NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5036 8.1933 115.5601 58.1175 64.0062 173.0934 13 S 4.6152 8.6936 122.5183 57.1156 63.9256 172.9080 14 C 4.2750 8.4524 122.8903 57.7287 45.2691 172.8219 15 K 4.5160 8.7438 123.9698 55.8172 36.2926 174.4574 16 R 4.6020 8.3147 121.1613 56.3815 30.7467 175.0338 17 H 5.0359 8.9970 122.9898 52.8579 32.4393 171.6595 18 P 4.8100 0.0000 0.0000 63.2888 32.4573 176.0460 19 L 4.1543 7.9518 120.5419 54.9585 44.6420 172.2902 20 Y 4.3852 8.5378 128.7859 56.1234 40.1472 174.7347 21 V 3.6652 7.6934 127.8062 61.5627 32.4149 173.8345 22 D 4.5758 8.0168 128.5165 52.6970 42.4060 177.3195 23 F 4.7267 8.6576 125.3181 60.3731 38.9350 178.0880 24 S 4.1930 8.5119 115.4105 61.7825 62.4465 176.0832 25 D 4.3940 7.7085 119.2670 57.1093 40.6758 178.5584 26 V 3.9459 7.5947 109.1496 60.3015 32.1740 175.9604 27 G 3.8744 7.8415 106.2838 46.8783 0.0000 174.3314 28 W 5.3190 8.8590 117.0246 56.1744 29.7691 177.6410 29 N 4.4870 8.4772 120.2910 56.6542 38.4828 176.3548 30 D 4.4063 8.3068 115.9588 54.6284 40.1845 176.3624 31 W 4.6920 8.0912 128.8682 57.9746 32.7140 174.7599 32 I 4.2790 7.5903 119.3518 59.5772 37.1688 176.0950 33 V 3.8255 8.3347 119.9253 63.7030 32.1243 176.6748 34 A 4.5390 7.3135 119.6165 50.4257 20.8648 174.0379 35 P 4.9366 0.0000 0.0000 61.1959 32.8277 175.5282 36 P 4.5131 0.0000 0.0000 64.1587 31.3950 176.1843 37 G 3.1712 6.6673 103.3305 46.0961 0.0000 170.7844 38 Y 4.6785 6.2600 115.2573 55.9414 41.6037 174.0634 39 H 4.3764 8.7973 118.2650 55.6804 28.6225 174.8683 40 A 4.1815 8.3546 127.0681 52.1526 20.1200 178.1203 41 F 4.1525 7.8609 114.8710 57.3107 38.5034 173.0377 42 Y 5.0659 8.2899 117.7417 56.5874 41.5353 172.8450 43 C 5.4288 8.7243 117.2387 55.9011 39.7620 172.9911 44 H 4.7419 8.8390 120.2190 55.6658 33.4540 172.4348 45 G 4.5532 8.7041 109.9396 42.5683 0.0000 172.8121 46 E 3.9942 8.7714 121.8765 56.2912 30.0314 175.5390 47 C 4.8726 8.4669 122.9135 54.7381 39.9788 171.9557 48 P 4.6676 0.0000 0.0000 61.3264 32.5765 175.4878 49 F 4.4515 8.4560 121.0183 56.4770 40.1010 173.5278 50 P 3.5778 0.0000 0.0000 61.3578 32.3846 175.2135 51 L 4.1885 7.9050 118.6774 53.3323 42.1166 177.1654 52 A 4.1764 8.1500 126.7502 51.2881 19.5982 177.2360 53 D 4.3444 8.8571 119.2289 57.8848 41.0171 178.3471 54 H 4.4715 8.0380 110.8665 56.9909 28.9219 175.5271 55 L 4.1328 7.9293 120.2514 54.8745 42.3573 176.0391 56 N 4.3771 7.7362 116.2968 54.2483 36.5020 174.4954 57 S 4.7850 7.7627 112.6747 57.6079 64.5350 175.6267 58 T 4.2963 8.1222 113.5350 61.1667 70.9734 175.3264 59 N 4.2989 8.7268 118.9627 56.8933 38.3953 177.0144 60 H 4.0413 8.2421 118.6303 59.3457 30.0874 177.0150 61 A 4.0084 8.1059 122.4839 55.1298 18.1664 179.7314 62 I 3.6979 7.6356 117.9856 64.5042 37.1932 178.8115 63 V 3.5496 7.9339 119.1635 66.0661 31.3491 177.7532 64 Q 3.9529 8.2349 119.5689 59.5219 28.9157 178.4183 65 T 3.9219 8.0754 116.7026 66.7294 68.1872 176.6451 66 L 3.8795 7.9561 120.8391 57.5770 41.6101 179.7343 67 V 3.6123 8.2300 118.7941 65.9441 31.2586 177.4926 68 N 4.5417 8.3398 116.2070 56.9933 38.7806 176.5775 69 S 4.1904 7.7773 115.5044 61.3580 62.9091 176.2781 70 V 4.0747 7.1067 118.4984 63.8609 31.8080 175.6851 71 N 4.6102 8.0258 117.9704 52.6182 40.6826 174.5410 72 S 4.5658 8.6467 120.1678 59.1672 63.5032 175.3715 73 K 4.0215 8.0950 121.3661 59.3682 31.9547 177.3947 74 I 4.0214 7.4294 120.1945 59.6466 37.2692 174.2616 75 P 4.4555 0.0000 0.0000 62.1689 31.8673 176.4389 76 K 4.0731 8.3449 118.7559 56.1231 32.5764 176.7151 77 A 4.2782 8.3972 123.1449 52.7565 19.2705 176.1521 78 C 4.8397 8.8825 118.7760 57.6193 35.0453 172.1736 79 C 5.1258 8.7426 125.1245 56.1937 42.9843 172.8161 80 V 4.7661 8.8827 119.0490 58.8038 36.4785 173.0641 81 P 4.9505 0.0000 0.0000 63.3072 31.2190 176.5995 82 T 4.5825 8.9369 113.8726 61.5639 70.5940 174.0008 83 E 4.7524 7.9338 123.5267 54.8770 33.0774 173.6624 84 L 5.5631 8.6490 125.3895 53.1114 46.2469 175.2083 85 S 4.9322 9.1936 114.7100 56.7031 66.8841 172.7066 86 A 5.3027 8.5515 121.7664 50.7186 21.0226 176.3163 87 I 4.7333 8.4246 111.6096 59.1840 41.4201 174.7904 88 S 4.9417 8.6635 119.8102 58.7605 63.8298 173.5532 89 M 5.0858 9.3975 122.8235 53.5264 36.8030 173.7791 90 L 5.2229 9.1625 124.3915 53.4691 45.0666 174.8501 91 Y 5.0799 8.4585 123.0193 55.6287 42.2745 173.4319 92 L 5.1538 8.8032 120.7361 53.2053 43.4399 177.2613 93 D 4.9373 8.9510 124.7203 52.2913 41.1463 176.3872 94 E 3.9794 8.8378 118.8093 58.8954 29.5127 177.2882 95 N 4.8555 8.2655 114.1101 52.5960 38.9282 174.1045 96 E 3.8718 8.1662 115.2640 57.2842 27.8976 174.2907 97 K 4.5160 8.6033 118.1925 55.2101 33.9960 176.6859 98 V 4.2273 8.2396 117.6735 61.2412 32.6566 175.7047 99 V 4.1740 8.5479 124.5048 60.7997 34.4846 173.6632 100 L 5.0391 8.3301 129.3937 53.4461 43.6410 175.3213 101 K 4.5154 8.9387 126.6331 54.9620 36.1767 174.4500 102 N 5.1755 8.6584 124.7543 52.6130 39.5618 174.1254 103 Y 4.3402 9.2872 123.5262 57.1146 39.1668 175.7649 104 Q 4.4596 8.8118 123.4475 55.7494 30.1740 175.1174 105 D 4.4832 8.4950 117.7788 56.1849 38.1945 174.7151 106 M 4.5525 8.3822 119.0013 55.9737 33.9717 177.7137 107 V 4.7910 7.6870 118.5671 60.6349 34.7498 174.8306 108 V 3.9718 8.8812 128.7790 63.6337 31.0977 175.2193 109 E 4.3571 9.3708 128.7413 57.6743 30.8704 176.9005 110 G 4.2631 7.8334 104.5986 44.9705 0.0000 172.6265 111 C 5.5966 8.6625 119.0129 55.3851 43.1648 173.0404 112 G 4.0990 8.9782 107.6673 46.0933 0.0000 170.6604 113 C 5.4876 8.9139 117.1896 55.2586 43.4614 175.0359 114 R 4.3060 9.0080 122.0849 56.4102 30.9161 175.1425 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 12 S 8.19 4.50 0.00 3.96 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 13 S 8.69 4.62 0.00 3.89 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 14 C 8.45 4.28 0.00 3.05 3.05 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 15 K 8.74 4.52 0.00 1.76 1.82 0.00 1.25 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.23 1.06 7.81 16 R 8.31 4.60 0.00 1.71 1.68 0.00 2.75 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 17 H 9.00 5.04 0.00 1.72 2.73 0.00 5.87 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.81 0.00 2.11 2.13 0.00 3.82 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 2.04 2.00 0.00 19 L 7.95 4.15 0.00 2.03 1.65 0.84 0.79 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 20 Y 8.54 4.39 0.00 2.74 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 21 V 7.69 3.67 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 0.77 0.00 0.00 0.49 0.00 0.00 22 D 8.02 4.58 0.00 2.94 2.62 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 23 F 8.66 4.73 0.00 3.35 3.19 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 24 S 8.51 4.19 0.00 4.15 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 25 D 7.71 4.39 0.00 2.80 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 26 V 7.59 3.95 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 0.49 0.00 0.00 0.40 0.00 0.00 27 G 7.84 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 28 W 8.86 5.32 0.00 3.59 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 29 N 8.48 4.49 0.00 2.86 2.93 0.00 0.00 6.88 8.49 0.00 0.00 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 D 8.31 4.41 0.00 2.93 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 31 W 8.09 4.69 0.00 3.28 3.27 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 32 I 7.59 4.28 1.44 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.36 0.67 0.00 0.00 33 V 8.33 3.83 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 0.61 0.00 0.00 0.92 0.00 0.00 34 A 7.31 4.54 1.24 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 0.00 0.00 35 P 0.00 4.94 0.00 2.50 2.30 0.00 3.86 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 36 P 0.00 4.51 0.00 2.33 2.44 0.00 3.89 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 2.17 2.03 0.00 37 G 6.67 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 0.00 0.00 0.00 38 Y 6.26 4.68 0.00 3.04 2.86 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 39 H 8.80 4.38 0.00 2.92 2.28 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.35 4.18 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 41 F 7.86 4.15 0.00 3.24 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 42 Y 8.29 5.07 0.00 3.12 3.03 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 43 C 8.72 5.43 0.00 2.96 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 44 H 8.84 4.74 0.00 3.45 3.09 0.00 5.58 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 45 G 8.70 4.55 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 46 E 8.77 3.99 0.00 2.02 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 2.32 2.30 0.00 47 C 8.47 4.87 0.00 3.10 3.03 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 48 P 0.00 4.67 0.00 2.19 2.25 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 49 F 8.46 4.45 0.00 3.03 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 50 P 0.00 3.58 0.00 1.77 0.90 0.00 3.57 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 51 L 7.90 4.19 0.00 1.60 1.60 0.93 0.87 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 52 A 8.15 4.18 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 53 D 8.86 4.34 0.00 2.66 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 54 H 8.04 4.47 0.00 3.26 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.93 4.13 0.00 1.77 1.68 0.87 0.45 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 56 N 7.74 4.38 0.00 2.80 2.83 0.00 0.00 6.98 7.61 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 57 S 7.76 4.79 0.00 3.85 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 58 T 8.12 4.30 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 59 N 8.73 4.30 0.00 2.77 2.95 0.00 0.00 6.44 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 60 H 8.24 4.04 0.00 3.21 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.11 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 62 I 7.64 3.70 2.04 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 1.43 0.86 0.97 0.00 0.00 63 V 7.93 3.55 2.13 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 0.98 0.00 0.00 0.98 0.00 0.00 64 Q 8.23 3.95 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 65 T 8.08 3.92 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 L 7.96 3.88 0.00 1.87 1.62 0.98 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.23 3.61 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 0.98 0.00 0.00 0.98 0.00 0.00 68 N 8.34 4.54 0.00 2.82 3.06 0.00 0.00 7.29 7.23 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 69 S 7.78 4.19 0.00 4.01 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 70 V 7.11 4.07 2.16 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 0.77 0.00 0.00 0.89 0.00 0.00 71 N 8.03 4.61 0.00 2.71 2.61 0.00 0.00 6.89 6.76 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 72 S 8.65 4.57 0.00 4.02 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 73 K 8.10 4.02 0.00 1.86 1.92 0.00 1.69 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 1.48 1.54 7.81 74 I 7.43 4.02 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 1.35 0.73 0.91 0.00 0.00 75 P 0.00 4.46 0.00 2.19 2.06 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 76 K 8.34 4.07 0.00 1.78 1.81 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.56 1.45 7.81 77 A 8.40 4.28 1.28 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 0.00 0.00 0.00 78 C 8.88 4.84 0.00 2.99 2.76 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 0.00 0.00 0.00 0.00 79 C 8.74 5.13 0.00 3.16 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 80 V 8.88 4.77 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 0.74 0.00 0.00 0.96 0.00 0.00 81 P 0.00 4.95 0.00 1.99 2.06 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 82 T 8.94 4.58 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 83 E 7.93 4.75 0.00 2.02 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 2.28 2.35 0.00 84 L 8.65 5.56 0.00 1.70 1.64 0.97 0.93 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 85 S 9.19 4.93 0.00 3.88 3.98 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 86 A 8.55 5.30 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 87 I 8.42 4.73 1.79 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.84 0.86 0.00 0.00 88 S 8.66 4.94 0.00 3.80 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 89 M 9.40 5.09 0.00 1.80 2.13 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 90 L 9.16 5.22 0.00 1.65 1.44 0.86 0.76 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 Y 8.46 5.08 0.00 2.30 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 92 L 8.80 5.15 0.00 1.71 1.73 1.03 0.97 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 93 D 8.95 4.94 0.00 2.96 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 94 E 8.84 3.98 0.00 1.96 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 2.29 2.32 0.00 95 N 8.27 4.86 0.00 2.73 2.78 0.00 0.00 6.97 7.66 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 96 E 8.17 3.87 0.00 2.13 2.04 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 2.29 2.28 0.00 97 K 8.60 4.52 0.00 1.98 1.66 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.40 7.81 98 V 8.24 4.23 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 0.60 0.00 0.00 0.84 0.00 0.00 99 V 8.55 4.17 0.67 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 0.69 0.00 0.00 0.69 0.00 0.00 100 L 8.33 5.04 0.00 1.59 1.46 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.94 4.52 0.00 1.78 1.45 0.00 1.48 0.00 0.00 0.83 0.00 0.00 2.26 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.61 1.14 7.81 102 N 8.66 5.18 0.00 2.60 2.75 0.00 0.00 7.03 7.46 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 0.00 103 Y 9.29 4.34 0.00 2.84 2.86 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 0.00 104 Q 8.81 4.46 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 105 D 8.50 4.48 0.00 2.90 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 0.00 106 M 8.38 4.55 0.00 1.83 2.13 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.95 0.00 107 V 7.69 4.79 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 1.44 0.00 0.00 1.28 0.00 0.00 108 V 8.88 3.97 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 0.83 0.00 0.00 1.08 0.00 0.00 109 E 9.37 4.36 0.00 1.96 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 2.32 2.42 0.00 110 G 7.83 4.26 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 0.00 111 C 8.66 5.60 0.00 2.83 2.99 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 0.00 112 G 8.98 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 0.00 113 C 8.91 5.49 0.00 2.88 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 0.00 114 R 9.01 4.31 0.00 1.67 1.76 0.00 3.33 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00