NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5188 8.2893 120.3294 54.6723 33.3425 175.4975 2 P 4.2952 0.0000 0.0000 63.3457 31.9955 171.3448 3 V 4.5232 7.2555 116.0897 60.7311 34.6870 174.0894 4 R 4.6920 8.1518 116.2903 55.1308 32.0441 174.2637 5 R 4.7666 8.4852 118.0316 54.5242 34.2789 173.5747 6 G 3.7358 8.8687 109.6108 45.0963 0.0000 174.1211 7 H 4.0076 9.6364 119.7088 56.0070 28.4551 173.3366 8 V 3.8291 7.6350 117.4557 62.1943 31.2690 175.5296 9 A 4.2851 8.3933 130.8605 50.7505 19.1681 174.9094 10 P 4.3435 0.0000 0.0000 62.8357 31.8193 176.7611 11 Q 4.3989 8.4498 122.3902 54.2215 30.0891 175.0879 12 N 4.6239 8.4670 116.6667 53.4303 37.2953 174.7729 13 T 4.4567 8.4846 108.9036 63.5740 70.4222 176.4143 14 F 4.0892 8.1221 123.5273 60.5849 39.5398 176.7262 15 L 4.0063 8.1013 119.5955 58.1936 41.9646 178.1691 16 D 4.3292 7.7239 118.3325 57.6024 41.0786 178.4452 17 T 3.9373 7.6391 116.3772 66.2793 68.3296 176.8026 18 I 3.7834 7.7842 122.2414 64.1521 37.0646 178.3152 19 I 3.6744 7.6104 120.1741 64.6272 36.7976 178.5670 20 R 4.0636 7.8773 117.4088 59.1820 29.9072 179.0356 21 K 4.2256 8.0877 117.7074 59.4838 32.1539 179.1233 22 F 4.2957 8.5383 117.5260 58.9027 39.1184 175.8927 23 E 4.4796 8.1741 116.2632 54.9809 31.1368 176.4021 24 G 3.9560 8.2455 107.2259 45.5363 0.0000 175.0642 25 Q 4.5017 8.0263 119.7284 57.9224 29.7094 177.1400 26 S 4.4006 7.7595 111.4576 60.5703 62.9073 173.8657 27 R 4.7438 7.5094 117.7695 54.1395 32.7391 175.0387 28 K 4.6831 8.3916 118.5168 55.6567 33.9846 176.0771 29 F 5.4471 8.0037 117.5923 56.1302 41.0339 172.7676 30 I 5.0073 8.9296 113.0867 59.5046 41.4994 173.6451 31 I 5.0629 8.9991 124.3389 59.6910 39.7064 174.6046 32 A 5.1782 9.1346 127.9264 49.7470 23.1054 174.6577 33 N 4.6093 8.7784 119.9889 53.8491 39.3170 175.6383 34 A 4.2316 8.7667 129.2194 54.3096 18.5780 178.8850 35 R 3.9919 8.1412 114.0705 58.7822 30.8031 177.6615 36 V 3.7617 8.5420 119.1499 62.3430 32.1087 176.2146 37 E 3.9838 8.9988 128.6354 59.3671 29.5870 177.4928 38 N 4.4535 8.1734 113.2607 53.4562 38.4934 174.1165 39 C 4.6618 8.3797 116.3485 59.6316 26.0727 172.2673 40 A 4.5717 7.7671 122.2379 51.7783 19.2004 178.4619 41 V 4.1392 8.9797 123.3902 63.5468 31.9303 176.3446 42 I 4.3780 8.6958 121.6350 61.7668 39.2115 174.9751 43 Y 4.7725 7.6625 122.4388 56.8471 41.9769 172.6773 44 C 4.4720 7.0300 117.6595 56.5151 32.6366 174.6328 45 N 4.5532 7.6224 120.7321 53.9612 39.8486 174.5943 46 D 5.0162 8.8314 113.1689 55.2109 42.6161 178.4841 47 G 3.4586 7.9917 106.5425 47.3469 0.0000 175.5413 48 F 4.3091 8.4887 116.6851 59.9491 37.6482 176.8412 49 C 3.4521 6.9478 118.4586 62.2394 31.1281 175.4458 50 E 3.8299 7.2790 118.0341 58.8265 29.0587 178.7647 51 L 3.8987 7.6655 120.0719 57.7668 42.4561 177.7169 52 C 4.1358 7.6579 117.1956 58.6403 31.7342 175.0497 53 G 3.8348 7.7323 107.7053 45.2726 0.0000 173.6057 54 Y 4.6003 6.5592 119.5007 56.4730 39.7530 174.5011 55 S 4.6021 8.2446 113.0534 56.2810 67.4937 174.5879 56 R 3.9798 9.0074 122.1048 60.1095 29.3978 178.5261 57 A 3.9717 8.0484 118.0184 54.9282 18.2629 178.5732 58 E 4.1233 7.8614 115.9486 58.4741 30.2035 178.3208 59 V 3.6270 7.3711 115.7858 63.5430 32.2362 176.0080 60 M 4.1759 7.7242 118.6295 56.4149 32.3989 175.7723 61 Q 3.5776 7.9633 120.1498 57.3759 27.1655 173.8925 62 R 4.8256 7.5509 114.3136 53.2281 34.0018 173.5846 63 P 4.9609 0.0000 0.0000 62.7705 31.8921 177.2644 64 C 4.4941 8.8207 117.0859 60.3547 29.7551 174.9422 65 T 3.9804 8.0519 110.4151 63.1414 68.4895 173.6345 66 C 4.1653 8.1651 118.5026 60.3046 26.5439 174.7262 67 D 3.7338 7.7139 120.2694 57.0491 40.9743 178.0207 68 F 4.1777 6.7668 116.4931 60.1193 39.2143 175.9814 69 L 4.4917 8.0114 119.4391 55.9683 41.7993 176.3496 70 H 4.7534 7.9370 117.4232 55.6714 29.2658 175.1173 71 G 4.3155 8.5808 115.8465 43.4156 0.0000 171.7546 72 P 4.2437 0.0000 0.0000 65.4909 31.5730 177.6200 73 R 4.1398 7.8245 116.2120 57.8140 30.5091 176.8861 74 T 3.9290 7.3101 115.6123 63.3374 69.0741 174.7198 75 Q 4.2777 8.3977 125.0321 54.8377 29.6848 176.9602 76 R 3.8573 8.4980 126.3074 59.2485 30.1895 178.2699 77 R 3.8787 7.9365 118.1298 59.1676 30.0882 178.2237 78 A 3.9683 7.9050 120.0185 55.0079 18.2586 179.0968 79 A 3.9553 8.1691 119.1615 55.2719 18.2586 179.8777 80 A 3.9480 7.9664 118.9905 55.5848 18.5058 179.8668 81 Q 3.9720 8.1358 116.5558 59.1034 28.4874 179.2389 82 I 3.6701 7.8231 119.9525 64.3906 37.1053 178.0146 83 A 4.1216 7.7351 121.3039 55.3166 18.2431 179.7658 84 Q 4.0308 8.5989 116.6820 58.7347 28.5647 178.6060 85 A 3.9825 8.2067 122.1440 54.8914 18.1266 179.1936 86 L 3.1441 7.1968 114.5951 56.3724 41.8021 177.9984 87 L 4.3353 7.7561 118.0526 55.6540 42.2391 177.2796 88 G 3.9461 7.5354 107.2644 44.6625 0.0000 173.6728 89 A 4.5326 8.4617 122.3306 52.1633 19.4753 176.8082 90 E 4.9084 7.6425 114.2284 53.6955 33.4044 175.4665 91 E 4.3463 8.7041 122.3962 56.8501 30.6649 176.2192 92 R 4.6246 8.7849 125.7679 55.1349 33.9177 173.5033 93 K 5.1109 8.7157 125.5223 54.8337 34.5447 175.8608 94 V 4.4778 8.9078 123.2961 61.1515 35.2818 173.3564 95 E 5.0879 8.6094 127.7061 54.6791 31.5090 174.5980 96 I 4.5201 8.2848 124.5627 59.8195 42.1664 172.8206 97 A 4.6802 8.9157 130.9439 51.4683 19.2302 176.9105 98 F 5.4842 8.5187 121.4404 55.8126 42.5107 174.5202 99 Y 4.9420 8.5364 119.3968 56.1397 39.8201 174.7748 100 R 4.3224 8.6058 121.2097 54.3137 32.1652 177.4519 101 K 3.7465 8.1583 123.9738 59.1616 32.1483 178.3104 102 D 4.3582 7.8101 116.8461 54.4806 39.5566 177.0349 103 G 4.1098 8.2479 108.0313 45.0939 0.0000 173.8173 104 S 4.6627 8.6778 116.4384 58.2952 64.8775 172.7665 105 C 5.4897 8.2836 117.8912 58.4169 32.6920 172.8583 106 F 5.2221 8.1064 112.5912 55.9447 41.2777 173.3361 107 L 4.5296 9.0943 122.3225 55.0567 42.5504 175.4272 108 C 5.2146 8.9830 125.5748 57.7253 34.0864 172.0584 109 L 4.7715 9.1432 128.7229 54.2462 43.2057 175.1336 110 V 4.7878 8.9180 127.6205 61.4847 33.5559 173.8137 111 D 5.3897 8.8449 128.2270 52.3823 43.7066 174.8296 112 V 4.4396 8.6947 127.4341 60.9170 33.3572 175.1881 113 V 4.4780 9.0878 126.0960 60.1871 33.4128 172.7088 114 P 4.8345 0.0000 0.0000 62.7309 32.5103 175.7367 115 V 4.2284 8.7659 124.5303 61.2179 32.9560 175.0421 116 K 4.8688 8.5902 127.6535 55.7905 33.7745 176.7864 117 N 4.7656 8.6178 120.9231 51.3010 39.4996 175.5162 118 E 4.0014 8.6388 115.0668 59.1570 29.5124 177.1955 119 D 4.5429 8.5121 117.8251 53.8594 41.2397 176.9333 120 G 3.7919 8.2266 107.1957 45.8819 0.0000 173.2430 121 A 4.7007 7.6073 121.6125 49.5834 21.2741 177.1698 122 V 4.1958 8.1510 121.0600 61.2559 32.2755 175.8781 123 I 4.3908 8.3838 117.3210 60.6090 40.3678 175.1527 124 M 5.1475 7.6844 120.7950 53.3151 36.4359 174.1763 125 F 5.4332 8.9673 120.1551 55.9692 42.1981 174.6025 126 I 4.8440 8.8000 124.4147 59.9176 39.0585 174.4828 127 L 4.9141 8.8335 127.8632 53.2307 43.6246 175.5253 128 N 5.2327 8.9476 121.8093 51.6920 41.2909 173.9792 129 F 5.7648 8.9091 120.1255 56.0231 42.3608 174.7535 130 E 4.7852 9.1305 121.4656 54.6824 34.1285 174.7051 131 V 4.4294 8.5489 124.7778 62.8396 31.3890 175.7391 132 V 4.1117 8.7975 128.8010 63.4529 33.0808 176.1804 133 M 4.3594 7.6493 118.9896 54.6208 34.8629 173.0987 134 E 4.6135 8.9638 128.6793 55.8230 30.7405 176.4357 135 K 4.3343 8.5327 125.1245 56.5600 32.3006 176.0148 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 4.52 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 2 P 0.00 4.30 0.00 2.27 2.19 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 3 V 7.26 4.52 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 0.94 0.00 0.00 4 R 8.15 4.69 0.00 1.90 1.90 0.00 2.98 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 5 R 8.49 4.77 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 6 G 8.87 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 7 H 9.64 4.01 0.00 3.33 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.64 3.83 2.12 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 0.91 0.00 0.00 0.99 0.00 0.00 9 A 8.39 4.29 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 10 P 0.00 4.34 0.00 2.21 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 11 Q 8.45 4.40 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.20 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 12 N 8.47 4.62 0.00 2.87 2.85 0.00 0.00 5.84 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 13 T 8.48 4.46 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 1.26 0.00 0.00 14 F 8.12 4.09 0.00 3.20 3.10 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 15 L 8.10 4.01 0.00 1.87 1.70 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.72 4.33 0.00 3.23 2.84 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 17 T 7.64 3.94 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 1.09 0.00 0.00 18 I 7.78 3.78 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.18 0.56 0.00 0.00 19 I 7.61 3.67 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.49 0.99 0.00 0.00 20 R 7.88 4.06 0.00 1.98 2.21 0.00 3.36 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 21 K 8.09 4.23 0.00 2.10 2.01 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.62 7.81 22 F 8.54 4.30 0.00 3.14 3.14 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 23 E 8.17 4.48 0.00 2.11 2.12 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 2.49 2.46 0.00 24 G 8.25 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.03 4.50 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.93 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 26 S 7.76 4.40 0.00 4.00 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 27 R 7.51 4.74 0.00 2.03 1.98 0.00 3.30 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 28 K 8.39 4.68 0.00 2.25 2.09 0.00 1.76 0.00 0.00 2.03 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.70 1.58 7.81 29 F 8.00 5.45 0.00 3.06 3.22 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 30 I 8.93 5.01 1.86 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.58 0.00 0.00 31 I 9.00 5.06 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.95 0.00 0.00 32 A 9.13 5.18 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 33 N 8.78 4.61 0.00 2.85 2.75 0.00 0.00 7.03 8.18 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 34 A 8.77 4.23 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.14 3.99 0.00 1.94 1.98 0.00 3.33 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 36 V 8.54 3.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 37 E 9.00 3.98 0.00 1.99 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 2.32 2.33 0.00 38 N 8.17 4.45 0.00 2.90 2.96 0.00 0.00 6.11 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 39 C 8.38 4.66 0.00 3.26 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 40 A 7.77 4.57 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 41 V 8.98 4.14 2.21 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 1.02 0.00 0.00 1.03 0.00 0.00 42 I 8.70 4.38 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 1.00 0.00 0.00 43 Y 7.66 4.77 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.03 4.47 0.00 1.23 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 0.00 0.00 0.00 0.00 45 N 7.62 4.55 0.00 1.84 2.39 0.00 0.00 6.43 8.25 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 46 D 8.83 5.02 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 3.46 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 0.00 48 F 8.49 4.31 0.00 3.56 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.95 3.45 0.00 2.34 2.90 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 50 E 7.28 3.83 0.00 1.87 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 0.00 2.26 2.22 0.00 51 L 7.67 3.90 0.00 1.68 1.88 1.04 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 C 7.66 4.14 0.00 2.26 1.18 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 53 G 7.73 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 6.56 4.60 0.00 2.86 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 55 S 8.24 4.60 0.00 3.82 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 56 R 9.01 3.98 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 57 A 8.05 3.97 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 58 E 7.86 4.12 0.00 1.95 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 2.25 2.42 0.00 59 V 7.37 3.63 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 0.78 0.00 0.00 -0.24 0.00 0.00 60 M 7.72 4.18 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 61 Q 7.96 3.58 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 62 R 7.55 4.83 0.00 1.94 1.90 0.00 2.70 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 63 P 0.00 4.96 0.00 2.27 2.31 0.00 4.08 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 64 C 8.82 4.49 0.00 3.22 3.29 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 65 T 8.05 3.98 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 1.23 0.00 0.00 66 C 8.17 4.17 0.00 3.07 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 67 D 7.71 3.73 0.00 2.44 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 0.00 0.00 0.00 0.00 68 F 6.77 4.18 0.00 3.13 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.01 4.49 0.00 1.17 1.42 0.20 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.94 4.75 0.00 3.14 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.58 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 0.00 0.00 0.00 0.00 72 P 0.00 4.24 0.00 2.17 2.17 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 73 R 7.82 4.14 0.00 1.82 2.01 0.00 3.37 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 74 T 7.31 3.93 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 1.13 0.00 0.00 75 Q 8.40 4.28 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 76 R 8.50 3.86 0.00 1.89 1.91 0.00 3.21 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 77 R 7.94 3.88 0.00 1.94 1.89 0.00 3.27 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 78 A 7.91 3.97 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 79 A 8.17 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 80 A 7.97 3.95 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 81 Q 8.14 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 82 I 7.82 3.67 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 1.01 0.00 0.00 83 A 7.74 4.12 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 84 Q 8.60 4.03 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 85 A 8.21 3.98 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 86 L 7.20 3.14 0.00 1.71 1.61 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.76 4.34 0.00 1.78 1.74 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.54 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 89 A 8.46 4.53 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 90 E 7.64 4.91 0.00 1.84 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 2.21 2.28 0.00 91 E 8.70 4.35 0.00 1.99 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 2.44 0.00 92 R 8.78 4.62 0.00 1.93 1.66 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 93 K 8.72 5.11 0.00 1.66 1.70 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.40 7.81 94 V 8.91 4.48 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 1.13 0.00 0.00 0.91 0.00 0.00 95 E 8.61 5.09 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 96 I 8.28 4.52 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.83 0.29 0.00 0.00 97 A 8.92 4.68 1.17 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 0.00 0.00 98 F 8.52 5.48 0.00 2.15 2.41 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 99 Y 8.54 4.94 0.00 2.99 2.84 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 0.00 100 R 8.61 4.32 0.00 1.97 1.99 0.00 3.26 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 101 K 8.16 3.75 0.00 1.67 1.75 0.00 1.25 0.00 0.00 1.52 0.00 0.00 3.26 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.38 7.81 102 D 7.81 4.36 0.00 2.76 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 0.00 103 G 8.25 4.11 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 0.00 0.00 0.00 104 S 8.68 4.66 0.00 3.94 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 0.00 105 C 8.28 5.49 0.00 3.02 2.78 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 0.00 106 F 8.11 5.22 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.09 4.53 0.00 1.79 1.67 0.87 0.68 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 0.00 108 C 8.98 5.21 0.00 3.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.14 4.77 0.00 1.80 1.59 0.99 0.82 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 0.00 110 V 8.92 4.79 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 1.15 0.00 0.00 1.30 0.00 0.00 111 D 8.84 5.39 0.00 2.81 2.47 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 0.00 112 V 8.69 4.44 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 0.48 0.00 0.00 0.73 0.00 0.00 113 V 9.09 4.48 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 1.14 0.00 0.00 0.96 0.00 0.00 114 P 0.00 4.83 0.00 2.17 2.30 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 115 V 8.77 4.23 2.12 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 0.85 0.00 0.00 0.90 0.00 0.00 116 K 8.59 4.87 0.00 1.65 1.68 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 117 N 8.62 4.77 0.00 2.89 2.93 0.00 0.00 7.13 8.48 0.00 0.00 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 E 8.64 4.00 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 119 D 8.51 4.54 0.00 2.78 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 0.00 120 G 8.23 3.79 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 0.00 0.00 0.00 121 A 7.61 4.70 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 0.00 122 V 8.15 4.20 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 0.82 0.00 0.00 0.63 0.00 0.00 123 I 8.38 4.39 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.51 0.91 0.00 0.00 124 M 7.68 5.15 0.00 1.90 1.86 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 2.50 2.49 0.00 125 F 8.97 5.43 0.00 2.99 2.84 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 0.00 126 I 8.80 4.84 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.94 0.00 0.00 127 L 8.83 4.91 0.00 1.56 1.22 0.92 0.85 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 0.00 128 N 8.95 5.23 0.00 2.58 2.88 0.00 0.00 6.59 7.68 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 0.00 129 F 8.91 5.76 0.00 3.11 3.12 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 0.00 130 E 9.13 4.79 0.00 1.98 1.83 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 2.29 2.33 0.00 131 V 8.55 4.43 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 0.85 0.00 0.00 0.34 0.00 0.00 132 V 8.80 4.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 133 M 7.65 4.36 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 134 E 8.96 4.61 0.00 2.03 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 2.33 2.41 0.00 135 K 8.53 4.33 0.00 1.71 1.68 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81