NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3548 0.0000 0.0000 63.0951 32.6298 173.4641 5 T 4.5341 7.9427 107.7409 59.8527 71.8011 173.2638 6 I 3.8035 9.0954 122.1386 65.0447 38.0665 179.2150 7 N 4.3430 8.1761 116.7627 56.5097 38.3410 177.1088 8 Q 4.0241 8.1947 119.3268 59.1060 28.5758 179.2068 9 L 3.9978 7.2471 117.7510 57.6987 41.7906 179.0618 10 V 3.7249 7.8667 117.5865 66.7068 31.4270 176.9882 11 R 4.1834 8.3873 117.1497 57.6623 30.0220 178.2240 12 K 3.6422 8.3024 124.0806 55.2525 32.9453 177.9933 13 G 4.0737 8.3137 105.9690 44.6462 0.0000 173.4304 14 R 3.9464 8.2055 119.6331 55.7815 30.5596 176.3556 15 E 4.0996 8.6310 124.1992 55.2375 30.2567 176.1887 16 K 4.0477 8.5110 127.7653 56.1511 32.3740 175.8687 17 V 3.2706 7.7695 118.6167 59.7922 31.8422 171.9751 18 R 3.8584 8.1742 132.6634 55.7042 30.8587 175.8676 19 K 4.6297 8.3487 123.4436 54.8065 35.2597 176.1944 20 K 4.2972 8.3694 121.0873 55.5929 33.1503 176.6799 21 S 4.3364 8.2191 115.1728 58.2305 62.9001 174.2988 22 K 4.1680 8.3791 123.5282 56.9166 32.2467 177.4113 23 V 3.9952 7.5167 119.6064 61.0732 33.3698 173.6606 24 P 4.5652 0.0000 0.0000 61.7953 29.5810 176.9262 25 A 4.6053 7.4829 125.3696 51.5059 20.9142 178.1632 26 L 3.4751 7.1080 128.9309 56.5554 40.8249 177.9094 27 K 4.2918 8.7232 124.5515 57.5885 31.0348 177.3483 28 G 3.9479 8.6254 104.7646 45.9142 0.0000 174.1831 29 A 3.8628 7.3520 120.8033 51.7990 18.8288 176.4762 30 P 3.9393 0.0000 0.0000 64.8489 31.4534 176.4627 31 F 5.4784 7.4474 113.0880 55.3046 43.2326 173.5719 32 R 4.7205 8.7710 121.5945 54.7196 33.0730 174.4932 33 R 5.0869 8.4153 124.8124 55.4625 32.6129 174.9458 34 G 4.4186 8.5882 110.6818 45.8184 0.0000 171.6672 35 V 4.8353 7.9200 120.1064 60.8532 33.4893 174.5852 36 C 4.2982 9.3769 127.6081 60.8617 27.8731 173.3126 37 T 4.1180 8.9130 120.2487 63.8015 67.4356 174.3686 38 V 4.3167 7.5938 120.6342 61.1775 34.1834 174.0767 39 V 4.4461 8.4348 126.9492 60.7748 32.1448 173.8874 40 R 4.7669 8.6926 125.8926 54.2691 34.5801 172.9535 41 T 5.0206 8.4890 116.9149 60.6375 68.7063 173.8561 42 V 4.6239 8.4684 122.4945 59.6908 34.4909 175.4990 43 T 4.4108 8.3587 113.8464 60.9123 69.8404 174.0378 44 P 4.7105 0.0000 0.0000 62.8355 33.2233 176.3588 45 K 4.5711 7.7687 120.0744 56.9708 30.1271 178.3183 46 K 4.0672 8.5723 128.9160 59.4617 32.1669 175.3952 47 P 4.5265 0.0000 0.0000 63.1525 31.9800 175.3102 48 N 5.0427 7.5171 114.5234 51.5234 42.0195 174.4467 49 S 4.3000 8.2374 111.7656 58.8298 63.5304 175.9346 50 A 4.2707 8.6674 132.5560 55.6882 19.1406 179.2329 51 L 3.5890 7.4754 114.9160 55.8197 38.5204 174.3154 52 R 4.4675 8.8031 127.0668 54.9841 31.7800 175.9241 53 K 4.4537 9.0740 123.8390 56.8031 32.6657 176.1673 54 V 5.0624 8.6053 124.8157 61.1910 35.5745 174.3329 55 A 5.2397 8.8393 124.5982 51.0794 22.7557 176.1014 56 K 4.5541 8.8433 122.9376 56.5478 33.7879 176.5328 57 V 4.5624 9.3216 124.5885 61.0136 34.5552 174.7366 58 R 4.5163 8.5298 130.3506 55.7079 29.8433 175.8159 59 L 4.3794 8.0949 126.2640 55.0682 41.8223 177.9910 60 T 4.1270 8.6346 109.9916 63.6511 68.9706 176.0075 61 S 4.5084 8.0979 117.2263 58.4783 63.0751 175.7999 62 G 3.7480 7.8625 107.8880 46.2983 0.0000 173.7367 63 Y 4.2882 7.3001 117.6184 57.6867 40.8477 174.3184 64 E 4.8382 8.4739 119.0065 56.3805 31.0105 174.3764 65 V 4.7298 8.4032 126.7835 61.0547 35.9040 173.4543 66 T 5.1315 8.4724 112.0362 59.9187 70.9763 173.4155 67 A 5.7244 8.9495 126.3020 49.3299 22.6427 173.8220 68 Y 4.9576 8.5649 121.0448 56.2033 40.9970 174.4832 69 I 3.9511 7.8567 128.2917 59.5713 37.5749 174.8350 70 P 4.0156 0.0000 0.0000 62.5948 32.2543 176.5890 71 G 4.0936 8.5825 111.9751 46.1595 0.0000 173.9096 72 E 4.1892 8.5368 118.5487 55.0497 27.9923 177.1022 73 G 3.9477 9.8181 110.9325 45.4649 0.0000 168.5696 74 H 4.6165 7.9574 110.9905 56.1719 31.0336 173.2947 75 N 4.8089 8.5242 112.2111 52.3146 36.9502 174.3807 76 L 4.7672 7.6192 117.2140 54.0448 44.7941 176.7683 77 Q 4.7539 8.5561 125.5319 55.4881 29.6355 175.7612 78 E 4.3627 8.7376 121.7185 58.8552 30.0360 177.2073 79 H 5.0328 7.8148 112.2057 56.2413 31.4763 173.6504 80 S 4.6023 8.1759 114.9827 58.4476 64.0931 173.6827 81 V 4.8803 8.1555 115.6440 60.2610 34.6334 174.9284 82 V 4.6451 8.1168 121.0185 61.7225 35.1741 171.1922 83 L 5.3229 8.3043 119.9692 53.2034 45.0813 175.6261 84 I 4.7769 8.3839 122.3498 59.9558 38.5274 176.7780 85 R 4.1647 9.0362 129.1859 58.1085 30.7338 174.2906 86 G 3.6755 8.9077 111.3129 46.1598 0.0000 172.3012 87 G 4.6521 7.7069 116.8791 45.2719 0.0000 170.8137 88 R 4.5672 8.4984 123.3900 55.7139 31.2114 176.2258 89 V 4.2205 8.1644 118.8531 60.8043 33.4979 176.1804 90 K 4.1914 8.8975 126.6610 57.8452 31.8365 177.1077 91 D 4.6840 7.7568 117.2599 53.7716 41.9822 175.5950 92 L 4.5792 7.9647 118.7609 52.6678 44.3688 174.0149 93 P 4.2866 0.0000 0.0000 64.6141 31.4617 174.9525 94 G 4.0612 9.0191 112.2625 45.9013 0.0000 173.1427 95 V 3.8103 7.4413 117.9247 62.9559 30.8002 175.5244 96 R 4.3960 8.4671 126.6553 55.4729 31.8617 175.3116 97 Y 4.7990 7.7804 116.7865 57.1792 42.3207 174.7385 98 H 4.9513 8.7759 122.5241 55.5935 30.7784 173.9762 99 I 4.8757 7.7330 118.7649 59.0130 39.8122 175.4935 100 V 3.7204 8.5866 129.7897 63.1616 32.1340 175.4966 101 R 4.4227 8.3899 124.3869 55.5609 32.0903 177.7895 102 G 3.9023 7.9730 106.4366 45.8479 0.0000 173.7939 103 V 3.9451 7.1728 120.4758 62.1064 33.6824 175.0878 104 Y 3.6243 8.0279 123.7973 59.1784 36.3349 171.6913 105 D 4.3388 8.5062 121.6821 57.6018 40.7935 175.8362 106 A 4.2207 7.8973 122.5844 51.0196 17.7633 177.1048 107 A 4.2282 8.5657 125.6579 52.4573 19.8761 177.6020 108 G 4.6189 8.1059 109.4416 45.8707 0.0000 172.9483 109 V 4.5722 7.8248 122.6854 60.9836 33.6635 176.5837 110 K 4.3124 8.5659 128.2763 56.9237 33.3385 176.9457 111 D 4.8275 9.0309 125.0899 54.4899 39.6506 175.1875 112 R 3.9030 7.3205 118.4687 56.4538 29.9147 174.4471 113 K 4.3987 7.7169 120.3690 57.8343 35.2110 176.6886 114 K 4.0918 7.5086 117.6298 57.5174 33.1707 177.2351 115 S 4.0955 8.7050 114.7359 59.4364 60.2507 174.7889 116 R 3.9632 7.4155 121.9779 59.4903 29.8410 178.3750 117 S 4.0674 7.9530 111.0234 62.0183 62.6404 176.2281 118 K 3.9240 8.1085 119.2241 59.4589 32.0832 177.7193 119 Y 4.2967 8.4252 113.5647 56.6692 38.1747 175.8380 120 G 3.8754 8.0692 108.1421 46.4814 0.0000 171.3447 121 T 4.6186 8.2078 116.1055 61.8271 71.2289 174.0321 122 K 3.8067 8.6476 127.9964 56.0724 32.5883 176.3698 123 K 3.7638 8.7252 126.9151 56.6095 32.4901 174.6150 124 P 4.6715 0.0000 0.0000 61.4876 33.6741 174.2583 125 K 4.4998 8.1859 118.1546 55.2385 34.6391 176.1601 126 E 3.9301 9.1514 125.9845 59.0734 29.9986 176.5353 127 A 4.0525 7.9325 124.0650 52.6743 18.7151 176.8991 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 4 P 0.00 4.35 0.00 2.19 2.19 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 5 T 7.94 4.53 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 1.21 0.00 0.00 6 I 9.10 3.80 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 1.64 0.62 0.91 0.00 0.00 7 N 8.18 4.34 0.00 2.73 2.88 0.00 0.00 7.04 7.74 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 8 Q 8.19 4.02 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 9 L 7.25 4.00 0.00 1.87 1.72 0.92 0.89 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 10 V 7.87 3.72 2.25 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 0.83 0.00 0.00 0.96 0.00 0.00 11 R 8.39 4.18 0.00 1.78 1.80 0.00 3.23 0.00 0.00 3.15 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 12 K 8.30 3.64 0.00 1.73 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.40 7.81 13 G 8.31 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.21 3.95 0.00 1.81 1.89 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 15 E 8.63 4.10 0.00 1.92 1.86 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 2.29 2.29 0.00 16 K 8.51 4.05 0.00 1.75 1.69 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 17 V 7.77 3.27 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 0.72 0.00 0.00 0.93 0.00 0.00 18 R 8.17 3.86 0.00 1.94 1.96 0.00 3.17 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 19 K 8.35 4.63 0.00 1.84 1.71 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.35 7.81 20 K 8.37 4.30 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 21 S 8.22 4.34 0.00 3.81 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 22 K 8.38 4.17 0.00 1.70 1.75 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 23 V 7.52 4.00 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 0.79 0.00 0.00 0.58 0.00 0.00 24 P 0.00 4.57 0.00 2.14 2.08 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 25 A 7.48 4.61 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 26 L 7.11 3.48 0.00 1.79 0.94 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.72 4.29 0.00 1.81 1.80 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.44 7.81 28 G 8.63 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 0.00 0.00 0.00 29 A 7.35 3.86 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 30 P 0.00 3.94 0.00 1.68 1.57 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 31 F 7.45 5.48 0.00 2.89 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 32 R 8.77 4.72 0.00 1.90 1.73 0.00 3.16 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 33 R 8.42 5.09 0.00 2.01 1.76 0.00 2.70 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 34 G 8.59 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.92 4.84 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 1.03 0.00 0.00 0.91 0.00 0.00 36 C 9.38 4.30 0.00 2.85 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 T 8.91 4.12 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 1.27 0.00 0.00 38 V 7.59 4.32 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 0.92 0.00 0.00 0.93 0.00 0.00 39 V 8.43 4.45 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 1.00 0.00 0.00 1.02 0.00 0.00 40 R 8.69 4.77 0.00 1.83 1.71 0.00 3.30 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 41 T 8.49 5.02 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 42 V 8.47 4.62 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 0.70 0.00 0.00 1.00 0.00 0.00 43 T 8.36 4.41 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 1.22 0.00 0.00 44 P 0.00 4.71 0.00 2.15 2.36 0.00 3.66 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 2.09 0.00 45 K 7.77 4.57 0.00 2.00 0.86 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 46 K 8.57 4.07 0.00 1.70 1.76 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 47 P 0.00 4.53 0.00 2.07 2.07 0.00 3.65 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 1.98 2.08 0.00 48 N 7.52 5.04 0.00 2.77 2.68 0.00 0.00 6.78 7.57 0.00 0.00 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 S 8.24 4.30 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.67 4.27 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 51 L 7.48 3.59 0.00 1.74 2.07 0.94 1.02 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 52 R 8.80 4.47 0.00 1.90 1.94 0.00 3.36 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.61 0.00 53 K 9.07 4.45 0.00 1.72 1.69 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.53 7.81 54 V 8.61 5.06 2.15 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 1.10 0.00 0.00 1.11 0.00 0.00 55 A 8.84 5.24 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 56 K 8.84 4.55 0.00 1.74 1.89 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.46 7.81 57 V 9.32 4.56 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 0.93 0.00 0.00 0.94 0.00 0.00 58 R 8.53 4.52 0.00 1.89 1.83 0.00 3.16 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 59 L 8.09 4.38 0.00 1.74 1.72 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.63 4.13 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 1.18 0.00 0.00 61 S 8.10 4.51 0.00 4.14 4.15 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 62 G 7.86 3.75 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 0.00 0.00 0.00 63 Y 7.30 4.29 0.00 2.80 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 64 E 8.47 4.84 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 65 V 8.40 4.73 1.82 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 1.16 0.00 0.00 0.79 0.00 0.00 66 T 8.47 5.13 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 1.25 0.00 0.00 67 A 8.95 5.72 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 68 Y 8.56 4.96 0.00 3.05 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 69 I 7.86 3.95 1.71 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 1.02 0.43 0.72 0.00 0.00 70 P 0.00 4.02 0.00 1.62 1.69 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 71 G 8.58 4.09 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 0.00 0.00 0.00 72 E 8.54 4.19 0.00 1.99 1.95 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 2.30 2.32 0.00 73 G 9.82 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 0.00 0.00 0.00 74 H 7.96 4.62 0.00 3.21 3.23 0.00 5.54 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 75 N 8.52 4.81 0.00 2.77 2.80 0.00 0.00 5.73 7.79 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 76 L 7.62 4.77 0.00 1.77 1.67 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.56 4.75 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 78 E 8.74 4.36 0.00 1.89 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 2.16 2.36 0.00 79 H 7.81 5.03 0.00 3.02 3.19 0.00 5.76 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.18 4.60 0.00 3.80 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 81 V 8.16 4.88 1.87 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 0.77 0.00 0.00 1.01 0.00 0.00 82 V 8.12 4.65 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 0.65 0.00 0.00 0.96 0.00 0.00 83 L 8.30 5.32 0.00 1.50 1.57 0.67 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.38 4.78 1.93 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 0.97 1.18 1.14 0.00 0.00 85 R 9.04 4.16 0.00 1.92 2.10 0.00 3.35 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 86 G 8.91 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 87 G 7.71 4.65 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 88 R 8.50 4.57 0.00 1.87 1.82 0.00 2.90 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 89 V 8.16 4.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.75 0.00 0.00 90 K 8.90 4.19 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.34 7.81 91 D 7.76 4.68 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.96 4.58 0.00 1.59 1.46 0.68 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.29 0.00 2.03 2.00 0.00 3.62 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 2.01 2.06 0.00 94 G 9.02 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 0.00 0.00 0.00 0.00 95 V 7.44 3.81 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 1.21 0.00 0.00 0.95 0.00 0.00 96 R 8.47 4.40 0.00 1.37 1.46 0.00 3.15 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 97 Y 7.78 4.80 0.00 2.92 2.82 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 98 H 8.78 4.95 0.00 3.38 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.73 4.88 1.89 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 1.10 1.04 0.89 0.00 0.00 100 V 8.59 3.72 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 0.50 0.00 0.00 0.76 0.00 0.00 101 R 8.39 4.42 0.00 1.79 1.76 0.00 3.36 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 1.47 1.42 0.00 102 G 7.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.17 3.95 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 -0.07 0.00 0.00 0.66 0.00 0.00 104 Y 8.03 3.62 0.00 3.27 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 0.00 105 D 8.51 4.34 0.00 3.25 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 0.00 106 A 7.90 4.22 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 0.00 107 A 8.57 4.23 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 0.00 108 G 8.11 4.62 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 0.00 109 V 7.82 4.57 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 0.78 0.00 0.00 1.09 0.00 0.00 110 K 8.57 4.31 0.00 1.88 1.64 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 111 D 9.03 4.83 0.00 2.88 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 0.00 112 R 7.32 3.90 0.00 1.61 1.78 0.00 3.02 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 113 K 7.72 4.40 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.33 7.81 114 K 7.51 4.09 0.00 1.74 1.67 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.42 7.81 115 S 8.70 4.10 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.42 3.96 0.00 1.82 2.20 0.00 3.37 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 117 S 7.95 4.07 0.00 3.87 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 0.00 118 K 8.11 3.92 0.00 2.03 1.75 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.52 7.81 119 Y 8.43 4.30 0.00 2.84 2.98 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 0.00 120 G 8.07 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 0.00 121 T 8.21 4.62 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 1.26 0.00 0.00 122 K 8.65 3.81 0.00 1.70 1.73 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 123 K 8.73 3.76 0.00 1.74 1.72 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 124 P 0.00 4.67 0.00 2.20 2.07 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 125 K 8.19 4.50 0.00 1.64 1.67 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.48 7.81 126 E 9.15 3.93 0.00 1.99 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 2.30 2.24 0.00 127 A 7.93 4.05 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