NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4218 8.3049 120.3489 54.7783 32.7993 175.1481 2 L 3.9226 8.4738 126.9206 54.7979 42.0942 176.1684 3 K 4.3007 8.7111 121.0238 57.0991 33.7061 176.1255 4 Q 4.6325 7.5446 119.2992 53.9096 32.5138 174.6239 5 V 4.0988 8.6629 125.6851 62.7248 33.1364 174.3956 6 E 4.9803 8.6725 126.8927 54.5495 32.3138 175.0053 7 I 5.1008 8.1683 124.4913 59.4424 41.2039 174.5222 8 F 5.9121 9.6458 124.0910 54.9762 42.6175 174.2063 9 T 5.3329 8.6158 111.3823 60.6621 71.7920 172.2339 10 D 4.8468 9.0992 121.1286 53.5376 45.2443 174.0811 11 G 4.4060 8.5870 108.6660 44.8441 0.0000 171.6129 12 S 4.9360 9.3667 115.8892 56.9197 66.5493 172.2010 13 C 5.1090 8.4337 122.8373 58.4503 33.9821 173.5311 14 L 4.4287 8.5788 124.2865 55.5879 42.2355 176.2447 15 G 4.0690 7.3959 105.6757 45.0449 0.0000 172.1078 16 N 5.0525 8.2453 113.7539 51.2783 37.8209 172.4650 17 P 4.6736 0.0000 0.0000 62.1629 33.9627 175.8617 18 G 4.2032 8.4244 106.8736 44.5514 0.0000 170.3826 19 P 4.9586 0.0000 0.0000 62.3702 32.6625 176.0464 20 G 4.5809 9.2264 110.4776 45.5343 0.0000 170.4192 21 G 4.7084 8.9392 106.2930 45.8434 0.0000 171.6032 22 Y 5.5041 8.4421 117.0042 55.4060 42.2506 174.5161 23 G 4.6340 9.3179 106.1874 44.7395 0.0000 171.5580 24 A 5.5557 9.4124 124.9669 50.5378 23.3241 174.8861 25 I 5.0899 8.9347 122.7445 59.3782 40.5137 174.3771 26 L 5.0699 9.3409 129.1284 53.5333 44.8855 175.3682 27 R 5.0206 9.3093 126.9956 54.9299 31.1379 174.0119 28 Y 4.8924 8.5707 125.1347 56.9813 41.9539 175.9803 29 R 3.7521 9.4589 127.9898 57.5210 27.9423 177.1472 30 G 4.0713 9.2270 111.0154 45.8508 0.0000 172.5335 31 R 4.5754 7.8597 118.8841 53.9498 32.8120 174.3337 32 E 5.0771 8.5462 119.7138 54.6897 31.5598 174.9420 33 K 4.5707 9.4775 127.1629 55.0663 34.8089 175.6587 34 T 5.0652 8.0371 119.4657 61.7826 71.5626 173.2403 35 F 5.0271 9.2206 125.0857 55.9214 42.3305 174.4548 36 S 4.7210 8.8605 113.5617 58.3937 65.1850 173.9327 37 A 4.4256 7.1851 126.3807 50.7774 22.6062 174.9804 38 G 4.3968 8.3345 105.8809 44.5685 0.0000 171.6805 39 Y 5.2418 9.1164 119.2373 55.9061 41.1973 176.8524 40 T 3.8659 8.9905 114.5789 64.5822 70.1292 173.8480 41 R 4.6118 7.8323 122.4192 55.7351 32.3137 173.4555 42 T 4.1046 8.9376 123.2498 61.5245 71.1012 171.9707 43 T 4.8659 8.0240 109.2260 59.1259 72.2668 174.2395 44 N 4.2248 8.6548 119.4440 57.0446 38.9900 176.5780 45 N 4.0950 7.8778 117.2788 56.3055 38.5784 177.5391 46 R 3.8869 7.7619 119.0519 59.4180 29.9771 179.0511 47 M 4.1126 8.0099 118.6297 58.2198 32.0270 178.6691 48 E 4.0382 8.1852 118.8930 59.5075 29.6713 179.4421 49 L 3.9973 7.7536 118.5457 57.8445 41.6423 179.2222 50 M 3.7887 8.0409 118.0020 58.0874 31.7177 178.1551 51 A 3.4745 7.5261 120.9835 54.9387 18.6382 179.4197 52 A 3.9182 7.4588 117.7844 55.4327 18.3924 179.5380 53 I 3.4744 7.6514 118.2306 64.7027 36.9782 178.5769 54 V 3.2855 7.3489 117.7852 66.0165 31.0204 177.7981 55 A 3.6111 7.2839 119.9076 54.9168 18.2096 179.7066 56 L 3.7817 7.6492 117.4816 57.8684 41.5651 179.4461 57 E 3.9848 8.1333 117.0010 58.6760 29.4005 178.6455 58 A 4.2206 7.1337 118.8210 52.8047 18.9045 177.5651 59 L 3.7322 7.3078 118.3281 54.4441 42.1104 177.1752 60 K 4.4649 8.6982 122.1288 56.3345 33.1313 175.6364 61 E 4.7238 7.7464 115.1901 54.1383 32.8579 174.4532 62 H 4.6026 8.4686 116.4686 55.7591 29.1999 174.8836 63 C 4.9970 9.1626 119.4554 57.9674 32.8975 172.5004 64 E 4.8696 8.5929 119.1113 55.0944 30.9786 175.6218 65 V 4.7220 8.8955 124.9415 60.9048 35.3871 174.3418 66 I 4.6740 8.0103 123.6979 59.1843 41.1080 173.4250 67 L 4.7349 8.2258 132.3411 53.0994 44.5114 174.7022 68 S 5.7296 8.4987 121.4045 56.0911 64.6774 172.5506 69 T 5.1162 8.6022 120.3243 61.0603 70.6116 173.2173 70 D 5.5183 8.7871 123.8899 52.2297 40.1073 175.6437 71 S 4.4656 8.2103 116.8386 58.4656 62.9281 174.7197 72 Q 3.8126 8.8102 128.8274 58.9830 28.8376 177.1586 73 Y 4.2056 8.0296 120.2313 60.8389 38.9764 177.9760 74 I 3.7324 7.9914 120.6460 64.3146 37.1522 178.2941 75 R 2.5100 7.0599 119.1473 59.0032 29.5967 178.4153 76 Q 3.2447 7.8984 118.0009 58.4907 28.4441 179.0387 77 G 2.7885 7.0283 106.4212 47.7230 0.0000 175.7465 78 I 3.5799 7.6228 122.5532 63.4633 37.1491 178.0591 79 T 4.1037 7.4564 109.2586 62.7194 69.2370 175.6323 80 Q 4.2166 7.5206 118.5365 55.6329 31.6122 176.9817 81 W 3.9027 6.9836 116.5335 58.5179 29.7167 177.9636 82 I 3.3252 7.0007 118.7877 64.4873 36.7982 176.9312 83 H 3.8132 7.8366 118.0212 59.5580 29.2791 176.9428 84 N 4.0629 7.8270 117.4819 55.9211 38.3003 177.3592 85 W 4.2624 7.8369 120.5604 59.3062 28.7936 178.7158 86 K 3.1091 7.3866 118.0044 58.8076 31.5309 179.1059 87 K 4.1443 7.3327 117.3433 58.0883 32.0545 178.4817 88 R 4.5208 7.3584 116.5345 54.8579 30.0652 176.6569 89 G 4.1547 8.2862 105.8658 46.3648 0.0000 173.8363 90 W 3.4628 8.5742 116.1344 57.5314 26.9020 174.2997 91 K 4.9470 7.4257 115.3193 54.5530 35.8327 177.0302 92 T 4.2516 8.4660 111.9897 60.6079 69.8486 175.4629 93 A 3.9864 8.6253 124.7438 55.1860 18.2199 177.9833 94 D 4.7335 7.9802 112.8683 53.0874 39.7414 176.3534 95 K 3.8463 7.8453 116.0995 58.0596 30.3102 175.5733 96 K 4.5442 7.5253 117.4199 53.9583 34.0011 174.2663 97 P 4.7604 0.0000 0.0000 62.6016 31.8628 177.1380 98 V 3.6214 8.1592 116.8246 60.7870 32.8870 175.5230 99 K 3.8768 8.2980 124.5118 57.3089 32.7336 176.2467 100 N 4.4107 9.0935 123.7001 54.4727 36.0685 176.5042 101 V 3.5445 7.4853 122.1828 64.9092 31.0617 177.4556 102 D 4.1868 7.9361 119.1775 56.4379 39.2075 178.5625 103 L 3.8759 7.7169 120.4845 57.0333 41.6827 179.3961 104 W 4.4560 8.4611 119.2573 59.9750 28.9393 178.6974 105 Q 3.6712 8.0788 118.2942 58.4671 27.4875 178.6012 106 R 3.8103 7.7600 119.5523 59.3127 30.1493 178.2831 107 L 3.9783 8.2614 120.4658 58.2398 42.0782 178.1024 108 D 4.5932 8.6423 118.0094 57.7399 40.9099 178.3435 109 A 4.0647 8.1546 119.6748 55.1963 18.6290 179.2020 110 A 4.1207 7.8485 118.4742 55.0915 18.5293 179.9440 111 L 4.2636 8.3799 118.0021 57.7824 41.5952 179.2570 112 G 3.9129 7.8714 102.0604 45.9966 0.0000 174.4126 113 Q 4.5211 7.7227 118.3283 55.6945 29.2496 174.0168 114 H 5.1170 7.7120 115.7253 54.4082 33.9855 172.4544 115 Q 4.5202 9.0020 118.5810 54.8205 30.0481 175.1878 116 I 4.5025 8.2885 125.1138 59.1098 39.6767 175.0815 117 K 4.3500 8.3457 127.8881 54.4029 34.2641 174.6560 118 W 4.5075 8.5267 127.7416 55.4560 30.6588 175.8634 119 E 4.2003 8.8301 125.0242 54.0240 31.7693 174.7456 120 W 5.4000 8.4324 128.1070 56.3734 29.5679 176.8940 121 V 4.3319 8.8179 119.1868 59.9981 33.8048 175.5250 122 K 4.5653 8.4989 121.1623 55.2687 33.3799 178.4350 123 G 4.2050 8.6312 113.6957 46.7793 0.0000 174.0709 124 H 4.8275 8.1632 112.5465 54.7382 28.9039 175.3524 125 A 4.5507 8.6311 124.0638 51.2683 19.0254 176.7437 126 G 3.8903 7.8399 110.8343 45.5705 0.0000 173.1537 127 H 4.7333 8.9154 117.1240 53.8571 30.2307 174.8677 128 P 5.1328 0.0000 0.0000 65.2708 30.8639 178.9203 129 E 3.6980 7.8197 117.1956 59.2775 29.2485 178.8419 130 N 4.4880 8.0830 116.5738 56.3578 38.6090 177.4037 131 E 4.0247 8.0963 119.6552 59.2478 29.5306 179.1516 132 R 3.9081 8.0521 118.9187 59.5039 30.1324 178.3837 133 C 4.1847 8.0707 116.4936 62.8099 28.0732 175.3853 134 D 4.5723 8.1612 120.9290 56.7850 40.7624 178.0677 135 E 3.9207 8.2480 119.5737 59.2471 29.5675 178.8178 136 L 3.9311 8.3180 119.1336 57.6299 41.7158 179.1048 137 A 3.9297 8.4453 121.1057 55.4826 18.1149 179.9307 138 R 3.8787 8.0704 114.9341 59.1939 30.5076 178.9023 139 A 4.0930 8.0309 120.3178 55.1387 18.3864 179.2800 140 A 3.8624 8.2053 119.3392 55.5430 18.2068 179.7990 141 A 4.1139 7.6661 116.9957 55.0189 18.4954 178.8238 142 M 4.3340 7.6428 114.6022 55.7608 33.7063 176.5406 143 N 4.9795 7.8803 117.4509 51.6504 39.9693 172.1523 144 P 4.2417 0.0000 0.0000 62.9594 32.5195 176.9304 145 T 4.3022 8.3093 111.5131 62.1077 70.8832 174.4205 146 L 4.3688 7.5716 121.5971 53.1949 43.1596 174.5574 147 E 4.8045 8.4915 120.4709 54.6768 30.9758 175.2744 148 D 4.7171 8.6060 126.2348 52.8669 40.2425 175.9922 149 T 3.9748 8.2725 122.2397 66.1848 68.8956 177.0157 150 G 4.4357 8.0644 109.9083 47.3438 0.0000 172.8225 151 Y 4.2327 7.9587 121.5950 57.4880 38.7871 174.8999 152 Q 4.1524 7.3015 124.4616 53.7547 32.5893 176.4946 153 V 3.7385 7.9622 120.8997 65.4236 33.0961 177.8102 154 E 4.3188 6.6580 115.6978 55.5572 28.8112 177.1361 155 V 3.7004 8.6909 129.1210 64.3483 31.4102 175.0356 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 4.42 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 L 8.47 3.92 0.00 1.78 1.81 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.71 4.30 0.00 1.73 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 4 Q 7.54 4.63 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 5 V 8.66 4.10 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 0.72 0.00 0.00 0.98 0.00 0.00 6 E 8.67 4.98 0.00 1.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 7 I 8.17 5.10 1.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.86 0.00 0.00 8 F 9.65 5.91 0.00 2.96 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 9 T 8.62 5.33 4.34 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 1.29 0.00 0.00 10 D 9.10 4.85 0.00 2.83 2.50 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 0.00 0.00 0.00 0.00 11 G 8.59 4.41 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 0.00 12 S 9.37 4.94 0.00 3.86 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 13 C 8.43 5.11 0.00 3.00 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 14 L 8.58 4.43 0.00 1.60 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.40 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.25 5.05 0.00 2.66 2.68 0.00 0.00 6.85 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 17 P 0.00 4.67 0.00 1.78 1.49 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 18 G 8.42 4.20 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 0.00 19 P 0.00 4.96 0.00 2.32 2.29 0.00 3.79 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 2.06 1.81 0.00 20 G 9.23 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 0.00 0.00 0.00 0.00 21 G 8.94 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.44 5.50 0.00 3.25 3.20 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 23 G 9.32 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 0.00 0.00 0.00 0.00 24 A 9.41 5.56 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 25 I 8.93 5.09 2.06 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 1.01 0.00 0.00 26 L 9.34 5.07 0.00 1.95 1.83 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.31 5.02 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 28 Y 8.57 4.89 0.00 2.99 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 29 R 9.46 3.75 0.00 1.74 1.20 0.00 3.16 0.00 0.00 2.91 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 30 G 9.23 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.86 4.58 0.00 1.89 1.83 0.00 3.05 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 32 E 8.55 5.08 0.00 1.95 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 2.20 2.35 0.00 33 K 9.48 4.57 0.00 1.74 1.17 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.40 7.81 34 T 8.04 5.07 4.16 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 1.22 0.00 0.00 35 F 9.22 5.03 0.00 3.13 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 36 S 8.86 4.72 0.00 3.78 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 37 A 7.19 4.43 0.99 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 38 G 8.33 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 0.00 0.00 0.00 0.00 39 Y 9.12 5.24 0.00 2.89 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 40 T 8.99 3.87 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 1.29 0.00 0.00 41 R 7.83 4.61 0.00 1.78 1.84 0.00 3.29 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 42 T 8.94 4.10 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 1.28 0.00 0.00 43 T 8.02 4.87 4.16 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 1.22 0.00 0.00 44 N 8.65 4.22 0.00 2.82 2.80 0.00 0.00 6.88 6.71 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 45 N 7.88 4.09 0.00 2.32 1.43 0.00 0.00 7.09 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 46 R 7.76 3.89 0.00 1.78 1.85 0.00 3.40 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 47 M 8.01 4.11 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.81 0.00 48 E 8.19 4.04 0.00 2.26 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 2.41 2.51 0.00 49 L 7.75 4.00 0.00 1.72 1.47 0.20 -0.28 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 50 M 8.04 3.79 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.51 0.00 51 A 7.53 3.47 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 52 A 7.46 3.92 1.45 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 0.00 0.00 53 I 7.65 3.47 1.70 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 1.34 0.84 0.84 0.00 0.00 54 V 7.35 3.29 1.64 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 0.48 0.00 0.00 0.71 0.00 0.00 55 A 7.28 3.61 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 56 L 7.65 3.78 0.00 1.63 1.65 0.91 0.76 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 57 E 8.13 3.98 0.00 1.87 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 0.00 2.31 2.38 0.00 58 A 7.13 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.31 3.73 0.00 1.62 1.40 0.46 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.70 4.46 0.00 1.91 1.91 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.57 7.81 61 E 7.75 4.72 0.00 2.03 1.92 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 2.26 2.32 0.00 62 H 8.47 4.60 0.00 3.11 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.16 5.00 0.00 2.69 2.75 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 64 E 8.59 4.87 0.00 1.87 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 2.27 0.00 65 V 8.90 4.72 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 0.61 0.00 0.00 0.68 0.00 0.00 66 I 8.01 4.67 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.19 0.75 0.00 0.00 67 L 8.23 4.73 0.00 1.07 0.59 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.50 5.73 0.00 3.97 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 69 T 8.60 5.12 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 1.69 0.00 0.00 70 D 8.79 5.52 0.00 2.96 2.94 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 71 S 8.21 4.47 0.00 4.02 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 72 Q 8.81 3.81 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 73 Y 8.03 4.21 0.00 3.17 3.20 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 74 I 7.99 3.73 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.92 0.00 0.00 75 R 7.06 2.51 0.00 0.67 1.28 0.00 2.35 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 76 Q 7.90 3.24 0.00 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 77 G 7.03 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 0.00 0.00 0.00 78 I 7.62 3.58 1.45 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 -0.12 0.58 0.00 0.00 79 T 7.46 4.10 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 1.06 0.00 0.00 80 Q 7.52 4.22 0.00 1.39 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 81 W 6.98 3.90 0.00 1.78 1.74 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 82 I 7.00 3.33 1.72 0.00 0.00 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 1.50 1.54 0.86 0.00 0.00 83 H 7.84 3.81 0.00 3.19 3.17 0.00 5.92 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 84 N 7.83 4.06 0.00 2.67 2.76 0.00 0.00 7.03 7.68 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 85 W 7.84 4.26 0.00 2.89 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 0.00 0.00 0.00 86 K 7.39 3.11 0.00 1.48 1.70 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 0.79 7.81 87 K 7.33 4.14 0.00 1.59 1.81 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.38 7.81 88 R 7.36 4.52 0.00 1.99 1.93 0.00 3.25 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 89 G 8.29 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 90 W 8.57 3.46 0.00 3.48 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 91 K 7.43 4.95 0.00 1.81 1.64 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.35 7.81 92 T 8.47 4.25 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 93 A 8.63 3.99 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 94 D 7.98 4.73 0.00 2.78 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 95 K 7.85 3.85 0.00 1.93 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.53 7.81 96 K 7.53 4.54 0.00 1.80 1.66 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81 97 P 0.00 4.76 0.00 1.86 1.92 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 98 V 8.16 3.62 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 -0.07 0.00 0.00 0.18 0.00 0.00 99 K 8.30 3.88 0.00 1.78 1.88 0.00 2.03 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 100 N 9.09 4.41 0.00 3.36 3.01 0.00 0.00 6.87 7.68 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 0.00 101 V 7.49 3.54 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 0.70 0.00 0.00 0.61 0.00 0.00 102 D 7.94 4.19 0.00 2.82 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 0.00 103 L 7.72 3.88 0.00 1.70 1.55 0.82 0.85 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 0.00 104 W 8.46 4.46 0.00 3.42 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 0.00 105 Q 8.08 3.67 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.17 0.00 106 R 7.76 3.81 0.00 1.96 1.99 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 107 L 8.26 3.98 0.00 1.84 1.97 1.01 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 0.00 108 D 8.64 4.59 0.00 3.40 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 0.00 109 A 8.15 4.06 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 0.00 110 A 7.85 4.12 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 0.00 111 L 8.38 4.26 0.00 2.02 1.90 1.30 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.87 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 0.00 0.00 0.00 113 Q 7.72 4.52 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 114 H 7.71 5.12 0.00 2.95 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.00 4.52 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 116 I 8.29 4.50 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 -0.15 0.00 0.00 117 K 8.35 4.35 0.00 1.68 1.69 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.25 7.81 118 W 8.53 4.51 0.00 2.61 1.74 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 0.00 119 E 8.83 4.20 0.00 1.80 1.66 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 2.19 2.23 0.00 120 W 8.43 5.40 0.00 3.26 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 0.00 121 V 8.82 4.33 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 1.04 0.00 0.00 1.03 0.00 0.00 122 K 8.50 4.57 0.00 1.68 1.58 0.00 1.86 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.38 7.81 123 G 8.63 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 0.00 124 H 8.16 4.83 0.00 3.30 3.41 0.00 5.52 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 0.00 125 A 8.63 4.55 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 0.00 126 G 7.84 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 0.00 127 H 8.92 4.73 0.00 3.23 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 5.13 0.00 2.08 2.07 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 129 E 7.82 3.70 0.00 1.16 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 1.47 1.95 0.00 130 N 8.08 4.49 0.00 2.88 2.96 0.00 0.00 7.05 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 0.00 131 E 8.10 4.02 0.00 2.00 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 2.37 0.00 132 R 8.05 3.91 0.00 2.08 1.89 0.00 3.06 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 133 C 8.07 4.18 0.00 3.32 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 0.00 134 D 8.16 4.57 0.00 2.96 2.88 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 0.00 135 E 8.25 3.92 0.00 2.27 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 2.30 2.35 0.00 136 L 8.32 3.93 0.00 1.87 1.69 0.96 0.89 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 0.00 137 A 8.45 3.93 1.51 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 0.00 0.00 0.00 138 R 8.07 3.88 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 139 A 8.03 4.09 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 0.00 140 A 8.21 3.86 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 0.00 141 A 7.67 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.64 4.33 0.00 2.02 2.24 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 2.60 2.83 0.00 143 N 7.88 4.98 0.00 2.60 2.63 0.00 0.00 7.15 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 0.00 144 P 0.00 4.24 0.00 2.24 2.12 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.31 4.30 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 1.15 0.00 0.00 146 L 7.57 4.37 0.00 0.86 1.42 0.56 0.57 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 0.00 147 E 8.49 4.80 0.00 1.96 1.90 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 2.28 2.34 0.00 148 D 8.61 4.72 0.00 2.53 2.78 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 0.00 149 T 8.27 3.97 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 1.22 0.00 0.00 150 G 8.06 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.96 4.23 0.00 2.92 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 0.00 152 Q 7.30 4.15 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 153 V 7.96 3.74 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 0.85 0.00 0.00 0.87 0.00 0.00 154 E 6.66 4.32 0.00 2.04 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 2.27 2.24 0.00 155 V 8.69 3.70 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 0.72 0.00 0.00 0.88 0.00 0.00