846 122.3886 54.4067 18.3699 179.4681 141 A 3.8999 8.0988 119.3946 55.2683 18.3788 179.9352 142 L 3.9221 8.0014 117.7157 58.1881 41.2854 179.8646 143 T 3.8318 8.1410 109.4378 64.5250 68.4737 176.2821 144 A 3.9744 7.8821 123.7829 55.0944 18.3715 179.1268 145 L 3.8836 7.8239 117.1494 58.1439 41.7326 179.2286 146 E 4.0745 8.4060 118.9633 59.9136 29.4134 178.8188 147 M 4.0169 8.0432 118.2797 58.5429 31.9655 178.4468 148 I 3.6990 7.7561 119.7558 64.8454 37.2859 178.1529 149 N 4.3108 7.9541 116.5635 56.2331 38.1600 177.4898 150 V 3.5886 7.8607 118.9123 66.1548 31.7457 177.9083 151 L 4.0809 8.3011 118.7270 57.8009 41.3899 179.1206 152 K 3.8158 8.0776 118.3828 59.5766 32.0816 177.0670 153 A 4.4641 8.2042 120.3325 51.7475 19.3799 177.2582 154 I 3.8902 7.8603 121.0528 63.1597 37.7235 173.9782 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 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.69 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.81 4.59 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 1.41 0.67 0.91 0.00 0.00 4 I 8.34 4.36 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 1.41 0.60 0.91 0.00 0.00 5 K 8.62 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.24 5.05 0.00 2.66 2.68 0.00 0.00 6.99 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 8 V 8.17 3.88 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.09 4.26 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 10 A 8.31 4.63 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 11 P 0.00 4.60 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.72 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.62 4.63 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 14 R 9.50 4.82 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.91 4.97 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 0.85 0.00 0.00 0.95 0.00 0.00 16 A 8.53 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.67 4.79 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.73 0.00 0.00 18 T 8.54 4.80 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 19 I 8.30 5.21 0.76 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.17 0.44 0.00 0.00 20 A 8.45 5.07 1.32 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 21 R 9.41 4.42 0.00 2.08 2.51 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.13 4.66 0.00 3.18 3.01 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 23 N 9.87 4.67 0.00 2.97 2.99 0.00 0.00 6.88 8.19 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 24 Q 8.39 4.15 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.98 0.00 3.14 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 26 I 8.29 4.20 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 0.95 0.00 0.00 27 N 8.26 4.39 0.00 2.88 2.91 0.00 0.00 7.10 8.08 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 28 D 8.68 4.49 0.00 2.64 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 29 S 7.95 4.07 0.00 3.81 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 30 L 7.82 4.06 0.00 1.93 1.64 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.34 3.86 0.00 1.79 1.78 0.77 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.52 4.50 0.00 2.87 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 33 G 8.19 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.92 3.93 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 35 V 7.93 3.45 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 0.97 0.00 0.00 0.91 0.00 0.00 36 D 8.08 4.32 0.00 2.83 2.89 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 37 A 8.30 3.91 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 38 L 8.50 3.86 0.00 1.85 1.73 0.89 0.59 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 39 T 8.24 4.20 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 1.24 0.00 0.00 40 R 8.22 3.87 0.00 1.81 2.23 0.00 3.24 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.01 4.10 2.08 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 1.23 0.97 0.91 0.00 0.00 42 G 7.93 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 0.00 0.00 0.00 43 Q 8.34 3.79 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.50 3.69 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 0.88 0.00 0.00 1.03 0.00 0.00 45 K 8.56 4.32 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.66 0.00 2.83 2.75 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 47 D 7.98 4.81 0.00 2.78 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 48 N 8.48 4.72 0.00 2.89 2.99 0.00 0.00 6.92 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 49 I 7.59 4.92 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.81 4.70 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 1.49 0.00 0.00 51 V 8.42 4.61 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 0.46 0.00 0.00 0.83 0.00 0.00 52 V 8.97 4.29 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.97 4.86 0.00 3.22 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 54 V 8.63 4.33 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 0.74 0.00 0.00 1.06 0.00 0.00 55 P 0.00 4.34 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.97 4.41 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 0.00 0.00 0.00 57 A 8.48 4.06 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 58 Y 8.16 4.21 0.00 2.91 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 59 E 8.21 4.15 0.00 2.00 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 2.62 2.58 0.00 60 L 7.54 3.89 0.00 1.78 1.70 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.16 0.00 2.02 1.85 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 62 L 7.71 3.89 0.00 1.63 1.68 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.80 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 64 T 8.25 3.83 4.19 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 1.22 0.00 0.00 65 E 8.99 3.84 0.00 1.99 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 0.00 2.31 2.33 0.00 66 A 8.04 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.08 0.00 1.76 1.68 0.64 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.40 4.22 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 69 K 8.17 3.92 0.00 1.87 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.12 4.20 0.00 3.91 4.21 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 71 G 8.38 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 72 K 7.74 3.68 0.00 1.46 1.18 0.00 1.50 0.00 0.00 1.25 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.31 1.02 7.81 73 Y 6.95 5.03 0.00 2.89 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 74 D 9.10 4.72 0.00 2.56 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 75 A 7.39 4.54 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 76 V 8.23 4.75 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 0.98 0.00 0.00 0.86 0.00 0.00 77 V 8.72 4.38 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.60 4.95 1.21 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 0.00 0.00 79 L 8.00 5.34 0.00 1.39 1.40 0.80 0.68 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 80 G 7.65 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 0.00 0.00 0.00 0.00 81 T 8.55 5.07 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 1.19 0.00 0.00 82 V 9.04 4.22 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 0.91 0.00 0.00 0.88 0.00 0.00 83 I 8.17 4.68 1.85 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 1.23 0.69 0.84 0.00 0.00 84 R 8.45 3.65 0.00 0.67 1.40 0.00 3.07 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.37 4.41 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 0.00 0.00 0.00 86 G 8.77 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 0.00 0.00 0.00 87 T 7.59 4.52 4.31 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 1.24 0.00 0.00 88 A 8.37 4.45 1.33 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 0.00 0.00 0.00 89 H 8.29 4.28 0.00 3.23 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.04 0.00 3.11 3.04 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 91 E 7.98 3.58 0.00 1.96 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 2.02 2.18 0.00 92 Y 7.39 4.34 0.00 2.99 2.88 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 93 V 7.70 3.70 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 1.05 0.00 0.00 0.75 0.00 0.00 94 A 7.86 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.09 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 96 G 8.73 3.86 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 0.00 0.00 0.00 97 A 7.85 4.28 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 98 S 8.20 4.13 0.00 3.72 3.86 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 99 N 8.49 4.44 0.00 2.80 2.82 0.00 0.00 6.94 8.05 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 0.00 100 G 7.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.89 3.99 0.00 1.90 1.82 1.04 1.04 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 0.00 102 A 8.04 3.98 1.33 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 0.00 0.00 0.00 103 S 8.29 3.95 0.00 3.96 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 0.00 104 V 7.77 3.55 2.23 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 1.04 0.00 0.00 0.93 0.00 0.00 105 A 7.83 4.32 1.46 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 0.00 0.00 106 Q 7.70 3.88 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.04 4.54 0.00 2.70 2.70 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 0.00 108 S 8.35 4.36 0.00 4.02 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 0.00 109 G 8.18 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 0.00 110 V 7.58 4.00 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.49 0.00 2.12 1.97 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.91 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 0.86 0.00 0.00 0.97 0.00 0.00 113 A 8.92 4.39 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 0.00 114 F 9.00 4.77 0.00 3.01 3.01 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 0.00 115 G 8.07 3.94 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 0.00 0.00 0.00 116 V 6.05 4.56 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 0.70 0.00 0.00 -0.03 0.00 0.00 117 L 8.76 4.25 0.00 1.62 1.58 0.92 0.62 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 0.00 118 T 8.52 4.89 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 119 T 8.66 4.60 4.41 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 1.23 0.00 0.00 120 E 9.85 4.09 0.00 1.94 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 2.31 2.30 0.00 121 S 7.58 4.70 0.00 3.95 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 0.00 122 I 8.23 3.67 1.84 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 1.47 0.69 0.86 0.00 0.00 123 E 8.20 3.92 0.00 1.93 1.99 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 2.30 2.49 0.00 124 Q 8.20 4.29 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.77 4.03 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 0.00 126 I 7.92 3.76 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.94 0.99 0.00 0.00 127 E 8.07 4.54 0.00 2.28 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 2.34 2.38 0.00 128 R 7.90 4.53 0.00 1.89 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.77 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 0.00 130 G 7.83 4.45 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 0.00 131 T 7.52 4.64 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 1.23 0.00 0.00 132 K 9.26 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.77 4.57 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 0.00 134 G 8.10 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 0.00 135 N 8.24 5.26 0.00 2.70 2.65 0.00 0.00 6.93 7.05 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 0.00 136 K 8.90 3.99 0.00 1.83 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.27 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 0.00 138 A 7.86 4.09 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 0.00 139 E 8.37 3.87 0.00 2.04 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 2.31 2.32 0.00 140 A 8.68 4.06 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 0.00 141 A 8.10 3.90 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 0.00 142 L 8.00 3.92 0.00 2.00 1.72 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.14 3.83 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 1.24 0.00 0.00 144 A 7.88 3.97 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 0.00 145 L 7.82 3.88 0.00 1.86 1.91 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.41 4.07 0.00 2.02 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 2.32 2.38 0.00 147 M 8.04 4.02 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.76 3.70 2.06 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 1.68 0.86 0.92 0.00 0.00 149 N 7.95 4.31 0.00 2.91 2.86 0.00 0.00 6.72 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.86 3.59 2.23 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 0.83 0.00 0.00 0.97 0.00 0.00 151 L 8.30 4.08 0.00 1.86 1.69 0.92 0.92 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 0.00 152 K 8.08 3.82 0.00 1.84 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.20 4.46 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 0.00 154 I 7.86 3.89 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 1.16 0.72 0.91 0.00 0.00