NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4201 8.1927 115.2908 57.8138 63.9210 174.1951 3 V 3.3501 8.4105 126.7619 65.9105 31.2908 176.5884 4 Y 4.0025 8.7064 117.3503 61.2375 38.1998 177.7590 5 D 4.4867 8.1434 119.0556 57.2824 40.9823 178.5174 6 A 3.9457 8.1593 121.0869 55.0773 18.2976 179.4364 7 A 3.9641 8.1395 118.4741 54.5628 18.1235 179.4868 8 A 3.9995 7.6678 118.8375 54.9068 18.5329 179.4691 9 Q 4.1472 7.8066 115.7999 57.7924 29.9536 177.5932 10 L 4.2198 7.0490 121.5382 53.9393 39.8621 176.8282 11 T 4.2236 7.5431 114.2669 60.3271 71.7288 175.1925 12 A 3.9604 8.4641 122.1758 55.5311 18.2505 179.4361 13 D 4.2899 8.0030 117.0134 56.6050 39.5293 178.8188 14 V 3.4975 7.3721 118.7561 65.6890 31.5435 178.2714 15 K 3.9323 8.3349 118.5319 58.8578 31.7129 179.4322 16 K 3.9184 7.9378 120.2402 59.7623 32.2372 178.7547 17 D 4.6143 8.0463 119.0388 57.1593 40.5616 178.9256 18 L 3.6808 7.7661 119.5834 57.7245 41.6178 179.7202 19 R 4.0319 7.9321 117.9473 59.3568 30.0083 178.8089 20 D 4.4998 8.4473 119.0597 57.5587 40.8968 179.1564 21 S 3.0290 8.2694 114.7355 60.8653 62.9041 176.2988 22 W 4.3866 8.7015 132.0776 60.0699 30.2225 178.0534 23 K 3.8123 8.1083 117.7678 58.6177 31.6248 178.5161 24 V 3.9245 6.8414 115.8916 64.8515 31.8372 178.0247 25 I 3.5276 7.3860 111.4748 63.1428 37.5542 176.9976 26 G 2.0728 6.9113 108.4831 45.1635 0.0000 174.5485 27 S 4.1364 7.2194 114.2641 59.6526 63.4681 174.2313 28 D 4.6721 7.1812 120.1880 51.2700 41.0156 175.3046 29 K 3.8216 7.9518 123.1513 58.7801 32.5402 178.4215 30 K 4.0049 7.9809 119.4702 59.3852 32.1437 178.8906 31 G 3.5827 7.9925 106.6668 47.6148 0.0000 175.3812 32 N 4.4522 8.3366 120.0729 55.3348 38.3738 177.8909 33 G 3.5544 8.2227 107.7683 47.8763 0.0000 175.9819 34 V 3.7196 7.9487 121.3545 64.7753 31.4801 178.0245 35 A 4.0102 7.5803 121.9178 54.3323 18.1984 179.5248 36 L 3.7881 7.9379 117.4862 58.1884 41.7506 179.6574 37 M 3.5293 7.5753 118.4476 58.4042 31.3957 178.8900 38 T 3.9948 7.9967 110.1066 65.3872 68.8350 176.5228 39 T 3.8827 7.9624 118.7035 65.8970 68.2933 176.4392 40 L 3.8167 7.5866 122.3135 58.2570 41.8804 179.1862 41 F 4.4817 7.5600 116.0860 60.2625 38.8463 177.3896 42 A 4.1908 7.9820 120.1330 55.0383 18.3422 178.7998 43 D 4.6435 8.1120 115.5497 54.9675 42.8392 176.8081 44 N 5.2389 8.1347 115.7335 49.3331 39.0693 174.5521 45 Q 4.1804 8.2929 120.9255 59.3191 29.1928 178.8861 46 E 4.0898 8.3839 117.7249 59.0779 29.5698 178.3571 47 T 4.7074 8.4451 110.1537 63.2374 69.4367 176.6341 48 I 3.9797 8.2779 123.8962 64.4585 36.8337 178.2612 49 G 3.6134 8.0905 105.3883 47.7930 0.0000 174.8850 50 Y 4.2321 7.8385 117.5894 59.5954 38.4923 176.2920 51 F 5.0157 8.2274 119.5526 56.6894 39.8865 177.9416 52 K 4.0810 8.0774 121.6974 59.6134 33.0273 179.0385 53 R 3.9243 8.0436 119.1651 59.2291 30.0384 177.0423 54 L 4.2515 7.7108 115.0565 55.0464 42.6160 178.9342 55 G 3.7746 7.5994 107.5484 46.5957 0.0000 176.6642 56 N 4.5243 8.4144 122.1627 52.3378 37.3950 175.6266 57 V 3.8625 7.8715 117.5308 62.3418 31.8314 178.0887 58 S 4.4525 8.0526 114.3335 59.6350 63.0273 175.3425 59 Q 4.1153 8.0926 120.3060 56.5167 29.9605 177.2784 60 G 3.8975 7.4774 105.9304 46.2349 0.0000 175.9275 61 M 3.9217 9.0803 121.4072 58.4413 32.0631 177.1303 62 A 3.9864 7.5536 119.5697 54.9108 18.7590 177.3528 63 N 4.4450 8.2140 114.8889 53.5179 39.3646 175.1535 64 D 4.3777 8.7083 129.1893 57.5019 41.0545 178.9350 65 K 4.0231 8.1082 118.3992 59.3873 32.0434 179.0445 66 L 4.0438 8.6658 121.0375 58.0858 42.0183 178.9734 67 R 3.9961 8.4581 119.2226 59.3647 30.1544 178.7366 68 G 3.6615 8.5670 106.0531 48.0569 0.0000 175.2280 69 H 4.3065 8.4223 120.6693 59.1816 29.4771 177.5804 70 S 4.0708 8.4265 117.2688 61.6083 62.3904 176.8429 71 I 3.8626 7.6482 121.7168 64.6957 37.3336 178.2985 72 T 4.2193 7.9629 116.3792 66.4336 68.2607 176.3867 73 L 4.0400 8.2347 122.6101 58.6541 42.1169 179.0654 74 M 4.2242 7.8406 117.5803 58.3759 31.7205 177.7698 75 Y 4.2456 7.9324 115.1543 59.4348 38.1920 177.4944 76 A 3.8167 7.9549 122.7164 54.8073 18.5840 179.6300 77 L 3.5429 7.4642 117.0182 57.5112 41.7118 179.1879 78 Q 3.5586 7.7733 119.6730 58.8927 28.7336 177.9213 79 N 4.1610 7.3704 116.8384 56.6853 39.3809 176.4081 80 F 4.5405 7.1693 118.9837 60.8526 38.9016 177.6437 81 I 3.4938 7.5803 119.2938 64.5794 36.6566 178.1425 82 D 4.4657 7.9004 117.7666 56.1977 40.9413 177.6169 83 Q 4.4769 7.6604 117.3621 55.4879 28.9402 176.9343 84 L 3.8961 7.3714 121.7913 58.1494 41.8037 178.3265 85 D 4.4019 8.0183 116.0764 55.7974 41.3433 176.2633 86 N 4.8196 7.9241 117.6983 50.3428 39.6649 172.1145 87 P 4.2200 0.0000 0.0000 65.6334 31.6383 177.6982 88 D 4.6443 8.0082 118.7770 57.1146 40.7906 178.7473 89 D 4.3833 8.2285 118.7812 57.0991 40.9308 178.3537 90 L 3.9045 7.9986 120.9744 58.0020 42.0647 179.2563 91 V 3.2622 7.9133 118.7644 66.0600 31.5528 177.8713 92 C 4.1708 7.8213 113.7168 61.3727 29.4475 176.1858 93 V 3.7952 7.8971 114.8947 63.8658 31.0864 178.7320 94 V 3.6375 7.7375 118.3557 65.8822 31.1183 178.0020 95 E 3.9464 8.0692 117.5116 59.0029 29.6881 178.8757 96 K 4.0672 8.0097 119.4081 59.5995 32.2177 178.3274 97 F 4.1538 8.3984 120.6315 61.6335 39.2703 177.0470 98 A 3.8295 8.4839 120.0356 54.5256 18.0693 179.3476 99 V 3.4821 7.4544 116.9138 66.8616 31.3555 178.1264 100 N 4.3262 7.9505 115.1296 56.5267 38.4544 177.0584 101 H 4.1285 7.5367 114.7108 58.3574 28.6951 177.8782 102 I 3.8057 7.8828 122.4491 64.3035 36.7904 178.3805 103 T 3.9392 7.5729 109.2475 64.3200 68.6245 175.8501 104 R 4.2554 7.3749 118.4165 55.3228 30.2784 176.3737 105 K 3.8284 7.8210 117.0879 57.4173 29.9186 175.9527 106 I 3.9878 7.7123 121.0872 60.3644 36.8963 177.0085 107 S 4.4725 8.4371 120.9429 57.5292 65.3222 174.7118 108 A 4.0281 8.5373 123.4863 55.1976 17.7851 179.9273 109 A 4.0041 7.9035 118.2425 55.2534 18.9568 179.1455 110 E 4.1226 8.1151 116.7354 59.7131 29.6094 179.3480 111 F 4.1370 8.5368 120.7177 61.2595 39.4618 177.1718 112 G 3.8660 8.1314 104.4428 47.0251 0.0000 175.3476 113 K 4.1420 8.0421 120.5686 58.7275 31.9852 178.5564 114 I 3.6773 7.6396 118.9821 63.1378 37.8050 177.3123 115 N 4.4325 8.2256 118.0161 56.3986 38.3648 177.0565 116 G 3.6347 7.6386 106.3772 47.5236 0.0000 173.6825 117 P 4.1966 0.0000 0.0000 65.1047 31.3319 178.7553 118 I 3.4762 7.6500 118.4065 64.0379 36.9229 178.2990 119 K 3.8955 8.0806 120.3910 59.5937 32.0757 179.0236 120 K 3.9590 7.9317 118.5894 59.3782 31.7268 179.5392 121 V 3.5403 7.6888 117.6825 65.8925 31.6529 177.7675 122 L 4.0694 8.0356 118.5480 57.8274 41.4210 179.3204 123 A 4.1556 8.2482 121.0037 55.1471 18.0933 179.5704 124 S 4.1882 8.1236 111.2861 60.2503 63.0503 175.1637 125 K 4.4045 7.7802 120.5019 55.9880 32.3865 175.8203 126 N 4.2439 8.2944 115.2031 54.0956 35.9764 173.9805 127 F 4.3502 8.1831 117.3281 55.8852 39.9238 176.9004 128 G 4.0868 8.6722 113.7267 43.7314 0.0000 172.3440 129 D 4.5083 8.8558 118.7048 57.7132 40.5173 179.1662 130 K 3.8395 8.1935 119.2573 59.9154 32.0633 178.2911 131 Y 4.1190 8.4314 116.6369 60.8850 37.8735 177.7742 132 A 4.1925 8.3602 121.3213 55.5474 18.4452 179.2887 133 N 4.3362 8.7124 114.9768 56.2433 38.1918 177.4368 134 A 3.9363 7.7748 122.2442 55.2015 18.5037 179.8501 135 W 3.9061 8.6313 117.2522 59.6751 29.1912 178.6551 136 A 4.1210 8.3402 120.9241 55.0462 17.5231 179.7858 137 K 4.0078 7.6438 116.1127 59.1241 32.5294 179.0840 138 L 3.9306 7.4829 120.4878 58.0833 42.0492 179.1614 139 V 3.7450 8.1296 118.0418 65.9239 31.4106 177.8267 140 A 4.4960 7.8084 121.5876 54.4316 17.9076 179.7371 141 V 3.3964 7.2227 115.9151 66.1893 31.8891 178.1967 142 V 3.4812 7.4424 117.4419 65.9273 31.3117 177.8716 143 Q 3.9140 8.1006 117.6304 58.6204 28.3122 178.2018 144 A 4.1295 7.8177 120.1628 53.5865 18.4951 178.1938 145 A 4.4703 7.5847 117.4217 51.7044 19.8136 176.7300 146 L 4.1846 7.4795 122.8643 54.6716 41.9567 176.3348 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 2 S 8.19 4.42 0.00 3.91 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 3 V 8.41 3.35 1.88 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 0.75 0.00 0.00 0.83 0.00 0.00 4 Y 8.71 4.00 0.00 3.04 2.93 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 0.00 0.00 0.00 0.00 5 D 8.14 4.49 0.00 2.85 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 6 A 8.16 3.95 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 7 A 8.14 3.96 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 8 A 7.67 4.00 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 9 Q 7.81 4.15 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.35 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 10 L 7.05 4.22 0.00 1.67 1.54 0.78 0.78 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 11 T 7.54 4.22 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 1.23 0.00 0.00 12 A 8.46 3.96 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 13 D 8.00 4.29 0.00 2.92 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 14 V 7.37 3.50 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 0.90 0.00 0.00 0.87 0.00 0.00 15 K 8.33 3.93 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.72 7.81 16 K 7.94 3.92 0.00 2.01 1.99 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 17 D 8.05 4.61 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 18 L 7.77 3.68 0.00 1.67 1.24 0.57 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.93 4.03 0.00 1.93 2.05 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 20 D 8.45 4.50 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.27 3.03 0.00 3.41 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 22 W 8.70 4.39 0.00 3.77 3.38 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 23 K 8.11 3.81 0.00 1.97 1.86 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.84 7.81 24 V 6.84 3.92 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 1.12 0.00 0.00 1.07 0.00 0.00 25 I 7.39 3.53 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.28 0.70 0.00 0.00 26 G 6.91 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.22 4.14 0.00 3.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.18 4.67 0.00 2.61 2.39 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 29 K 7.95 3.82 0.00 1.72 1.70 0.00 1.14 0.00 0.00 0.81 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.34 7.81 30 K 7.98 4.00 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.34 4.45 0.00 2.67 2.73 0.00 0.00 7.01 7.09 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 33 G 8.22 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.72 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 1.21 0.00 0.00 0.95 0.00 0.00 35 A 7.58 4.01 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 36 L 7.94 3.79 0.00 1.80 1.58 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.58 3.53 0.00 1.70 1.99 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 38 T 8.00 3.99 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 1.27 0.00 0.00 39 T 7.96 3.88 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 L 7.59 3.82 0.00 1.56 1.27 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.56 4.48 0.00 3.20 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.98 4.19 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 43 D 8.11 4.64 0.00 2.66 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 44 N 8.13 5.24 0.00 2.98 2.93 0.00 0.00 7.04 9.06 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 45 Q 8.29 4.18 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 46 E 8.38 4.09 0.00 2.20 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 2.49 2.40 0.00 47 T 8.45 4.71 4.68 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 1.40 0.00 0.00 48 I 8.28 3.98 1.94 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 1.21 1.39 0.74 0.00 0.00 49 G 8.09 3.61 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 0.00 0.00 0.00 50 Y 7.84 4.23 0.00 2.99 2.40 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 51 F 8.23 5.02 0.00 3.11 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 52 K 8.08 4.08 0.00 1.93 2.06 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.43 7.81 53 R 8.04 3.92 0.00 1.81 2.05 0.00 3.26 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 54 L 7.71 4.25 0.00 1.91 1.75 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.60 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.41 4.52 0.00 2.71 2.72 0.00 0.00 6.94 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 57 V 7.87 3.86 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.32 0.00 0.00 58 S 8.05 4.45 0.00 3.98 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 59 Q 8.09 4.12 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 60 G 7.48 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 61 M 9.08 3.92 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 62 A 7.55 3.99 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 63 N 8.21 4.44 0.00 2.79 2.89 0.00 0.00 7.15 8.65 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 64 D 8.71 4.38 0.00 2.74 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 65 K 8.11 4.02 0.00 2.02 1.91 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.67 4.04 0.00 1.77 1.85 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.46 4.00 0.00 2.02 2.08 0.00 3.16 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.57 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.42 4.31 0.00 3.39 3.55 0.00 5.79 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 70 S 8.43 4.07 0.00 4.03 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 71 I 7.65 3.86 1.96 0.00 0.00 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 1.56 0.67 1.13 0.00 0.00 72 T 7.96 4.22 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 1.29 0.00 0.00 73 L 8.23 4.04 0.00 1.73 1.87 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.84 4.22 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.95 0.00 75 Y 7.93 4.25 0.00 3.26 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 76 A 7.95 3.82 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 77 L 7.46 3.54 0.00 1.46 1.18 0.94 1.17 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 78 Q 7.77 3.56 0.00 2.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 79 N 7.37 4.16 0.00 2.69 2.60 0.00 0.00 7.28 8.13 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 80 F 7.17 4.54 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.58 3.49 1.60 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.08 0.81 0.00 0.00 82 D 7.90 4.47 0.00 2.79 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 83 Q 7.66 4.48 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 84 L 7.37 3.90 0.00 1.50 1.68 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.02 4.40 0.00 2.66 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 86 N 7.92 4.82 0.00 2.73 2.73 0.00 0.00 6.99 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.22 0.00 2.32 2.19 0.00 3.69 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 2.15 2.21 0.00 88 D 8.01 4.64 0.00 2.92 2.81 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 89 D 8.23 4.38 0.00 2.81 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 90 L 8.00 3.90 0.00 1.88 1.71 0.81 0.56 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 91 V 7.91 3.26 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 0.47 0.00 0.00 -0.06 0.00 0.00 92 C 7.82 4.17 0.00 3.22 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 93 V 7.90 3.80 2.22 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 0.87 0.00 0.00 1.15 0.00 0.00 94 V 7.74 3.64 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 0.87 0.00 0.00 0.39 0.00 0.00 95 E 8.07 3.95 0.00 1.98 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 0.00 2.28 2.54 0.00 96 K 8.01 4.07 0.00 1.95 2.14 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.59 7.81 97 F 8.40 4.15 0.00 3.50 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 98 A 8.48 3.83 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 99 V 7.45 3.48 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 1.00 0.00 0.00 1.04 0.00 0.00 100 N 7.95 4.33 0.00 2.60 2.71 0.00 0.00 7.01 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 0.00 101 H 7.54 4.13 0.00 3.23 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.88 3.81 1.99 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 1.54 0.85 0.89 0.00 0.00 103 T 7.57 3.94 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 1.27 0.00 0.00 104 R 7.37 4.26 0.00 1.79 1.93 0.00 3.19 0.00 0.00 3.04 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 105 K 7.82 3.83 0.00 2.03 1.99 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.58 7.81 106 I 7.71 3.99 1.97 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.97 0.00 0.00 107 S 8.44 4.47 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 0.00 108 A 8.54 4.03 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 0.00 109 A 7.90 4.00 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 0.00 110 E 8.12 4.12 0.00 2.25 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 2.55 0.00 111 F 8.54 4.14 0.00 3.28 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 0.00 112 G 8.13 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 0.00 113 K 8.04 4.14 0.00 1.90 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.77 7.81 114 I 7.64 3.68 1.49 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.72 0.00 0.00 115 N 8.23 4.43 0.00 2.96 2.88 0.00 0.00 6.70 7.06 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 0.00 116 G 7.64 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 0.00 117 P 0.00 4.20 0.00 2.04 2.14 0.00 3.66 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 2.00 2.10 0.00 118 I 7.65 3.48 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.54 0.00 0.00 119 K 8.08 3.90 0.00 1.95 1.99 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 7.93 3.96 0.00 1.95 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 121 V 7.69 3.54 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 0.69 0.00 0.00 0.91 0.00 0.00 122 L 8.04 4.07 0.00 1.94 1.94 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.25 4.16 1.41 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 0.00 124 S 8.12 4.19 0.00 4.03 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 0.00 125 K 7.78 4.40 0.00 2.12 2.04 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.52 7.81 126 N 8.29 4.24 0.00 2.61 2.80 0.00 0.00 6.81 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 0.00 127 F 8.18 4.35 0.00 3.04 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 0.00 128 G 8.67 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 0.00 129 D 8.86 4.51 0.00 2.82 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 0.00 130 K 8.19 3.84 0.00 1.76 1.70 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.03 1.37 7.81 131 Y 8.43 4.12 0.00 3.44 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 0.00 132 A 8.36 4.19 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 0.00 133 N 8.71 4.34 0.00 2.95 2.90 0.00 0.00 6.93 7.62 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 0.00 134 A 7.77 3.94 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 0.00 135 W 8.63 3.91 0.00 3.59 3.33 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 0.00 136 A 8.34 4.12 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 0.00 137 K 7.64 4.01 0.00 1.86 1.82 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.63 7.81 138 L 7.48 3.93 0.00 1.47 1.74 0.66 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.13 3.75 2.34 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 1.21 0.00 0.00 1.17 0.00 0.00 140 A 7.81 4.50 1.41 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 0.00 141 V 7.22 3.40 1.96 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 0.58 0.00 0.00 0.85 0.00 0.00 142 V 7.44 3.48 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 0.53 0.00 0.00 0.46 0.00 0.00 143 Q 8.10 3.91 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 144 A 7.82 4.13 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 0.00 145 A 7.58 4.47 1.22 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 0.00 146 L 7.48 4.18 0.00 1.58 1.50 0.56 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00