NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2060 8.3031 119.9774 56.3853 34.7495 175.9634 3 G 3.5168 7.4349 109.3489 43.9503 0.0000 172.2007 4 D 4.4416 8.6132 122.0274 53.4233 43.9626 175.6431 5 K 3.9009 8.5930 127.4300 59.7764 32.3691 179.2454 6 K 4.2781 8.0360 119.4652 58.3912 32.0095 179.3990 7 V 3.6342 8.0322 118.8551 66.1379 31.4150 177.8332 8 I 3.6846 7.8161 119.4657 64.6953 36.5593 178.2050 9 Q 3.9627 8.0702 118.4524 59.4386 28.5044 178.9550 10 H 4.1860 8.3314 116.9931 58.8903 28.7524 177.7538 11 L 4.0312 8.5088 121.1121 58.1283 41.4650 179.4868 12 N 4.4348 8.5269 116.5308 55.8385 38.3710 177.5244 13 K 3.9246 8.0097 121.3170 59.5325 32.3303 178.9736 14 I 3.6934 8.1238 120.5235 64.2668 36.9501 177.9696 15 L 4.0426 8.6433 121.6555 58.3243 41.7493 179.3013 16 G 3.6077 8.5732 105.7925 47.9216 0.0000 175.4358 17 N 4.3762 8.3244 118.8348 56.1042 38.4896 177.3432 18 E 3.9930 8.3703 120.0782 59.4192 29.1264 179.4019 19 L 3.9486 8.1850 119.1952 57.6941 41.6160 179.6660 20 I 3.6289 7.5609 119.2694 64.3433 37.1083 178.3152 21 A 3.3239 7.8291 121.4970 54.7968 18.0633 179.3873 22 I 3.6002 7.7261 118.4149 64.9108 37.1700 178.3800 23 N 4.3388 7.7260 116.2682 56.2677 38.4190 177.3415 24 Q 3.8186 8.2523 121.3118 59.5605 29.0950 178.0712 25 Y 4.8922 8.0933 119.3671 60.5227 37.8926 178.3166 26 F 3.8942 8.5528 121.9391 60.9466 39.5434 177.1093 27 L 3.9915 8.3625 120.3186 58.5885 41.8546 178.6373 28 H 3.8919 8.5914 116.5641 58.6805 28.4574 177.6684 29 S 4.3370 8.4232 115.3341 61.7284 62.1965 176.5748 30 R 3.8607 7.7845 120.2744 58.9306 29.7245 179.0303 31 M 3.4556 7.8150 118.8804 57.8524 31.9659 178.6140 32 W 4.5306 7.9467 119.3181 60.0206 29.2360 178.2844 33 N 4.3972 8.4803 116.5282 56.4768 37.7686 176.9290 34 D 4.3701 7.9947 118.3736 56.8619 41.3558 177.5515 35 W 4.8552 7.9966 116.9841 56.8475 29.4905 177.2475 36 G 4.0017 8.3389 108.3292 45.6012 0.0000 174.1757 37 L 4.7688 7.7643 121.8489 53.4747 40.2890 177.8112 38 K 4.1002 8.3798 120.9716 59.0861 32.4350 179.3021 39 R 3.8707 8.0180 119.5017 59.2200 29.9083 178.4835 40 L 3.7918 7.7510 118.5402 57.4277 41.4545 179.3832 41 G 3.7976 8.1761 105.4379 48.0712 0.0000 175.6269 42 A 4.0028 8.2565 123.9389 54.8076 18.3637 179.2749 43 H 4.0038 8.2790 116.9763 59.3878 29.6485 177.2193 44 E 3.9828 8.5838 121.4352 59.1710 29.3988 177.9882 45 Y 3.9626 8.2408 119.8976 61.1488 38.8159 178.0426 46 H 4.0238 8.1478 116.9533 58.7144 28.7437 177.6604 47 E 3.8085 8.1085 120.5512 59.2035 29.1333 179.3149 48 S 4.2702 8.0209 113.1156 61.6349 62.6399 176.0535 49 I 3.5737 7.6303 122.6262 64.6672 36.8759 178.1020 50 D 4.2609 8.0980 119.4780 57.3947 40.5931 178.7002 51 E 4.1676 8.3431 119.0563 59.6672 29.4566 179.1695 52 M 4.0278 8.2572 118.8829 58.4898 32.0151 179.0381 53 K 4.0081 7.9540 118.3197 59.7196 32.1565 179.1499 54 H 4.2867 8.0968 116.1483 58.8605 28.5735 177.7335 55 A 4.0064 8.2864 122.7449 54.9303 18.1317 179.2503 56 D 4.2392 8.0809 116.6459 57.5547 41.4092 178.6063 57 K 3.9811 8.0849 118.9799 59.4742 31.9992 179.3139 58 L 4.0449 8.1898 119.3307 57.8482 41.5490 179.6741 59 I 3.7315 7.9632 119.7495 64.4039 37.0039 178.2992 60 E 4.0106 8.3523 119.4856 59.3992 29.3141 179.4628 61 R 4.0019 8.1375 118.6369 59.5362 30.2128 178.4851 62 I 3.7469 7.9518 119.6580 64.5773 37.1305 178.4731 63 L 4.0339 8.0819 119.7158 57.6807 41.2355 179.2282 64 F 4.2983 8.3170 119.8989 61.1067 39.5171 176.3120 65 L 3.9084 8.0252 116.2785 54.1503 41.2372 177.1346 66 E 3.6934 7.8606 117.4899 57.2923 27.2009 174.8010 67 G 3.8903 7.8588 108.1040 44.4185 0.0000 173.7535 68 L 4.5748 7.9966 118.9082 51.9802 42.6648 175.2310 69 P 4.3660 0.0000 0.0000 62.4058 31.7974 176.0216 70 N 4.6188 9.3827 122.7586 52.6280 38.0334 174.0754 71 L 4.5466 8.2377 124.0685 54.5132 42.2391 177.5555 72 Q 4.0977 8.5957 122.2118 57.7684 29.3610 175.6560 73 D 4.6466 8.1015 117.7379 52.5780 41.7244 175.2719 74 L 4.5464 8.3452 126.3161 52.8887 43.7159 176.4695 75 G 3.8184 8.3006 117.0894 44.6873 0.0000 171.1393 76 K 4.1264 8.4031 121.5614 55.5079 32.4439 177.4845 77 L 4.0208 8.4195 127.1136 54.7236 42.0790 177.0990 78 L 4.4332 8.8298 124.7222 53.3967 40.8776 175.2095 79 I 4.3851 8.0519 124.1017 59.3846 38.6162 176.6101 80 G 4.0303 8.6492 114.3339 44.8257 0.0000 172.7866 81 E 4.6067 8.6075 117.3007 56.7144 31.0164 176.2081 82 N 5.0588 7.6907 115.1789 50.5055 41.8050 175.1461 83 T 4.4227 8.5532 116.1096 67.1988 68.5466 176.4659 84 Q 3.9921 8.2578 120.8388 59.4000 29.0664 178.0997 85 E 4.0960 8.6542 119.5509 59.3904 29.4549 179.1627 86 M 3.9901 8.3378 119.0218 58.3496 31.8838 178.8158 87 L 4.2141 8.4116 119.3380 57.8101 41.8246 179.3134 88 Q 4.0020 8.2067 119.6469 59.2838 28.9123 178.0156 89 C 4.1926 8.6484 118.2316 62.9526 28.1408 175.6747 90 D 4.6627 8.4952 120.5546 57.4942 40.4195 178.6828 91 L 3.9702 8.2841 120.9789 58.2908 42.1370 178.7803 92 N 4.3354 8.7255 116.7024 56.2708 38.4797 177.0741 93 L 4.0048 8.2190 121.8289 58.4068 42.1999 178.9717 94 E 4.0923 8.5153 118.5515 59.2946 29.4586 179.3536 95 L 4.0550 8.2416 119.4715 57.4472 41.6392 179.4205 96 K 3.9405 8.0415 119.0371 59.3420 32.2046 178.5479 97 A 4.0253 8.1663 121.1685 55.7706 18.2774 179.8444 98 T 3.8674 8.0753 114.0314 66.4380 68.6133 176.8235 99 K 3.8960 7.9538 121.3097 59.8892 32.2573 178.6085 100 D 4.4332 8.2891 118.9605 57.1606 40.5761 178.8169 101 L 4.0081 8.0825 119.6434 57.8540 41.6642 179.6757 102 R 3.9211 8.1165 117.9726 59.4304 30.0130 179.0452 103 E 3.9792 8.1379 117.6296 59.3128 29.4342 179.2802 104 A 3.6675 8.0309 120.8027 54.7026 18.4021 179.8617 105 I 3.6628 7.9278 119.0061 64.3725 37.2037 178.4349 106 V 3.5874 7.8174 119.1861 66.4534 31.2800 177.5742 107 H 4.0605 8.1146 117.5811 59.4369 29.6688 176.6563 108 C 3.8874 8.1074 118.5854 62.9370 27.9085 175.8554 109 E 3.8855 8.1877 120.3909 59.4810 29.0791 178.4459 110 Q 3.9848 7.8172 117.9860 58.8671 29.0288 178.0299 111 V 3.9499 7.2000 110.1375 60.4116 31.9235 175.4452 112 H 3.0209 7.8736 114.4834 56.9703 26.8324 176.2288 113 D 4.5012 7.4831 120.3582 53.5239 38.7128 175.2220 114 Y 4.3658 7.5763 121.9357 60.2794 38.4290 177.4951 115 V 3.6345 7.8573 119.0197 66.0427 31.7474 177.9367 116 S 4.1667 8.3651 114.9938 61.7452 62.6112 176.7025 117 R 3.8927 7.9729 121.0494 59.5048 29.8035 178.0220 118 D 4.3219 8.3940 117.9547 57.1739 41.2124 178.0092 119 L 3.9400 8.0581 120.8131 58.2781 42.1581 179.0270 120 L 4.0344 8.1472 119.0340 57.4734 41.4005 179.4233 121 K 3.9597 8.4214 120.0701 59.5667 32.2647 178.5373 122 D 4.3673 8.0811 119.1600 57.5466 40.6887 178.9611 123 I 3.5299 7.7739 120.2240 64.1862 36.9881 178.2148 124 L 3.9354 8.3934 121.6653 58.0179 41.8642 178.6404 125 E 3.9157 8.5101 119.6581 59.4221 29.6855 178.8275 126 S 4.4317 7.9285 114.2154 60.9572 62.4558 175.9794 127 E 4.1343 8.5315 121.5648 59.3636 29.1744 179.1635 128 E 4.0624 8.5242 119.1394 59.3240 29.1941 179.0767 129 E 4.0517 8.4324 118.8163 59.7064 29.5014 178.8972 130 H 4.4656 8.2470 118.1538 59.3499 29.9447 177.3666 131 I 3.7292 8.0298 121.7383 64.2446 36.8350 177.8122 132 D 4.2918 8.2183 118.8719 57.5580 41.1034 177.5711 133 Y 4.0567 8.1268 119.8857 60.8364 38.7910 178.2984 134 L 3.7778 8.1460 119.6919 57.8507 41.7829 179.3842 135 E 3.9590 8.6722 118.8999 59.5874 29.3259 179.5603 136 T 3.8247 8.0212 116.0411 66.6823 68.4909 176.8014 137 Q 3.8227 7.7720 120.0103 58.7391 28.2287 178.6783 138 L 3.9060 7.9162 120.2562 57.5079 41.6368 179.6918 139 G 3.6388 8.0110 105.8134 47.7309 0.0000 175.7946 140 L 4.0171 7.6891 121.2210 57.4519 41.7905 179.2046 141 I 3.5150 7.3164 119.8050 64.7799 36.7948 178.4330 142 Q 3.9949 7.4136 116.1725 58.6770 28.5705 178.4740 143 K 4.1554 7.7424 118.6300 58.6870 32.4308 178.9390 144 V 4.1287 8.3944 110.4547 60.0382 32.8319 177.1953 145 G 4.1245 7.5485 104.6022 45.8294 0.0000 174.4344 146 L 3.9932 8.4247 122.0690 58.0623 42.1629 179.3473 147 E 3.9944 8.1479 118.0612 59.4840 29.3670 179.0045 148 N 4.3316 8.1011 116.0509 56.3503 38.5113 176.5499 149 Y 4.0587 7.9114 119.7900 60.8959 39.1690 178.0619 150 L 4.0720 8.2455 119.8502 57.6764 41.7425 179.1619 151 Q 3.9094 8.0565 119.6098 59.3505 28.8088 178.4514 152 S 4.2168 8.1768 114.5117 60.3974 63.0460 174.5980 153 H 4.5741 7.5812 118.1677 55.6215 29.4341 176.3653 154 M 4.2433 7.8805 121.4876 57.8019 31.9169 176.1268 155 H 5.1725 7.6054 113.6911 53.8794 30.9160 174.7477 156 E 4.1412 8.6439 120.9930 56.7958 29.3431 176.8687 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 2 K 8.30 4.21 0.00 1.78 1.89 0.00 0.61 0.00 0.00 1.41 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.18 7.81 3 G 7.43 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.44 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.90 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.04 4.28 0.00 1.96 1.58 0.00 1.96 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.30 7.81 7 V 8.03 3.63 2.24 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 0.94 0.00 0.00 1.02 0.00 0.00 8 I 7.82 3.68 2.01 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 1.51 0.57 0.90 0.00 0.00 9 Q 8.07 3.96 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 10 H 8.33 4.19 0.00 3.33 3.33 0.00 5.63 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 11 L 8.51 4.03 0.00 1.77 1.75 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.53 4.43 0.00 2.84 2.85 0.00 0.00 6.65 8.54 0.00 0.00 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 K 8.01 3.92 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 8.12 3.69 2.00 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 1.69 0.74 0.92 0.00 0.00 15 L 8.64 4.04 0.00 1.76 1.94 0.92 1.22 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 G 8.57 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.32 4.38 0.00 2.89 2.88 0.00 0.00 7.01 7.17 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 18 E 8.37 3.99 0.00 2.14 2.01 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 2.52 2.54 0.00 19 L 8.19 3.95 0.00 1.78 1.68 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.56 3.63 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.88 0.00 0.00 21 A 7.83 3.32 1.08 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 22 I 7.73 3.60 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.88 0.00 0.00 23 N 7.73 4.34 0.00 2.89 2.82 0.00 0.00 6.76 7.84 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 24 Q 8.25 3.82 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 25 Y 8.09 4.89 0.00 3.05 2.95 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 26 F 8.55 3.89 0.00 3.33 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 27 L 8.36 3.99 0.00 1.81 1.67 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.59 3.89 0.00 3.30 2.80 0.00 5.70 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 29 S 8.42 4.34 0.00 3.88 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 30 R 7.78 3.86 0.00 1.90 1.89 0.00 2.94 0.00 0.00 2.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 31 M 7.81 3.46 0.00 0.87 1.59 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.14 0.00 32 W 7.95 4.53 0.00 3.68 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 33 N 8.48 4.40 0.00 2.87 2.86 0.00 0.00 6.70 8.63 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 34 D 7.99 4.37 0.00 2.54 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 0.00 0.00 0.00 0.00 35 W 8.00 4.86 0.00 3.72 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 36 G 8.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.77 0.00 2.17 1.64 1.27 0.68 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 38 K 8.38 4.10 0.00 2.00 1.86 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 8.02 3.87 0.00 2.03 1.93 0.00 3.10 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 40 L 7.75 3.79 0.00 1.24 0.13 0.28 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.18 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 42 A 8.26 4.00 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 43 H 8.28 4.00 0.00 3.25 3.23 0.00 5.79 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 E 8.58 3.98 0.00 2.55 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 0.00 2.76 2.64 0.00 45 Y 8.24 3.96 0.00 3.00 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 46 H 8.15 4.02 0.00 3.30 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.11 3.81 0.00 1.87 1.60 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 2.18 2.04 0.00 48 S 8.02 4.27 0.00 4.09 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 49 I 7.63 3.57 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.63 0.84 0.00 0.00 50 D 8.10 4.26 0.00 2.81 2.61 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 0.00 0.00 0.00 0.00 51 E 8.34 4.17 0.00 2.19 2.10 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 2.81 2.71 0.00 52 M 8.26 4.03 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 53 K 7.95 4.01 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.65 7.81 54 H 8.10 4.29 0.00 3.40 3.33 0.00 5.64 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 55 A 8.29 4.01 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 56 D 8.08 4.24 0.00 2.90 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 57 K 8.08 3.98 0.00 2.01 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 58 L 8.19 4.04 0.00 1.85 1.74 0.98 0.75 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 59 I 7.96 3.73 2.02 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 1.53 0.93 0.92 0.00 0.00 60 E 8.35 4.01 0.00 2.03 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 2.35 2.58 0.00 61 R 8.14 4.00 0.00 2.09 2.12 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 62 I 7.95 3.75 2.03 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 1.54 0.81 0.95 0.00 0.00 63 L 8.08 4.03 0.00 2.00 1.77 0.93 0.92 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 64 F 8.32 4.30 0.00 3.01 3.39 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 65 L 8.03 3.91 0.00 1.89 1.59 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.86 3.69 0.00 2.03 2.01 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 2.17 2.11 0.00 67 G 7.86 3.89 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 0.00 0.00 0.00 68 L 8.00 4.57 0.00 1.61 1.60 0.91 1.00 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 69 P 0.00 4.37 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.38 4.62 0.00 2.61 2.84 0.00 0.00 7.15 7.82 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 71 L 8.24 4.55 0.00 1.63 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.60 4.10 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.10 4.65 0.00 2.69 2.58 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 74 L 8.35 4.55 0.00 1.51 1.51 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.30 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 0.00 0.00 0.00 76 K 8.40 4.13 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 L 8.42 4.02 0.00 1.63 1.55 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.83 4.43 0.00 1.77 1.68 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.05 4.39 1.88 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 1.33 0.79 0.91 0.00 0.00 80 G 8.65 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 81 E 8.61 4.61 0.00 2.17 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 2.26 0.00 82 N 7.69 5.06 0.00 2.87 2.82 0.00 0.00 6.29 7.22 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 83 T 8.55 4.42 4.48 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 1.54 0.00 0.00 84 Q 8.26 3.99 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 85 E 8.65 4.10 0.00 2.24 2.01 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 2.35 2.59 0.00 86 M 8.34 3.99 0.00 1.35 2.13 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.00 0.00 87 L 8.41 4.21 0.00 1.92 1.78 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.21 4.00 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.65 4.19 0.00 3.26 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 90 D 8.50 4.66 0.00 3.12 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 91 L 8.28 3.97 0.00 1.87 1.88 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.73 4.34 0.00 2.91 2.88 0.00 0.00 6.70 6.78 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 93 L 8.22 4.00 0.00 1.91 1.95 0.91 1.02 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 94 E 8.52 4.09 0.00 2.19 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 2.65 2.53 0.00 95 L 8.24 4.06 0.00 1.86 1.73 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.04 3.94 0.00 1.90 1.95 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.17 4.03 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 98 T 8.08 3.87 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 1.30 0.00 0.00 99 K 7.95 3.90 0.00 1.87 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 100 D 8.29 4.43 0.00 2.90 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 0.00 101 L 8.08 4.01 0.00 1.97 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.12 3.92 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 103 E 8.14 3.98 0.00 2.06 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 2.35 2.45 0.00 104 A 8.03 3.67 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 0.00 105 I 7.93 3.66 2.00 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 1.42 0.97 0.93 0.00 0.00 106 V 7.82 3.59 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 1.00 0.00 0.00 0.94 0.00 0.00 107 H 8.11 4.06 0.00 3.29 3.22 0.00 5.86 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 0.00 108 C 8.11 3.89 0.00 3.15 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 0.00 109 E 8.19 3.89 0.00 2.23 2.15 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 2.37 2.44 0.00 110 Q 7.82 3.98 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 111 V 7.20 3.95 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 0.63 0.00 0.00 0.85 0.00 0.00 112 H 7.87 3.02 0.00 3.08 3.11 0.00 5.66 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.48 4.50 0.00 2.62 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 0.00 114 Y 7.58 4.37 0.00 3.10 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 0.00 115 V 7.86 3.63 2.15 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 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.37 4.17 0.00 4.22 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 0.00 117 R 7.97 3.89 0.00 1.96 2.19 0.00 3.23 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 118 D 8.39 4.32 0.00 3.02 2.79 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 0.00 119 L 8.06 3.94 0.00 1.79 1.85 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.15 4.03 0.00 1.88 1.71 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.42 3.96 0.00 1.90 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 D 8.08 4.37 0.00 2.96 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 0.00 123 I 7.77 3.53 1.94 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 1.17 0.67 0.79 0.00 0.00 124 L 8.39 3.94 0.00 1.78 1.86 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.51 3.92 0.00 2.07 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 0.00 2.33 2.34 0.00 126 S 7.93 4.43 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 4.13 0.00 2.06 2.28 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 2.66 2.53 0.00 128 E 8.52 4.06 0.00 2.17 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 2.36 2.59 0.00 129 E 8.43 4.05 0.00 2.24 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 0.00 2.37 2.44 0.00 130 H 8.25 4.47 0.00 3.27 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.03 3.73 2.05 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 1.44 0.40 0.93 0.00 0.00 132 D 8.22 4.29 0.00 2.96 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 0.00 133 Y 8.13 4.06 0.00 3.21 3.21 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 0.00 134 L 8.15 3.78 0.00 2.10 1.67 1.12 0.63 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 0.00 135 E 8.67 3.96 0.00 1.99 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 2.31 2.46 0.00 136 T 8.02 3.82 4.30 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 1.16 0.00 0.00 137 Q 7.77 3.82 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.55 1.89 0.00 138 L 7.92 3.91 0.00 1.70 1.61 0.85 0.78 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 0.00 139 G 8.01 3.64 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 0.00 0.00 0.00 140 L 7.69 4.02 0.00 1.78 1.83 1.03 1.03 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 0.00 141 I 7.32 3.52 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.03 0.80 0.00 0.00 142 Q 7.41 3.99 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 143 K 7.74 4.16 0.00 1.75 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 144 V 8.39 4.13 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 0.77 0.00 0.00 1.10 0.00 0.00 145 G 7.55 4.12 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 0.00 146 L 8.42 3.99 0.00 1.76 1.68 0.96 0.93 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 0.00 147 E 8.15 3.99 0.00 2.06 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 2.40 2.40 0.00 148 N 8.10 4.33 0.00 3.06 2.88 0.00 0.00 6.75 7.48 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 0.00 149 Y 7.91 4.06 0.00 2.94 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 0.00 150 L 8.25 4.07 0.00 1.75 1.72 0.94 0.90 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 0.00 151 Q 8.06 3.91 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 152 S 8.18 4.22 0.00 3.76 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 0.00 153 H 7.58 4.57 0.00 2.92 3.05 0.00 5.81 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 0.00 154 M 7.88 4.24 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.44 0.00 155 H 7.61 5.17 0.00 3.08 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.64 4.14 0.00 1.95 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 2.31 2.30 0.00