NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4086 8.3044 120.3279 54.8767 33.4829 174.2400 2 E 3.8901 8.2873 120.0650 55.1363 30.2307 174.7945 3 A 4.0913 9.1880 129.0561 52.4122 19.8448 177.5885 4 L 4.0182 8.5153 123.0870 55.9636 41.9691 177.9994 5 G 3.8022 9.6784 104.9309 45.5210 0.0000 172.4477 6 A 4.6220 7.5377 117.0685 50.9441 22.3317 176.3490 7 D 4.7695 8.8809 120.8500 52.9638 42.6281 175.7610 8 V 4.5581 8.4219 123.9189 61.5187 33.3672 174.8896 9 T 4.5086 7.7167 124.3995 61.6837 69.4949 174.8836 10 Q 3.9862 8.8802 126.7070 56.4871 29.0312 176.7952 11 G 4.0337 8.6653 109.1232 46.2420 0.0000 173.0833 12 L 5.0166 8.2854 120.8506 53.0560 45.3288 175.1366 13 E 5.1253 8.6592 119.2724 53.9793 34.5808 175.1901 14 K 4.0731 8.2113 122.4194 58.0756 32.3457 177.1069 15 G 4.0103 8.8799 115.4318 44.8791 0.0000 173.6898 16 S 4.2665 7.9948 117.1354 58.5157 64.1030 173.3796 17 L 4.9116 8.4824 124.6509 53.7034 42.4070 175.7168 18 I 4.6356 8.8736 117.5106 59.1466 41.5999 174.4520 19 T 4.5547 8.5110 118.4868 62.8826 70.3069 174.4547 20 C 4.7852 8.3455 125.8355 57.1805 31.2768 174.2458 21 A 4.5343 8.5526 135.0000 50.4255 16.2482 174.5442 22 D 4.9056 7.7293 119.9035 53.2409 42.9623 176.3845 23 N 5.0187 8.4373 113.8935 53.1070 37.3715 176.6891 24 T 3.8790 7.8639 112.7143 64.2418 69.0728 174.9936 25 G 3.9435 8.3135 108.1667 45.1093 0.0000 172.7918 26 A 4.6170 7.4652 123.3541 51.4525 20.1407 176.6570 27 R 4.4201 8.9767 122.1377 57.4187 32.2811 175.9711 28 E 5.0654 8.0309 119.2214 54.2654 32.5741 174.3137 29 L 5.1375 8.9487 126.6500 52.8674 45.2744 175.2537 30 K 5.0011 8.7787 122.9349 54.3410 35.0516 175.5422 31 V 4.0133 8.5535 128.3904 63.5872 32.0887 175.6497 32 I 4.2624 8.7441 127.5633 62.7595 39.5120 175.5193 33 S 4.7215 7.7263 115.0802 57.3049 67.8091 172.8432 34 V 4.6829 8.1147 119.5728 61.0855 34.3630 174.3262 35 H 4.2136 9.2870 128.4631 57.4638 30.1967 174.8405 36 G 3.9752 8.5316 113.1865 46.5042 0.0000 172.1655 37 Y 4.5436 7.4237 118.1481 55.6712 40.3560 175.7158 38 S 4.2013 7.0258 120.4963 57.1628 64.8260 173.9729 39 G 4.1449 7.9021 127.0700 45.1544 0.0000 172.9375 40 T 4.5281 8.1871 118.6730 59.8183 70.4501 172.8316 41 K 3.7249 8.5171 125.4185 58.3344 32.3462 177.6559 42 N 4.5735 8.9895 121.8160 53.7113 37.4510 174.5535 43 R 4.0493 7.5166 118.5032 55.9543 30.5002 175.5933 44 H 4.4609 8.7163 123.5343 54.6628 29.5071 173.1398 45 P 4.4614 0.0000 0.0000 63.2126 31.8950 175.3306 46 K 4.7492 8.0605 124.0380 55.6995 34.1510 175.8813 47 A 4.6629 8.8549 124.2151 50.7001 23.1031 175.4203 48 G 4.1050 8.6413 105.5161 45.1465 0.0000 171.7063 49 L 4.3526 8.6983 122.7417 57.0194 42.0456 177.8631 50 G 4.1547 9.0041 115.2967 45.1066 0.0000 172.9707 51 D 4.6938 8.0400 120.3876 53.8006 42.5821 175.7069 52 K 4.3905 8.7874 124.3711 55.4257 33.2598 175.5812 53 I 4.8079 8.2819 121.7867 59.8552 40.8346 174.3287 54 T 4.8550 8.6541 119.3994 62.0042 70.7682 174.4308 55 V 5.1304 9.2388 118.7549 59.5622 36.6329 174.4366 56 S 5.2009 8.7386 116.5852 56.5252 66.2981 173.4320 57 V 4.2030 8.1736 122.8379 63.1507 31.6278 176.5558 58 T 4.0413 8.8567 125.8599 65.9839 68.9133 175.4960 59 K 4.5672 9.0610 119.3847 54.5810 36.0810 177.1461 60 G 4.0505 8.4675 108.3055 44.6694 0.0000 172.8546 61 T 4.0105 8.1502 111.4052 60.8646 69.2710 173.4697 62 P 4.2102 0.0000 0.0000 66.1139 31.2800 178.3822 63 E 4.1463 8.0065 116.0575 59.4345 29.6880 178.4634 64 M 4.1906 7.5623 116.3734 56.5630 32.5451 177.2362 65 R 3.9110 7.5678 119.5567 57.4863 30.7284 177.6922 66 R 4.1386 8.3289 120.6303 56.5445 29.3644 176.8381 67 Q 4.1092 7.4761 116.7250 55.8948 30.0683 175.7982 68 V 4.3946 8.3746 123.6077 61.6194 31.4484 174.4763 69 L 4.8452 8.7229 126.9204 52.6418 45.5902 175.0768 70 E 5.0073 8.4811 118.6056 55.5037 32.0816 175.1621 71 A 4.9620 8.7124 123.0223 50.8291 23.9580 174.9283 72 V 4.4402 8.1548 118.1477 60.9500 34.7999 174.8637 73 V 4.0856 8.2822 128.0703 62.9860 31.2839 176.6204 74 V 3.6178 8.8001 129.2939 65.3816 32.3006 175.8944 75 R 3.9992 7.4793 118.0700 54.1591 34.1531 174.1953 76 Q 4.9041 7.7138 116.9945 55.3768 31.3457 175.7663 77 R 4.2154 9.0221 120.8862 59.0388 30.4896 177.6103 78 K 4.2500 7.8804 118.8800 55.3019 33.3161 175.3001 79 P 4.8000 0.0000 0.0000 63.0968 32.8177 174.9995 80 I 4.7803 8.4138 115.5058 59.1313 40.9491 174.3679 81 R 4.8392 9.0303 126.1261 54.9372 31.1871 176.1553 82 R 4.5062 8.5745 126.2009 54.9302 31.0128 175.9606 83 P 4.1948 0.0000 0.0000 65.9950 31.3222 177.1876 84 D 4.5764 8.0581 114.5367 53.3071 39.3539 177.1804 85 G 4.0230 8.3072 109.5496 45.9828 0.0000 174.5742 86 T 4.0713 7.7068 116.8706 63.7664 69.5122 173.8201 87 R 4.9120 8.4763 124.4241 55.2049 32.3798 176.0114 88 V 4.4098 8.5769 121.7057 60.9660 34.4471 174.3920 89 K 4.9567 8.5346 126.1490 55.1838 35.6187 175.1823 90 F 4.7034 8.4600 119.7583 55.7113 41.3601 175.7710 91 E 4.0952 9.0615 120.4953 58.7972 29.5658 175.2740 92 D 4.9936 7.7651 115.0940 51.8702 43.5841 174.1013 93 N 5.0823 8.6301 115.0040 51.7584 40.4018 174.4090 94 A 5.2621 8.9826 125.0426 50.2428 23.2183 174.4073 95 A 5.0349 9.1526 120.6392 50.2125 23.6118 175.2137 96 V 4.5348 8.2031 118.9778 60.6905 34.5672 175.2018 97 I 4.2250 8.5517 129.0390 61.6496 37.9900 175.3264 98 V 4.8278 8.6022 125.9689 61.3288 34.6933 175.3401 99 D 4.9183 8.1252 125.0384 52.4457 41.1464 175.9316 100 E 4.0335 8.8100 117.6275 59.5958 29.8766 178.1040 101 N 4.7431 8.2959 114.1572 52.8107 38.4305 174.7383 102 E 3.8209 8.1871 115.2927 57.4837 27.1742 173.6196 103 D 5.2120 8.1889 117.2892 50.6768 43.0162 174.3548 104 P 4.7593 0.0000 0.0000 62.8179 31.8525 176.6175 105 R 3.9421 8.4755 122.4099 58.9265 30.3936 176.7132 106 G 4.0755 7.6478 105.5942 44.8588 0.0000 171.6425 107 T 4.3726 8.7627 114.0518 64.4735 70.3594 174.5804 108 E 4.7177 8.1744 120.1651 54.4229 32.3203 174.9397 109 L 4.8815 8.4176 124.1895 53.2693 43.0280 176.2817 110 K 4.1253 8.2466 124.5906 56.7770 32.9436 178.4368 111 G 3.9300 8.8733 112.9043 43.8756 0.0000 170.7976 112 P 4.8564 0.0000 0.0000 62.7806 32.5298 175.5421 113 I 4.7733 8.4042 119.2204 59.4690 42.0701 174.5182 114 A 5.2091 7.9336 122.9214 50.9651 19.8138 179.2059 115 R 4.0373 8.6506 117.5139 58.7545 30.1292 179.0095 116 E 4.1357 8.1852 118.3697 58.9451 29.9840 179.0039 117 V 3.8177 7.8695 117.7194 65.4805 31.2184 177.8405 118 A 4.0248 7.4751 118.8682 55.2656 18.2375 179.3006 119 Q 4.0406 7.5124 114.9052 58.7687 28.8140 178.7770 120 R 3.9734 7.6058 117.6473 57.4189 30.8069 177.0980 121 F 4.7773 7.7475 122.0426 54.9766 39.4668 176.2542 122 G 3.6937 8.5529 113.0621 47.5855 0.0000 172.5313 123 S 4.5672 8.0081 116.1904 59.1840 62.8010 175.9423 124 V 3.7723 7.7368 121.8868 65.2947 31.6042 177.4973 125 A 4.0966 7.6454 119.9364 54.9863 18.1515 179.1188 126 S 4.4355 8.1695 109.9556 58.8886 62.8169 175.0329 127 A 4.6239 7.5400 122.2033 51.7698 20.3560 177.0243 128 A 4.2710 7.7893 119.1252 52.0852 19.1249 177.8966 129 T 4.1217 8.4266 118.9987 66.0842 69.4851 174.6652 130 M 4.8290 7.8083 119.9485 53.4629 35.3696 174.4166 131 I 4.7759 8.4016 122.9701 59.6581 40.2820 175.6161 132 V 4.0371 9.1070 127.1261 62.8735 31.5555 175.4395 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 8.30 4.41 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 2 E 8.29 3.89 0.00 1.93 1.73 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 2.24 2.33 0.00 3 A 9.19 4.09 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 4 L 8.52 4.02 0.00 1.66 1.76 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.68 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.54 4.62 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 7 D 8.88 4.77 0.00 2.63 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 8 V 8.42 4.56 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 1.01 0.00 0.00 9 T 7.72 4.51 4.40 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 1.22 0.00 0.00 10 Q 8.88 3.99 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 11 G 8.67 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 0.00 0.00 0.00 12 L 8.29 5.02 0.00 1.62 1.51 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.66 5.13 0.00 1.87 1.79 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 2.21 2.22 0.00 14 K 8.21 4.07 0.00 1.69 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 15 G 8.88 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 16 S 7.99 4.27 0.00 3.84 3.78 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 17 L 8.48 4.91 0.00 1.51 1.61 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.87 4.64 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.88 0.00 0.00 19 T 8.51 4.55 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 1.20 0.00 0.00 20 C 8.35 4.79 0.00 2.98 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 21 A 8.55 4.53 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 22 D 7.73 4.91 0.00 2.61 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 N 8.44 5.02 0.00 2.73 2.92 0.00 0.00 5.98 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 24 T 7.86 3.88 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 1.22 0.00 0.00 25 G 8.31 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 0.00 0.00 0.00 26 A 7.47 4.62 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 27 R 8.98 4.42 0.00 1.76 1.95 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 28 E 8.03 5.07 0.00 1.99 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 2.23 2.39 0.00 29 L 8.95 5.14 0.00 1.56 1.49 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.78 5.00 0.00 1.75 1.73 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.32 7.81 31 V 8.55 4.01 2.20 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 0.91 0.00 0.00 0.93 0.00 0.00 32 I 8.74 4.26 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.91 0.00 0.00 33 S 7.73 4.72 0.00 3.73 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 34 V 8.11 4.68 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 0.96 0.00 0.00 0.83 0.00 0.00 35 H 9.29 4.21 0.00 3.28 3.27 0.00 6.16 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 36 G 8.53 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 0.00 0.00 0.00 37 Y 7.42 4.54 0.00 2.97 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 38 S 7.03 4.20 0.00 3.68 3.49 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 0.00 0.00 0.00 0.00 39 G 7.90 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 0.00 0.00 0.00 40 T 8.19 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 1.23 0.00 0.00 41 K 8.52 3.72 0.00 1.83 1.70 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 42 N 8.99 4.57 0.00 2.95 3.02 0.00 0.00 7.02 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 43 R 7.52 4.05 0.00 1.80 2.10 0.00 3.35 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 44 H 8.72 4.46 0.00 3.34 3.20 0.00 5.77 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 P 0.00 4.46 0.00 2.08 2.42 0.00 3.73 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 46 K 8.06 4.75 0.00 1.67 1.76 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.18 1.17 7.81 47 A 8.85 4.66 1.12 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 0.00 0.00 48 G 8.64 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 49 L 8.70 4.35 0.00 1.76 1.65 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.00 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 0.00 0.00 0.00 51 D 8.04 4.69 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.39 0.00 1.91 1.73 0.00 1.60 0.00 0.00 1.90 0.00 0.00 2.56 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.31 7.81 53 I 8.28 4.81 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.42 0.87 0.00 0.00 54 T 8.65 4.85 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 55 V 9.24 5.13 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 0.75 0.00 0.00 0.97 0.00 0.00 56 S 8.74 5.20 0.00 3.84 3.91 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 57 V 8.17 4.20 2.18 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.86 4.04 4.37 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 1.23 0.00 0.00 59 K 9.06 4.57 0.00 1.65 1.65 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 60 G 8.47 4.05 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 0.00 0.00 0.00 61 T 8.15 4.01 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 1.24 0.00 0.00 62 P 0.00 4.21 0.00 2.03 2.18 0.00 3.67 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 2.03 2.20 0.00 63 E 8.01 4.15 0.00 1.93 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 2.31 2.33 0.00 64 M 7.56 4.19 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 65 R 7.57 3.91 0.00 2.03 1.79 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 66 R 8.33 4.14 0.00 2.03 2.09 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.48 4.11 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.37 4.39 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.72 4.85 0.00 1.59 1.50 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.48 5.01 0.00 1.87 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 0.00 2.31 2.28 0.00 71 A 8.71 4.96 1.11 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 72 V 8.15 4.44 1.73 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 0.58 0.00 0.00 -0.24 0.00 0.00 73 V 8.28 4.09 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 0.85 0.00 0.00 0.91 0.00 0.00 74 V 8.80 3.62 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 0.75 0.00 0.00 0.91 0.00 0.00 75 R 7.48 4.00 0.00 1.56 1.21 0.00 3.23 0.00 0.00 3.53 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.30 0.00 76 Q 7.71 4.90 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 77 R 9.02 4.22 0.00 1.98 2.07 0.00 3.18 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 78 K 7.88 4.25 0.00 1.77 1.74 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.80 0.00 2.12 1.97 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.41 4.78 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 1.00 0.00 0.00 81 R 9.03 4.84 0.00 1.87 1.87 0.00 3.09 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 82 R 8.57 4.51 0.00 2.09 1.83 0.00 3.21 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 83 P 0.00 4.19 0.00 2.04 2.14 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 84 D 8.06 4.58 0.00 2.78 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 85 G 8.31 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.07 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 1.19 0.00 0.00 87 R 8.48 4.91 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 88 V 8.58 4.41 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 0.63 0.00 0.00 0.88 0.00 0.00 89 K 8.53 4.96 0.00 1.93 1.72 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.36 7.81 90 F 8.46 4.70 0.00 3.06 3.06 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 91 E 9.06 4.10 0.00 1.98 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 2.32 2.26 0.00 92 D 7.77 4.99 0.00 2.66 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 93 N 8.63 5.08 0.00 2.63 2.74 0.00 0.00 6.44 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 94 A 8.98 5.26 1.10 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 95 A 9.15 5.03 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.20 4.53 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 0.98 0.00 0.00 0.92 0.00 0.00 97 I 8.55 4.22 1.83 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 1.07 0.85 0.91 0.00 0.00 98 V 8.60 4.83 1.91 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 0.69 0.00 0.00 0.81 0.00 0.00 99 D 8.13 4.92 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 4.03 0.00 1.95 2.02 0.00 0.00 0.00 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 2.33 0.00 101 N 8.30 4.74 0.00 2.91 2.82 0.00 0.00 7.08 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 0.00 102 E 8.19 3.82 0.00 2.23 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 0.00 2.29 2.38 0.00 103 D 8.19 5.21 0.00 2.68 2.55 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 0.00 104 P 0.00 4.76 0.00 2.15 2.03 0.00 3.77 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 1.98 2.05 0.00 105 R 8.48 3.94 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.65 4.08 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 0.00 0.00 0.00 107 T 8.76 4.37 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 0.00 108 E 8.17 4.72 0.00 1.89 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 0.00 2.29 2.30 0.00 109 L 8.42 4.88 0.00 1.52 1.59 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.25 4.13 0.00 1.62 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.39 7.81 111 G 8.87 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 0.00 112 P 0.00 4.86 0.00 2.26 2.15 0.00 3.76 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 2.13 2.11 0.00 113 I 8.40 4.77 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.92 0.00 0.00 114 A 7.93 5.21 1.48 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 0.00 0.00 115 R 8.65 4.04 0.00 2.00 2.25 0.00 2.79 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 116 E 8.19 4.14 0.00 2.15 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 2.43 2.54 0.00 117 V 7.87 3.82 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 1.28 0.00 0.00 0.99 0.00 0.00 118 A 7.48 4.02 1.37 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 0.00 0.00 119 Q 7.51 4.04 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 120 R 7.61 3.97 0.00 1.22 0.66 0.00 3.03 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.49 0.00 121 F 7.75 4.78 0.00 3.14 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 0.00 122 G 8.55 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.01 4.57 0.00 4.08 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 0.00 124 V 7.74 3.77 2.33 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 1.04 0.00 0.00 0.93 0.00 0.00 125 A 7.65 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.44 0.00 4.08 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 0.00 127 A 7.54 4.62 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 0.00 128 A 7.79 4.27 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 0.00 129 T 8.43 4.12 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 1.22 0.00 0.00 130 M 7.81 4.83 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 131 I 8.40 4.78 1.90 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 0.64 0.95 0.00 0.00 132 V 9.11 4.04 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 0.88 0.00 0.00 1.00 0.00 0.00