NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3014 8.3049 118.1946 55.9723 32.9908 174.4404 2 T 3.1544 8.4113 114.1546 64.1861 64.9765 168.8774 3 M 4.4862 8.0645 123.3081 56.8269 35.6272 176.6375 4 S 3.8232 8.1606 111.5451 59.9492 60.2158 172.8197 5 R 4.4631 7.8895 116.1398 56.8788 32.6087 175.7978 6 R 4.6972 7.6535 115.0271 54.2898 34.0064 174.3850 7 N 5.0355 8.1631 117.3121 51.6801 41.2823 175.7921 8 T 3.8738 8.3922 113.6684 64.8668 69.0007 175.8468 9 D 4.3303 8.1988 119.4885 55.6490 41.5649 176.9643 10 A 4.3275 7.7964 122.1405 54.2066 19.6277 179.1767 11 I 3.6558 8.0074 116.3408 64.3462 38.1099 177.7139 12 T 3.9770 7.4947 113.1224 63.7898 67.4880 174.5010 13 I 4.4479 7.1658 120.5528 62.0220 38.8573 175.7519 14 H 4.8096 8.2633 120.1021 56.4130 29.4380 175.9887 15 S 5.0776 8.2301 109.6013 57.2410 65.2277 175.4272 16 I 4.4564 7.9475 123.4091 62.5933 38.8122 177.5455 17 L 4.2387 8.0165 119.5195 58.0601 41.4598 179.2026 18 D 4.4825 8.2166 118.5077 56.0624 39.1248 178.2054 19 W 4.0048 8.1481 128.6105 60.3039 31.0537 177.5715 20 I 4.0558 8.4044 119.8465 64.6855 36.4419 178.1243 21 E 3.9976 8.1562 117.8690 59.3316 29.3902 178.1187 22 D 4.6852 7.5787 114.3945 54.1686 41.2819 175.7401 23 N 4.6893 7.9438 114.3881 53.3011 39.9926 174.3465 24 L 4.6994 7.6739 114.4499 55.2856 41.4828 177.1264 25 E 3.5620 7.8986 119.0003 58.7770 29.7863 177.0123 26 S 5.0475 7.4108 110.7457 58.4959 65.2661 172.8552 27 P 4.4894 0.0000 0.0000 61.9767 32.0671 176.9336 28 L 3.9116 8.4377 119.1011 57.6972 42.2579 177.9993 29 S 3.8500 7.8525 111.2457 59.3301 60.1326 171.3034 30 L 4.5544 7.0182 121.7162 54.6578 44.5368 176.2427 31 E 3.7715 8.5483 116.7188 60.0750 29.0781 179.2350 32 K 3.7787 7.7525 117.9128 59.1722 32.6509 178.4694 33 V 3.8139 7.4752 118.1515 65.4410 31.6355 177.2154 34 S 3.3988 8.1102 113.3369 58.8504 62.2788 175.6308 35 E 4.3332 7.7808 123.8113 58.3946 29.4897 178.2214 36 R 4.1918 7.2050 111.9111 56.9322 29.9178 176.8564 37 S 4.5277 7.1921 114.1207 57.6718 65.0712 173.0041 38 G 3.5484 7.4314 116.3526 45.7281 0.0000 175.4718 39 Y 4.7878 8.3522 124.4749 55.2167 42.8381 174.1404 40 S 4.3970 8.7971 115.9996 58.7564 64.5898 175.1741 41 K 3.7621 8.7390 126.3459 60.5633 31.7103 179.3608 42 W 4.6273 7.6697 121.4735 58.1839 28.9554 177.6211 43 H 4.5644 8.1476 117.6042 58.4874 29.7635 176.7492 44 L 4.1144 8.7834 122.7685 58.1617 41.5780 178.8770 45 Q 4.0298 8.5607 118.5417 58.9963 28.6754 178.8862 46 R 4.0025 7.5890 119.8481 59.7981 30.0405 178.5319 47 M 4.1156 8.2185 118.5255 58.2892 31.8762 178.5750 48 F 3.9962 8.9414 121.2061 61.1999 39.1845 177.1612 49 K 4.3870 8.8620 121.2576 58.5064 31.8172 177.9849 50 K 4.2833 7.8672 116.2814 57.4864 32.9255 176.6942 51 E 4.3663 7.1638 118.1252 58.4022 31.0161 177.3870 52 T 3.4780 7.5608 110.0154 64.1108 68.7895 176.0153 53 G 3.9179 7.3667 107.8365 45.0881 0.0000 173.0041 54 H 4.9997 7.5765 116.1135 53.7760 31.6714 173.8143 55 S 4.6715 8.5599 116.6786 58.2971 64.7291 174.9870 56 L 3.7292 8.6303 126.1325 58.1877 41.7394 179.4895 57 G 3.6963 8.2740 105.1245 47.8960 0.0000 175.0515 58 Q 4.0181 8.0539 121.1463 59.2255 29.1104 177.3242 59 Y 4.1915 8.3061 120.7776 60.7424 38.8623 177.8623 60 I 3.5443 7.9355 120.7494 64.6261 37.1883 178.5886 61 R 3.8209 7.5897 118.4063 59.2687 29.8033 179.2700 62 S 3.7923 8.0441 114.8815 61.6970 62.8881 177.1491 63 R 3.7567 7.9328 120.9511 59.0638 29.6793 179.2787 64 K 3.9464 7.9359 118.3064 59.4711 31.9333 179.2285 65 M 3.8172 7.8373 119.2147 58.7471 31.8243 178.8136 66 T 3.2504 7.3065 112.6738 64.8033 67.2576 176.0603 67 E 3.9272 8.0215 120.6673 59.4581 29.2777 179.4163 68 I 3.5111 7.4166 118.6120 64.0304 37.4778 177.9001 69 A 4.1394 8.0392 121.7994 55.3659 18.0900 179.7436 70 Q 4.1354 8.0747 116.4179 59.0518 27.3051 178.6971 71 K 4.4570 7.8302 119.1048 57.4149 32.0267 178.5782 72 L 4.4428 7.8327 119.1984 55.6664 41.7592 178.3187 73 K 4.2708 7.7510 116.6758 58.4699 33.1603 178.2646 74 E 4.1411 8.6153 117.4289 58.6032 29.8719 177.8020 75 S 4.6537 7.1713 113.5878 57.6081 64.5025 173.8346 76 N 4.9965 8.2861 116.5004 53.2412 39.1741 173.7695 77 E 3.9951 8.2543 116.4770 55.0298 30.1195 175.6871 78 P 4.3189 0.0000 0.0000 63.4635 32.8102 177.3139 79 I 3.6187 8.3234 121.1973 64.5756 37.1644 178.4383 80 L 3.9258 7.8890 120.6354 58.1575 41.9458 178.3092 81 Y 4.0439 7.8724 118.9424 60.7843 38.8553 177.5252 82 L 4.0606 8.5102 120.1533 57.8442 41.7244 179.3262 83 A 4.0001 8.2717 120.8285 55.3350 18.2002 179.2666 84 E 4.2531 8.2606 118.7314 58.7615 29.6118 179.1637 85 R 3.6664 8.3215 119.1003 59.4128 29.9604 177.4946 86 Y 4.2466 8.1914 113.7714 58.3418 38.1431 176.2743 87 G 3.9892 7.5615 108.4844 45.0681 0.0000 173.8248 88 F 4.3715 8.9317 119.6865 56.5641 39.7105 176.8612 89 E 4.1177 8.9015 124.6653 59.2748 29.7283 177.6309 90 S 4.6726 7.6377 111.3725 55.9891 67.0003 174.8552 91 Q 3.8894 8.6124 123.1498 59.4399 28.7983 178.2770 92 Q 3.9956 8.1053 118.6118 59.2905 28.6946 179.0193 93 T 3.8799 7.3707 116.2499 66.6230 68.5750 176.4109 94 L 3.1687 7.4745 121.8379 58.2584 41.9819 179.0887 95 T 3.8923 8.1352 116.0454 66.4590 68.3278 176.6572 96 R 3.9127 7.9403 120.6025 59.7511 30.0757 178.6814 97 T 3.9230 8.0563 115.5976 66.6445 68.4885 176.4077 98 F 3.9672 8.6721 122.9319 61.2765 39.4681 177.1350 99 K 4.3268 8.4810 119.2404 59.1075 31.7499 177.4953 100 N 4.7853 8.0585 114.3752 53.2633 38.6131 173.8925 101 Y 4.1725 7.2394 118.9146 58.9277 40.3006 176.6494 102 F 4.4346 8.5050 117.2613 57.3756 39.5625 177.5210 103 D 5.4453 8.3221 117.5699 54.5297 38.6213 173.5487 104 V 4.5823 7.4592 118.3774 59.8474 33.9524 174.0326 105 P 4.4781 0.0000 0.0000 62.2599 32.8078 175.3797 106 P 3.3119 0.0000 0.0000 66.0669 30.9475 178.4905 107 H 4.1621 8.0360 116.1949 59.0025 29.7789 177.0891 108 K 3.8359 7.9333 121.1923 59.4732 31.9464 178.0121 109 Y 4.4408 8.3722 120.8471 60.0927 38.7108 177.3255 110 R 4.2909 7.6138 118.8686 58.2966 30.3384 176.8684 111 M 4.2171 7.1865 115.4224 55.6421 32.5956 176.1433 112 T 4.0477 7.8267 110.5120 61.1796 68.5580 175.0785 113 N 4.1594 8.5165 124.8454 55.4037 39.1105 176.5657 114 M 4.1168 7.7995 116.7107 57.6242 32.7023 176.3244 115 Q 4.1756 7.2136 118.1201 55.5429 30.2010 175.0904 116 G 3.9185 7.8558 113.1685 45.2890 0.0000 175.6025 117 E 2.7842 8.3818 118.3835 54.0165 27.8814 174.0997 118 S 4.6653 7.0682 115.7875 57.3019 65.7128 174.3405 119 R 3.8833 8.8699 123.2149 57.3469 26.9597 176.6368 120 F 4.7316 8.4437 117.9067 56.0029 38.1929 175.1091 121 L 4.1877 8.3346 127.9180 54.9299 42.7782 176.3389 122 H 5.0483 8.1817 122.6187 54.0281 30.3587 174.1759 123 P 5.1866 0.0000 0.0000 62.6470 30.8119 177.5292 124 L 4.4090 8.5729 120.0587 56.8839 43.8853 176.0400 125 N 4.2594 8.2426 113.1702 54.3358 36.9148 172.5464 126 H 4.9115 7.6920 110.7475 56.6718 36.2827 174.2437 127 Y 4.6088 7.5340 116.3199 56.0791 37.8537 175.4048 128 N 4.6514 9.2767 120.6879 54.2351 39.6865 174.1098 129 S 4.3090 8.4386 118.7653 58.9695 64.3175 173.7095 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 4.30 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 T 8.41 3.15 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 3 M 8.06 4.49 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 4 S 8.16 3.82 0.00 4.06 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 5 R 7.89 4.46 0.00 1.73 1.85 0.00 3.31 0.00 0.00 3.22 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 6 R 7.65 4.70 0.00 1.70 1.76 0.00 3.19 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 7 N 8.16 5.04 0.00 2.76 2.62 0.00 0.00 6.63 7.21 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 8 T 8.39 3.87 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 9 D 8.20 4.33 0.00 2.67 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 10 A 7.80 4.33 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 11 I 8.01 3.66 1.87 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 1.20 1.22 1.00 0.00 0.00 12 T 7.49 3.98 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 1.32 0.00 0.00 13 I 7.17 4.45 1.86 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 1.36 1.02 0.86 0.00 0.00 14 H 8.26 4.81 0.00 3.29 3.31 0.00 5.93 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.23 5.08 0.00 3.88 3.82 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 16 I 7.95 4.46 2.25 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.13 0.92 0.00 0.00 17 L 8.02 4.24 0.00 1.71 1.84 0.70 0.95 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 18 D 8.22 4.48 0.00 2.93 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 19 W 8.15 4.00 0.00 3.46 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 20 I 8.40 4.06 2.35 0.00 0.00 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 2.12 1.08 1.02 0.00 0.00 21 E 8.16 4.00 0.00 2.14 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 2.79 2.60 0.00 22 D 7.58 4.69 0.00 2.73 2.45 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 23 N 7.94 4.69 0.00 1.97 2.10 0.00 0.00 6.61 7.41 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 24 L 7.67 4.70 0.00 1.75 1.73 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.90 3.56 0.00 1.77 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 2.21 2.17 0.00 26 S 7.41 5.05 0.00 3.64 3.67 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 27 P 0.00 4.49 0.00 2.03 1.92 0.00 3.57 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 28 L 8.44 3.91 0.00 1.55 1.64 0.87 0.77 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 29 S 7.85 3.85 0.00 4.05 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 0.00 30 L 7.02 4.55 0.00 1.79 1.78 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.55 3.77 0.00 1.91 1.87 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 2.27 2.26 0.00 32 K 7.75 3.78 0.00 1.61 1.74 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.29 7.81 33 V 7.48 3.81 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 1.28 0.00 0.00 0.97 0.00 0.00 34 S 8.11 3.40 0.00 3.56 3.34 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 35 E 7.78 4.33 0.00 2.00 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 2.26 2.20 0.00 36 R 7.20 4.19 0.00 2.03 1.95 0.00 3.10 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.45 0.00 37 S 7.19 4.53 0.00 2.91 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 38 G 7.43 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 39 Y 8.35 4.79 0.00 2.93 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 40 S 8.80 4.40 0.00 4.02 3.88 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 0.00 0.00 0.00 0.00 41 K 8.74 3.76 0.00 1.51 1.79 0.00 0.61 0.00 0.00 0.75 0.00 0.00 2.55 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.84 0.21 7.81 42 W 7.67 4.63 0.00 3.54 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 43 H 8.15 4.56 0.00 3.29 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.78 4.11 0.00 2.03 1.62 0.99 0.73 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 45 Q 8.56 4.03 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.52 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 46 R 7.59 4.00 0.00 2.01 2.14 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 47 M 8.22 4.12 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.61 0.00 48 F 8.94 4.00 0.00 3.21 3.18 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 49 K 8.86 4.39 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.35 7.81 50 K 7.87 4.28 0.00 1.95 1.95 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.42 7.81 51 E 7.16 4.37 0.00 2.20 1.72 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 2.25 2.38 0.00 52 T 7.56 3.48 3.82 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 0.15 0.00 0.00 53 G 7.37 3.92 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 0.00 0.00 0.00 54 H 7.58 5.00 0.00 3.42 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.56 4.67 0.00 3.97 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 56 L 8.63 3.73 0.00 1.49 1.60 0.53 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.27 3.70 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 0.00 0.00 0.00 58 Q 8.05 4.02 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 59 Y 8.31 4.19 0.00 3.32 3.30 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 60 I 7.94 3.54 1.92 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 1.74 0.85 0.88 0.00 0.00 61 R 7.59 3.82 0.00 1.93 1.90 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 62 S 8.04 3.79 0.00 3.97 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 63 R 7.93 3.76 0.00 1.41 1.74 0.00 3.49 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.00 64 K 7.94 3.95 0.00 1.92 1.82 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.26 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.61 7.81 65 M 7.84 3.82 0.00 0.82 1.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.34 0.00 66 T 7.31 3.25 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 1.30 0.00 0.00 67 E 8.02 3.93 0.00 2.19 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 2.48 2.58 0.00 68 I 7.42 3.51 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.36 0.67 0.00 0.00 69 A 8.04 4.14 0.75 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 0.00 0.00 70 Q 8.07 4.14 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 71 K 7.83 4.46 0.00 1.94 1.93 0.00 1.95 0.00 0.00 1.94 0.00 0.00 3.28 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.59 7.81 72 L 7.83 4.44 0.00 1.94 1.69 0.37 0.51 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 73 K 7.75 4.27 0.00 1.83 1.90 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.94 7.81 74 E 8.62 4.14 0.00 2.12 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 2.40 2.43 0.00 75 S 7.17 4.65 0.00 4.14 3.82 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 76 N 8.29 5.00 0.00 2.61 2.72 0.00 0.00 6.96 7.64 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 77 E 8.25 4.00 0.00 2.10 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 2.28 2.34 0.00 78 P 0.00 4.32 0.00 2.32 2.21 0.00 3.57 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 79 I 8.32 3.62 1.81 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 1.41 0.66 0.74 0.00 0.00 80 L 7.89 3.93 0.00 1.88 1.70 0.97 0.87 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 81 Y 7.87 4.04 0.00 3.11 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 82 L 8.51 4.06 0.00 1.85 1.73 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.27 4.00 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 84 E 8.26 4.25 0.00 2.17 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 2.29 2.18 0.00 85 R 8.32 3.67 0.00 1.05 1.80 0.00 3.00 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 86 Y 8.19 4.25 0.00 3.35 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 87 G 7.56 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 0.00 0.00 0.00 88 F 8.93 4.37 0.00 3.16 3.11 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 89 E 8.90 4.12 0.00 2.01 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 2.32 2.25 0.00 90 S 7.64 4.67 0.00 4.18 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 91 Q 8.61 3.89 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 92 Q 8.11 4.00 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 93 T 7.37 3.88 4.58 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 1.46 0.00 0.00 94 L 7.47 3.17 0.00 0.75 1.47 0.29 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.14 3.89 4.36 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 1.21 0.00 0.00 96 R 7.94 3.91 0.00 1.92 2.17 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 97 T 8.06 3.92 4.28 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 1.31 0.00 0.00 98 F 8.67 3.97 0.00 3.20 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 99 K 8.48 4.33 0.00 2.14 2.03 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.59 7.81 100 N 8.06 4.79 0.00 2.95 2.85 0.00 0.00 6.74 6.95 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 0.00 101 Y 7.24 4.17 0.00 2.86 2.48 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 0.00 102 F 8.51 4.43 0.00 2.84 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 0.00 103 D 8.32 5.45 0.00 2.93 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 0.00 104 V 7.46 4.58 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 0.96 0.00 0.00 1.20 0.00 0.00 105 P 0.00 4.48 0.00 2.26 2.02 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 106 P 0.00 3.31 0.00 1.86 1.39 0.00 3.55 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 1.90 1.67 0.00 107 H 8.04 4.16 0.00 3.14 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.93 3.84 0.00 1.91 1.96 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 109 Y 8.37 4.44 0.00 3.24 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 0.00 110 R 7.61 4.29 0.00 1.85 2.07 0.00 3.26 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 111 M 7.19 4.22 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 112 T 7.83 4.05 4.06 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 1.21 0.00 0.00 113 N 8.52 4.16 0.00 2.69 2.87 0.00 0.00 7.16 7.63 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 0.00 114 M 7.80 4.12 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 115 Q 7.21 4.18 0.00 1.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.39 0.00 0.00 0.00 0.00 0.00 1.90 2.12 0.00 116 G 7.86 3.92 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 0.00 0.00 0.00 117 E 8.38 2.78 0.00 1.70 1.72 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 2.27 2.03 0.00 118 S 7.07 4.67 0.00 4.01 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 0.00 119 R 8.87 3.88 0.00 2.17 1.81 0.00 3.18 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.70 0.00 120 F 8.44 4.73 0.00 2.95 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 0.00 121 L 8.33 4.19 0.00 1.67 1.59 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.18 5.05 0.00 3.50 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 5.19 0.00 2.16 2.35 0.00 3.83 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 124 L 8.57 4.41 0.00 1.68 1.96 1.10 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.24 4.26 0.00 2.63 2.39 0.00 0.00 5.88 7.70 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 0.00 126 H 7.69 4.91 0.00 3.03 2.66 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.53 4.61 0.00 3.00 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 0.00 128 N 9.28 4.65 0.00 2.93 3.08 0.00 0.00 7.17 7.69 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 0.00 129 S 8.44 4.31 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