NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3700 8.3049 118.1867 54.9193 32.7212 174.5047 2 K 4.4661 8.0261 120.2040 55.0541 34.5112 173.8115 3 N 5.6697 9.8737 122.3869 51.4576 42.8056 172.9663 4 A 5.0519 9.1859 124.5778 50.3209 22.4503 174.9549 5 T 4.8896 8.7220 118.9485 61.6925 72.0751 172.9840 6 F 4.7173 8.8870 125.8003 56.1105 41.0663 174.5462 7 Y 5.0399 8.3985 122.2652 56.9857 39.6152 174.6284 8 L 4.9198 9.1299 125.0213 53.8407 42.8998 176.1424 9 L 4.6591 8.6318 124.7733 53.2044 42.9172 176.5007 10 D 4.8993 8.3205 122.8193 52.5278 39.9000 175.3930 11 N 3.3554 7.0114 114.0676 53.2283 39.0214 172.8579 12 D 4.8894 8.2205 116.5485 54.0831 42.0160 175.6504 13 T 3.9480 7.9605 114.6949 63.4457 68.5591 174.2439 14 T 4.5076 8.2957 123.8317 62.6147 69.8931 174.5961 15 V 4.3091 8.3810 124.5438 62.5293 34.6415 175.1591 16 D 4.2820 9.8517 126.7238 55.5310 38.2696 174.6183 17 G 3.9014 8.1512 103.2507 45.7844 0.0000 173.2168 18 L 4.7567 8.0410 120.9650 52.7260 43.5493 176.7575 19 S 4.6677 8.5019 117.9500 57.7085 65.2849 175.3245 20 A 3.9390 8.4027 123.6093 55.2048 17.9570 180.1136 21 V 3.1405 7.5364 116.2106 66.1640 31.6014 178.0284 22 E 3.7704 7.8403 117.8445 59.3379 28.7470 179.4348 23 Q 3.9050 7.9712 118.2831 58.7574 28.7673 178.4658 24 L 3.7060 7.6451 121.3143 57.7708 41.9621 178.9849 25 V 3.4501 7.4870 118.3636 66.2628 31.4167 177.6471 26 C 3.9102 7.6157 115.8471 62.8853 27.8682 176.0587 27 E 3.9649 7.6050 119.2469 59.5334 29.0673 179.6001 28 I 3.2295 7.1951 119.4364 63.9691 37.0509 178.2443 29 A 3.9356 8.0860 121.6811 55.1783 18.1589 179.6000 30 A 4.0919 8.0195 119.1358 55.3931 18.0973 179.4834 31 E 4.0248 8.6324 118.2019 59.6159 29.7699 179.2993 32 R 4.1512 8.7935 119.8666 58.1770 30.1073 178.8177 33 W 4.6074 8.3998 129.6949 60.1709 30.5739 178.3810 34 R 3.3944 8.1346 116.9210 58.3246 29.3028 178.0968 35 S 4.5366 7.5392 112.6056 58.1337 62.9713 175.3046 36 G 3.8784 8.0347 110.3747 45.5667 0.0000 173.5687 37 K 4.7752 7.9735 118.7590 54.9278 34.7373 175.6875 38 R 4.8103 9.2381 122.3520 55.1628 32.1137 175.6767 39 V 4.9249 9.0895 123.5318 60.9376 35.0425 173.7639 40 L 5.1533 8.6737 128.5841 53.3540 44.9814 174.8884 41 I 4.7483 9.0092 127.5716 59.7660 39.1977 175.0284 42 A 4.6628 8.8237 131.4529 50.8603 18.7706 176.3244 43 C 4.7067 8.9138 119.0854 60.1722 28.7700 174.2496 44 E 4.1219 9.5547 122.6671 58.7482 29.5771 176.6014 45 D 4.7899 7.5910 116.9446 50.8711 43.6898 175.5219 46 E 3.2600 8.4691 119.5921 58.9969 29.4264 178.7033 47 K 3.8304 7.8526 118.0842 59.5449 32.1891 178.9073 48 Q 3.9682 8.4268 119.5455 58.8642 28.8409 178.1155 49 A 4.0358 7.7619 121.6716 55.6161 18.5782 179.2104 50 Y 3.7666 8.2531 115.1735 60.9655 37.7559 179.0967 51 R 3.8703 8.1023 119.6565 59.5939 30.2108 178.7054 52 L 3.9056 8.0353 118.7861 57.5912 41.3138 178.8914 53 D 4.2345 8.1919 117.8366 57.2741 41.5310 177.8036 54 E 4.2087 8.2480 119.4939 59.2764 29.6844 178.4356 55 A 4.0209 8.2386 121.1393 55.2552 18.2409 179.3148 56 L 4.0853 7.7799 117.0519 55.8650 41.6145 178.5826 57 W 4.7901 7.7732 117.1341 57.0911 29.5281 176.3729 58 A 4.7788 7.8851 119.6491 51.7059 20.7664 176.3833 59 R 4.7124 8.2261 114.5569 53.6329 33.6008 173.6241 60 P 4.3633 0.0000 0.0000 61.7531 32.1676 176.2648 61 A 4.1350 8.3296 122.7642 53.2189 19.0780 176.8430 62 E 3.8931 8.7780 116.2025 56.9261 26.8839 174.2968 63 S 4.7994 7.7395 109.8929 57.3297 66.3294 174.1037 64 F 4.6573 8.5686 122.3787 56.6370 39.6215 172.7080 65 V 3.1624 7.5491 125.8787 59.4007 31.1398 173.5974 66 P 4.0502 0.0000 0.0000 63.0030 31.9097 175.0723 67 H 5.1638 7.7334 118.2547 55.6722 31.4735 172.0732 68 N 4.9266 8.1602 114.6243 51.9554 43.3070 174.1967 69 L 4.6814 8.4329 120.1457 54.1664 43.3107 176.6890 70 A 4.0789 8.2124 124.6250 53.9010 18.6094 178.5975 71 G 3.9283 9.0774 110.3684 45.0586 0.0000 172.2706 72 E 4.6264 7.7178 117.7411 54.7575 32.8917 175.2181 73 G 3.7995 8.5797 107.4258 44.1570 0.0000 170.6306 74 P 4.4932 0.0000 0.0000 61.8285 32.0407 175.2814 75 R 4.1363 8.2249 118.8929 57.8136 30.1701 176.5919 76 G 3.8226 8.7502 113.2873 44.7582 0.0000 174.3158 77 G 3.9594 7.8912 103.4869 45.0633 0.0000 173.2924 78 A 4.3036 7.9923 121.6737 50.7879 19.4728 175.9179 79 P 4.4923 0.0000 0.0000 65.0351 32.8018 176.6491 80 V 4.7244 7.5265 119.4835 60.9285 33.9350 174.1650 81 E 5.1557 9.4559 129.3129 54.3798 32.7808 174.5307 82 I 4.9066 8.4754 126.8108 59.7957 39.6076 174.6021 83 A 4.9725 8.8905 128.9342 49.5183 22.9035 174.2866 84 W 5.4686 7.2632 114.1314 54.4784 31.6913 174.5448 85 P 4.0309 0.0000 0.0000 65.7464 31.4169 177.7840 86 Q 4.4469 7.9143 115.6420 54.2547 27.8706 175.8984 87 K 4.1663 7.4725 117.3057 55.2457 35.6697 175.2920 88 R 3.9026 8.3325 127.0387 56.0548 30.7121 175.4414 89 S 4.8404 8.1397 118.6302 56.1547 65.7201 173.5236 90 S 4.4535 8.9810 116.5927 57.6623 63.8253 175.1244 91 S 4.3807 8.3135 118.7168 59.0979 64.2725 173.3068 92 R 3.8197 8.3062 116.0856 58.2463 26.9560 176.4600 93 R 4.7904 7.7744 114.5677 54.7423 32.7735 176.2923 94 D 4.7585 8.6438 120.9685 56.3634 42.0463 176.9902 95 I 4.9519 7.7438 117.0259 59.2189 41.9961 173.4376 96 L 4.7040 8.6374 130.6673 53.2853 44.3560 175.1247 97 I 4.6263 8.7116 127.1828 59.6473 39.2251 174.1619 98 S 4.7282 8.6190 122.7487 57.1541 63.0914 173.7252 99 L 4.8904 8.7923 125.7504 54.4920 42.3918 176.8580 100 R 4.3301 7.8053 119.5191 56.0216 30.4708 178.0347 101 T 4.1808 8.9779 113.6302 63.8574 68.9552 174.5699 102 S 4.8505 7.1947 116.9992 55.7888 66.1078 173.5795 103 F 3.9484 8.8875 125.0975 58.3896 39.6460 174.1350 104 A 4.3749 7.4550 130.2339 49.8327 20.8420 176.8354 105 D 4.0782 8.3485 122.3988 56.8671 41.8230 177.9557 106 F 4.1747 8.3669 120.4297 61.4875 39.1200 176.6553 107 A 4.1248 8.1815 120.6482 55.1220 17.9179 179.1180 108 T 4.3719 8.0686 106.6041 63.7398 68.9235 175.7156 109 A 4.0853 7.8791 123.0886 52.6375 18.8400 176.9713 110 F 4.6829 7.7184 115.7114 56.1185 41.4888 175.5806 111 T 4.5414 8.4156 110.5264 61.9696 70.8221 173.7350 112 E 5.1292 8.2792 121.9764 54.7467 33.4508 174.5688 113 V 4.7293 9.1899 124.6772 60.8847 35.4754 174.1396 114 V 4.4823 8.5734 127.1078 61.1188 34.2491 173.8542 115 D 4.7017 8.2193 126.5058 52.2753 45.0996 173.4669 116 F 5.3625 8.2906 116.6368 55.9509 43.7193 175.4185 117 V 4.5134 8.9401 120.6362 60.2680 32.4454 173.4291 118 P 4.7383 0.0000 0.0000 62.3984 32.1666 176.5912 119 Y 4.3444 8.7303 121.3658 60.7959 38.8559 176.7352 120 E 3.8597 8.4235 122.0429 57.3296 31.1711 177.8228 121 D 4.3992 8.6033 129.3186 59.1747 40.0677 179.2676 122 S 4.4771 7.5680 119.9860 63.4308 62.4895 178.8845 123 L 4.3102 7.9641 122.2817 57.2197 41.2184 179.8599 124 K 4.0388 7.7851 118.5445 59.3995 32.0096 178.8681 125 Q 3.9315 7.8776 119.6937 59.3640 28.8236 178.5912 126 L 4.1829 7.9649 119.1625 57.6861 41.6368 179.1555 127 A 4.2291 8.1809 120.7771 55.2398 18.4790 179.7051 128 R 3.8003 8.6283 116.9902 59.5166 30.2185 179.0214 129 E 3.9980 8.3166 118.0431 59.6898 29.5114 179.7049 130 R 4.0400 8.4250 118.2001 59.3259 30.2574 178.3360 131 Y 3.8193 8.4078 119.6880 60.7600 38.6506 178.5532 132 K 3.9608 8.1064 118.6712 59.2956 32.0674 179.1593 133 A 3.6417 7.7795 120.8737 55.3160 18.2329 179.1955 134 Y 3.4197 7.5015 115.0907 60.9782 37.7464 179.2023 135 R 3.8564 7.6559 118.5460 59.4616 30.0570 179.4435 136 V 3.5480 7.6832 116.1006 65.5079 31.5692 177.2235 137 A 4.3213 7.8110 119.0811 52.9894 18.4024 178.1043 138 G 3.9070 8.1977 105.9510 44.9444 0.0000 173.7756 139 F 4.4983 8.2824 117.7751 56.9148 40.1583 174.8215 140 N 4.6836 9.1835 121.6478 52.9446 39.7921 173.8326 141 L 5.0075 8.4532 126.4907 53.9225 43.3197 175.7980 142 N 5.2584 9.0672 119.0588 51.9848 43.3462 173.4364 143 T 5.2176 8.1674 115.4153 62.3532 72.8329 172.8830 144 A 4.5167 8.4784 124.5030 51.9640 23.5960 174.9314 145 T 5.1109 8.4786 115.5071 61.3384 71.0564 174.5893 146 W 4.3627 9.3644 135.0000 58.0994 31.1886 176.4973 147 K 3.9423 7.8074 126.3033 55.0232 31.9170 171.8382 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 4.37 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 2 K 8.03 4.47 0.00 1.16 1.61 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.41 1.34 7.81 3 N 9.87 5.67 0.00 2.84 2.69 0.00 0.00 6.70 7.92 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 4 A 9.19 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.72 4.89 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 0.66 0.00 0.00 6 F 8.89 4.72 0.00 3.00 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 7 Y 8.40 5.04 0.00 3.20 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 8 L 9.13 4.92 0.00 1.61 1.72 0.97 1.02 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 9 L 8.63 4.66 0.00 1.69 1.80 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.32 4.90 0.00 2.72 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 11 N 7.01 3.36 0.00 2.54 2.50 0.00 0.00 5.92 8.06 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 12 D 8.22 4.89 0.00 2.93 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 13 T 7.96 3.95 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 1.19 0.00 0.00 14 T 8.30 4.51 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 1.22 0.00 0.00 15 V 8.38 4.31 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 0.99 0.00 0.00 0.95 0.00 0.00 16 D 9.85 4.28 0.00 2.79 2.67 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 17 G 8.15 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.04 4.76 0.00 1.75 1.51 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.50 4.67 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.40 3.94 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 21 V 7.54 3.14 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 0.28 0.00 0.00 0.82 0.00 0.00 22 E 7.84 3.77 0.00 2.10 1.88 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 2.20 2.23 0.00 23 Q 7.97 3.91 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 24 L 7.65 3.71 0.00 1.69 1.58 0.25 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.49 3.45 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 0.98 0.00 0.00 0.67 0.00 0.00 26 C 7.62 3.91 0.00 3.05 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 27 E 7.61 3.96 0.00 1.78 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 0.00 2.35 2.48 0.00 28 I 7.20 3.23 1.51 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.68 0.00 0.00 29 A 8.09 3.94 1.27 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 0.00 0.00 30 A 8.02 4.09 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 31 E 8.63 4.02 0.00 2.45 2.41 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 2.45 2.77 0.00 32 R 8.79 4.15 0.00 1.96 2.04 0.00 3.45 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 33 W 8.40 4.61 0.00 3.41 3.50 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 34 R 8.13 3.39 0.00 1.86 1.86 0.00 3.44 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.91 0.00 35 S 7.54 4.54 0.00 4.05 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 36 G 8.03 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 0.00 0.00 0.00 37 K 7.97 4.78 0.00 1.90 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.60 7.81 38 R 9.24 4.81 0.00 1.82 1.92 0.00 3.11 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 39 V 9.09 4.92 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 0.82 0.00 0.00 1.02 0.00 0.00 40 L 8.67 5.15 0.00 1.96 1.49 1.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.01 4.75 1.84 0.00 0.00 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 1.11 0.49 0.89 0.00 0.00 42 A 8.82 4.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.91 4.71 0.00 3.11 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 44 E 9.55 4.12 0.00 2.08 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 2.34 2.31 0.00 45 D 7.59 4.79 0.00 2.81 2.71 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 46 E 8.47 3.26 0.00 1.36 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 47 K 7.85 3.83 0.00 2.04 1.79 0.00 1.40 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.44 7.81 48 Q 8.43 3.97 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 49 A 7.76 4.04 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 0.00 0.00 0.00 0.00 0.00 50 Y 8.25 3.77 0.00 3.11 3.02 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 51 R 8.10 3.87 0.00 2.07 2.11 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 52 L 8.04 3.91 0.00 1.81 1.59 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.19 4.23 0.00 2.58 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 54 E 8.25 4.21 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 55 A 8.24 4.02 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 56 L 7.78 4.09 0.00 0.96 0.71 0.49 0.60 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 57 W 7.77 4.79 0.00 3.49 3.13 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 58 A 7.89 4.78 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.23 4.71 0.00 1.74 1.75 0.00 3.11 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 60 P 0.00 4.36 0.00 2.10 2.03 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 61 A 8.33 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.78 3.89 0.00 2.17 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 2.27 2.32 0.00 63 S 7.74 4.80 0.00 4.07 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 64 F 8.57 4.66 0.00 3.03 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 65 V 7.55 3.16 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.83 0.00 0.00 66 P 0.00 4.05 0.00 1.92 1.98 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.44 0.00 67 H 7.73 5.16 0.00 2.97 2.83 0.00 5.15 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.16 4.93 0.00 2.58 2.66 0.00 0.00 6.84 6.74 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 69 L 8.43 4.68 0.00 1.64 1.79 0.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.21 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.08 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 72 E 7.72 4.63 0.00 2.05 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 2.26 2.25 0.00 73 G 8.58 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 74 P 0.00 4.49 0.00 2.25 2.26 0.00 3.71 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 2.15 1.98 0.00 75 R 8.22 4.14 0.00 1.80 1.89 0.00 3.26 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 76 G 8.75 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 77 G 7.89 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.99 4.30 1.25 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 0.00 0.00 0.00 79 P 0.00 4.49 0.00 1.83 2.42 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 80 V 7.53 4.72 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 0.79 0.00 0.00 0.73 0.00 0.00 81 E 9.46 5.16 0.00 1.98 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 2.13 2.19 0.00 82 I 8.48 4.91 1.87 0.00 0.00 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 1.09 0.50 1.00 0.00 0.00 83 A 8.89 4.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 W 7.26 5.47 0.00 3.36 3.28 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 85 P 0.00 4.03 0.00 2.13 2.20 0.00 3.97 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 86 Q 7.91 4.45 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 87 K 7.47 4.17 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.55 0.00 0.00 3.11 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.70 7.81 88 R 8.33 3.90 0.00 1.71 1.70 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 89 S 8.14 4.84 0.00 4.12 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 90 S 8.98 4.45 0.00 4.02 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 91 S 8.31 4.38 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.31 3.82 0.00 2.22 2.02 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 93 R 7.77 4.79 0.00 2.01 2.06 0.00 3.42 0.00 0.00 3.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 94 D 8.64 4.76 0.00 2.67 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 95 I 7.74 4.95 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.55 0.96 0.00 0.00 96 L 8.64 4.70 0.00 0.27 0.84 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.71 4.63 1.85 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 1.05 0.52 1.03 0.00 0.00 98 S 8.62 4.73 0.00 3.87 3.76 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 99 L 8.79 4.89 0.00 1.65 1.64 0.91 0.72 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 0.00 100 R 7.81 4.33 0.00 2.03 1.87 0.00 3.11 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 101 T 8.98 4.18 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 1.25 0.00 0.00 102 S 7.19 4.85 0.00 4.05 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 0.00 103 F 8.89 3.95 0.00 2.65 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.45 4.37 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 0.00 105 D 8.35 4.08 0.00 2.77 2.69 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 0.00 106 F 8.37 4.17 0.00 3.11 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 0.00 107 A 8.18 4.12 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 0.00 108 T 8.07 4.37 4.33 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 0.00 0.00 0.00 1.68 0.00 0.00 109 A 7.88 4.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.72 4.68 0.00 3.03 3.02 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 0.00 111 T 8.42 4.54 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 1.19 0.00 0.00 112 E 8.28 5.13 0.00 2.10 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 2.34 2.27 0.00 113 V 9.19 4.73 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 0.76 0.00 0.00 1.09 0.00 0.00 114 V 8.57 4.48 1.88 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 0.59 0.00 0.00 0.92 0.00 0.00 115 D 8.22 4.70 0.00 1.59 1.54 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 0.00 116 F 8.29 5.36 0.00 2.92 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 0.00 117 V 8.94 4.51 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 1.07 0.00 0.00 1.14 0.00 0.00 118 P 0.00 4.74 0.00 2.16 2.05 0.00 3.86 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 2.13 2.20 0.00 119 Y 8.73 4.34 0.00 2.94 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 0.00 120 E 8.42 3.86 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 121 D 8.60 4.40 0.00 2.82 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 0.00 122 S 7.57 4.48 0.00 3.82 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 0.00 123 L 7.96 4.31 0.00 1.72 1.82 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.79 4.04 0.00 1.99 1.85 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.75 7.81 125 Q 7.88 3.93 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 126 L 7.96 4.18 0.00 1.99 1.78 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.18 4.23 1.62 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 0.00 0.00 128 R 8.63 3.80 0.00 2.04 1.98 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 129 E 8.32 4.00 0.00 2.30 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 2.36 2.55 0.00 130 R 8.43 4.04 0.00 2.44 2.46 0.00 3.35 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 131 Y 8.41 3.82 0.00 2.70 2.98 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 0.00 132 K 8.11 3.96 0.00 2.10 1.84 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.33 7.81 133 A 7.78 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.50 3.42 0.00 3.00 2.71 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 0.00 135 R 7.66 3.86 0.00 2.06 1.91 0.00 3.24 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 136 V 7.68 3.55 1.98 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 0.79 0.00 0.00 0.89 0.00 0.00 137 A 7.81 4.32 1.55 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 0.00 138 G 8.20 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 0.00 139 F 8.28 4.50 0.00 3.03 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 0.00 140 N 9.18 4.68 0.00 2.76 2.96 0.00 0.00 7.28 6.47 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 0.00 141 L 8.45 5.01 0.00 1.43 1.40 -0.01 0.74 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 0.00 142 N 9.07 5.26 0.00 2.55 2.62 0.00 0.00 6.58 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.17 5.22 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 0.00 144 A 8.48 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.48 5.11 4.35 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 1.33 0.00 0.00 146 W 9.36 4.36 0.00 3.01 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 0.00 147 K 7.81 3.94 0.00 1.77 1.48 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.27 1.00 7.81