NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.2241 8.3344 115.2922 58.6782 62.9109 170.2630 7 V 3.2188 7.6702 122.1671 61.5472 30.9679 169.5392 8 L 4.4854 7.7255 120.3168 53.0399 44.2797 177.2182 9 S 4.4574 8.4986 118.3767 57.9128 64.4215 174.4029 10 G 3.5767 8.5059 107.8733 48.0393 0.0000 175.6901 11 K 4.0054 7.9584 122.4213 58.7222 32.2629 178.9483 12 K 4.0061 7.9961 118.2850 59.1371 31.9279 179.0069 13 A 4.0794 8.2317 121.1950 54.9713 18.0172 179.4631 14 D 4.3284 7.6967 116.6513 57.5336 41.1678 178.4314 15 E 4.0914 8.0783 118.7526 59.0301 29.4322 178.9585 16 L 3.8814 7.8592 120.4520 58.3558 42.0310 178.8303 17 E 4.6516 7.7158 117.1092 57.6787 29.4433 178.3146 18 K 4.3674 7.7340 117.3940 55.8298 33.0423 176.1420 19 I 4.5219 7.4657 121.9349 60.1903 38.8632 175.4948 20 R 4.5708 8.8934 126.4991 55.8306 30.8513 177.7719 21 L 3.8486 8.5081 123.3714 57.2626 41.9417 178.0305 22 R 4.6958 7.6844 115.6019 53.3610 34.0465 174.0320 23 P 3.7881 0.0000 0.0000 65.4112 31.6345 177.8586 24 G 3.7410 7.6264 105.4768 47.3376 0.0000 174.4278 25 G 3.9035 7.8681 107.5388 45.6481 0.0000 172.8061 26 K 4.3961 8.2126 116.4888 56.2992 33.6562 177.4632 27 K 4.2120 7.8386 119.5510 56.2897 33.0097 176.2625 28 K 5.0744 8.3415 122.6016 54.2710 35.7618 175.4825 29 Y 4.0322 8.7536 119.4703 58.7303 39.2942 175.6314 30 M 5.2617 8.7712 120.6740 52.7684 36.7744 176.1692 31 L 4.1270 8.5260 118.8153 57.8757 41.5483 179.7410 32 K 4.0201 8.1417 118.4549 60.4337 32.2437 178.7471 33 H 4.4034 8.2503 117.3323 58.6223 28.6342 177.8467 34 V 3.8117 7.8215 119.8414 65.7529 31.4932 178.1888 35 V 3.6569 8.0196 118.3025 65.5909 31.3094 177.8257 36 W 4.1162 8.4288 128.0166 60.4302 30.5554 177.7842 37 A 3.8677 8.5220 120.5668 55.1162 17.7663 179.3834 38 A 3.9322 8.0839 119.2600 55.5381 18.4562 179.6958 39 N 4.2298 8.1520 114.9252 56.2735 38.4148 177.3522 40 E 3.5696 7.8861 121.0309 58.7994 29.4533 178.8731 41 L 4.0906 7.9754 119.4309 57.5562 41.6645 178.7195 42 D 4.2616 7.7802 117.8001 57.5170 40.9468 178.1691 43 R 3.7907 7.2658 117.1013 59.2083 29.8932 177.3368 44 F 4.8800 7.3466 114.7698 56.8383 39.0594 176.3717 45 G 3.9319 8.2253 106.2706 46.0615 0.0000 173.8477 46 L 4.6476 7.9343 118.6005 52.3008 43.9232 176.2058 47 A 4.2309 8.3067 124.8011 51.7080 19.0802 178.7747 48 E 4.1400 8.8255 122.2733 58.8894 29.7767 179.2107 49 S 4.2740 8.0512 114.8335 60.7499 63.1192 175.9017 50 L 4.1364 7.9371 122.8194 57.1793 40.4501 178.6890 51 L 4.2622 7.9676 118.6994 56.7312 41.3952 178.5683 52 E 4.0857 8.0141 118.1039 58.2645 29.8387 176.5312 53 N 4.4945 7.4457 116.3723 50.0235 41.7820 175.0683 54 K 3.7600 8.3707 121.2273 59.8516 32.1190 178.5158 55 E 4.1645 8.1795 118.3862 59.3410 29.5316 179.3750 56 G 4.2079 8.8789 107.5323 47.7102 0.0000 175.6199 57 C 4.3086 8.2813 119.1692 62.6370 28.1644 176.2023 58 Q 3.9895 8.4384 119.8260 58.7356 28.2680 178.8975 59 K 3.9824 8.1728 119.5315 59.5612 32.1651 179.3756 60 I 3.7270 7.6918 119.8144 64.5105 36.9681 178.4796 61 L 4.0743 8.1747 120.1446 57.8254 41.1708 179.7302 62 S 4.1739 8.0238 113.2965 61.1324 63.1922 176.5186 63 V 3.8372 7.5237 114.8061 63.5980 31.7695 177.9513 64 L 4.1430 8.1077 118.6238 56.9057 41.6207 178.6425 65 A 3.8132 8.3200 121.6263 54.9573 18.0651 178.0561 66 P 4.1994 0.0000 0.0000 65.7022 31.6806 177.8908 67 L 4.1506 7.7809 117.7226 56.1618 41.6856 179.0924 68 V 3.5117 7.1763 118.7215 65.5799 31.1869 176.0483 69 P 4.3132 0.0000 0.0000 64.7296 31.0733 177.0256 70 T 4.5303 7.1492 103.9496 61.0034 69.1068 174.3228 71 G 3.8093 7.7446 110.9910 45.1322 0.0000 174.6801 72 S 4.4696 8.2778 115.7743 57.6639 65.2692 175.1382 73 E 4.0336 8.6874 120.8971 59.6115 29.1038 179.4101 74 N 4.6853 8.2730 116.2458 56.1697 38.7344 177.0535 75 L 4.0400 7.9538 121.7297 58.2784 42.2637 179.2617 76 K 4.0952 8.3369 118.4758 59.5941 31.9578 179.6251 77 S 4.3120 8.6504 115.8390 61.2605 62.7522 176.4358 78 L 4.3856 8.5564 123.2612 58.4989 41.9408 178.3444 79 Y 4.0564 8.3376 119.4893 60.8419 38.8459 177.8307 80 N 4.4164 8.5391 117.3731 56.7594 38.6784 177.5875 81 T 3.9643 8.2385 117.1370 66.6449 68.4884 177.0593 82 V 3.6401 8.0308 120.2352 65.9196 31.4972 177.8734 83 C 3.9634 7.8595 116.6740 62.7034 27.9559 176.1560 84 V 3.5022 7.5163 119.3033 66.2014 31.0645 178.1947 85 I 3.6416 7.8250 119.4619 63.8147 36.7840 178.2814 86 W 4.0266 8.5441 129.7320 60.7343 30.5882 177.8004 87 C 4.0558 8.4651 116.6597 62.8481 27.5860 176.2871 88 I 3.5972 7.5429 121.3450 64.7606 36.4822 178.2982 89 H 4.1809 7.8426 115.4902 58.2321 28.5779 176.8555 90 A 3.8725 7.3907 120.0133 51.0813 18.8504 176.6637 91 E 3.5598 7.5011 115.5506 57.2360 27.4707 174.5085 92 E 4.3503 8.2287 118.7984 54.3669 30.5036 176.3654 93 K 4.0990 8.6074 126.0555 56.2591 32.3763 176.2380 94 V 4.5140 8.0756 119.1711 59.4713 35.0422 175.6148 95 K 4.1890 8.8637 123.6955 58.6923 32.7307 175.7807 96 H 5.9313 7.5166 114.3281 54.8091 32.2685 174.1585 97 T 3.9942 8.6385 110.6577 65.0301 68.5163 176.2493 98 E 4.0623 8.3789 121.1260 59.2693 29.5499 178.6839 99 E 4.0213 8.3583 118.7473 58.9501 29.7100 178.5483 100 A 4.0701 7.7568 121.3047 54.9944 18.4389 179.7664 101 K 3.9390 8.1930 117.0952 59.7468 32.1514 179.6767 102 Q 4.0508 8.1526 118.3522 58.9430 28.6036 178.8624 103 I 3.8808 7.9502 121.0367 64.2065 37.0985 178.5612 104 V 2.9108 7.9253 119.3090 65.7469 31.2758 177.9285 105 Q 3.8711 8.1448 119.3614 59.0801 28.6854 178.0537 106 R 3.8591 7.8385 118.7583 59.6687 30.1816 177.6700 107 H 4.5302 8.0578 114.4644 57.1003 29.1775 176.0819 108 L 4.4580 8.0412 118.4723 54.2000 43.4803 176.1709 109 V 4.3451 7.5420 119.0668 61.1256 32.7147 175.3620 110 V 3.8870 8.5792 129.3194 62.2938 32.6600 174.5798 111 E 4.8236 8.7739 130.4629 54.3022 28.7964 176.0498 112 T 4.3196 8.1439 122.9609 60.3093 69.4780 175.6634 113 G 4.0111 7.6273 118.2196 47.2380 0.0000 173.1367 114 T 4.3596 8.6290 116.1852 62.8655 68.9072 174.3932 115 A 4.3260 7.7745 124.8168 51.1125 21.2756 175.8155 116 E 4.8863 8.7502 123.5210 55.5944 30.6968 175.5076 117 T 4.5319 8.5118 120.0207 60.4052 70.3824 173.1548 118 M 4.9368 8.3542 126.3587 52.8673 33.8059 173.7495 119 P 4.4240 0.0000 0.0000 62.9576 31.5091 176.6258 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 6 S 8.33 4.22 0.00 3.86 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 7 V 7.67 3.22 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 0.83 0.00 0.00 0.96 0.00 0.00 8 L 7.73 4.49 0.00 1.67 1.58 0.89 0.77 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 9 S 8.50 4.46 0.00 3.88 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 10 G 8.51 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 11 K 7.96 4.01 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 12 K 8.00 4.01 0.00 1.90 1.78 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 13 A 8.23 4.08 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 14 D 7.70 4.33 0.00 2.87 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 15 E 8.08 4.09 0.00 2.12 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 0.00 2.53 2.42 0.00 16 L 7.86 3.88 0.00 1.88 1.87 1.06 0.90 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 17 E 7.72 4.65 0.00 2.09 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 2.39 2.36 0.00 18 K 7.73 4.37 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.68 7.81 19 I 7.47 4.52 2.08 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 1.42 0.78 0.99 0.00 0.00 20 R 8.89 4.57 0.00 1.98 2.01 0.00 3.17 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 21 L 8.51 3.85 0.00 1.36 1.49 0.69 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.68 4.70 0.00 1.76 1.71 0.00 3.11 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 23 P 0.00 3.79 0.00 1.94 1.94 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 24 G 7.63 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 25 G 7.87 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 26 K 8.21 4.40 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.42 7.81 27 K 7.84 4.21 0.00 1.64 1.65 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.43 7.81 28 K 8.34 5.07 0.00 1.61 1.89 0.00 1.77 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.62 7.81 29 Y 8.75 4.03 0.00 3.19 2.92 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 0.00 0.00 0.00 30 M 8.77 5.26 0.00 2.04 1.94 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 2.82 2.57 0.00 31 L 8.53 4.13 0.00 1.76 1.76 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.14 4.02 0.00 1.95 2.07 0.00 1.36 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.24 7.81 33 H 8.25 4.40 0.00 3.70 3.64 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.82 3.81 2.26 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 1.09 0.00 0.00 1.01 0.00 0.00 35 V 8.02 3.66 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 0.99 0.00 0.00 1.01 0.00 0.00 36 W 8.43 4.12 0.00 3.58 3.45 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 37 A 8.52 3.87 1.57 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 38 A 8.08 3.93 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 39 N 8.15 4.23 0.00 2.75 2.71 0.00 0.00 6.68 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 40 E 7.89 3.57 0.00 1.16 1.56 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 1.69 2.27 0.00 41 L 7.98 4.09 0.00 1.91 1.87 0.95 0.81 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 42 D 7.78 4.26 0.00 2.61 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 43 R 7.27 3.79 0.00 1.53 1.66 0.00 2.81 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.36 0.00 44 F 7.35 4.88 0.00 2.99 2.97 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 45 G 8.23 3.93 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 0.00 0.00 0.00 46 L 7.93 4.65 0.00 1.67 1.62 0.96 0.99 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 47 A 8.31 4.23 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 48 E 8.83 4.14 0.00 2.21 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 0.00 2.36 2.37 0.00 49 S 8.05 4.27 0.00 4.20 4.17 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 50 L 7.94 4.14 0.00 1.82 1.90 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.97 4.26 0.00 1.85 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.01 4.09 0.00 2.04 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 2.36 2.35 0.00 53 N 7.45 4.49 0.00 3.02 2.75 0.00 0.00 6.42 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.37 3.76 0.00 1.61 1.74 0.00 1.23 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 0.75 7.81 55 E 8.18 4.16 0.00 2.10 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 2.41 2.47 0.00 56 G 8.88 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 0.00 0.00 0.00 57 C 8.28 4.31 0.00 3.42 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 58 Q 8.44 3.99 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.48 3.06 0.00 59 K 8.17 3.98 0.00 2.02 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 60 I 7.69 3.73 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 0.94 0.00 0.00 61 L 8.17 4.07 0.00 1.94 1.65 0.55 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.02 4.17 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.52 3.84 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 0.86 0.00 0.00 1.01 0.00 0.00 64 L 8.11 4.14 0.00 2.04 1.88 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.32 3.81 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 66 P 0.00 4.20 0.00 2.19 2.17 0.00 3.75 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 2.04 2.03 0.00 67 L 7.78 4.15 0.00 1.73 1.63 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.18 3.51 1.80 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 0.71 0.00 0.00 0.33 0.00 0.00 69 P 0.00 4.31 0.00 2.00 2.06 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 70 T 7.15 4.53 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 1.18 0.00 0.00 71 G 7.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.28 4.47 0.00 4.15 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 73 E 8.69 4.03 0.00 2.06 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 2.43 2.37 0.00 74 N 8.27 4.69 0.00 2.99 3.17 0.00 0.00 6.79 6.74 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 75 L 7.95 4.04 0.00 1.67 1.86 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.34 4.10 0.00 2.03 1.90 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 77 S 8.65 4.31 0.00 4.14 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 78 L 8.56 4.39 0.00 2.08 2.06 1.04 0.83 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 79 Y 8.34 4.06 0.00 3.08 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 80 N 8.54 4.42 0.00 3.12 2.99 0.00 0.00 7.06 6.75 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 81 T 8.24 3.96 4.63 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 1.41 0.00 0.00 82 V 8.03 3.64 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 1.12 0.00 0.00 1.05 0.00 0.00 83 C 7.86 3.96 0.00 3.12 2.87 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 84 V 7.52 3.50 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.74 0.00 0.00 85 I 7.82 3.64 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.87 0.00 0.00 86 W 8.54 4.03 0.00 3.44 3.37 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 87 C 8.47 4.06 0.00 3.24 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 88 I 7.54 3.60 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.78 0.00 0.00 89 H 7.84 4.18 0.00 2.99 3.14 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.39 3.87 0.22 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 91 E 7.50 3.56 0.00 2.07 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 2.16 2.15 0.00 92 E 8.23 4.35 0.00 1.88 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 2.11 2.40 0.00 93 K 8.61 4.10 0.00 1.68 1.73 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.51 7.81 94 V 8.08 4.51 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 0.80 0.00 0.00 0.91 0.00 0.00 95 K 8.86 4.19 0.00 1.78 1.75 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.37 7.81 96 H 7.52 5.93 0.00 3.45 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.64 3.99 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 1.68 0.00 0.00 98 E 8.38 4.06 0.00 2.09 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 2.40 2.31 0.00 99 E 8.36 4.02 0.00 1.88 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 2.38 2.37 0.00 100 A 7.76 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.19 3.94 0.00 2.05 1.96 0.00 1.96 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.59 1.66 7.81 102 Q 8.15 4.05 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 103 I 7.95 3.88 1.99 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 1.49 1.05 1.18 0.00 0.00 104 V 7.93 2.91 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 0.72 0.00 0.00 0.47 0.00 0.00 105 Q 8.14 3.87 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 106 R 7.84 3.86 0.00 2.01 2.05 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 107 H 8.06 4.53 0.00 3.13 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.04 4.46 0.00 1.44 1.54 0.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.54 4.35 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 0.76 0.00 0.00 0.90 0.00 0.00 110 V 8.58 3.89 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 0.84 0.00 0.00 0.92 0.00 0.00 111 E 8.77 4.82 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 112 T 8.14 4.32 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 1.20 0.00 0.00 113 G 7.63 4.01 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 0.00 0.00 0.00 114 T 8.63 4.36 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 1.20 0.00 0.00 115 A 7.77 4.33 1.20 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 0.00 116 E 8.75 4.89 0.00 1.82 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 2.20 2.25 0.00 117 T 8.51 4.53 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 1.26 0.00 0.00 118 M 8.35 4.94 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 119 P 0.00 4.42 0.00 2.08 1.97 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00