NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.3347 8.3193 115.4000 57.6584 64.3456 173.2445 13 M 3.8653 8.2025 118.8407 55.1960 31.6391 174.7284 14 D 4.6572 9.2686 121.7108 54.6512 43.2286 176.5135 15 K 5.3062 8.5671 119.1937 54.7343 36.5101 175.5970 16 V 4.5577 9.0145 122.3144 61.0683 34.0858 174.4355 17 F 5.5652 8.2984 121.6742 55.1204 41.3558 174.4929 18 I 4.5133 8.8144 120.1884 59.7468 40.5382 173.8663 19 E 4.5763 9.1060 128.6876 54.8285 30.6341 175.9683 20 Q 3.3597 8.6394 127.0600 56.8967 26.5931 173.8332 21 L 4.3345 8.6181 120.8526 54.6184 43.6092 176.1503 22 E 5.2138 8.7535 126.2334 55.1679 31.5541 175.9515 23 V 4.5679 8.6499 121.7036 60.4955 35.2822 173.2011 24 I 4.9035 8.1600 123.7597 60.2727 39.3577 174.5989 25 T 4.4423 8.7028 119.9189 61.9432 71.9554 171.6467 26 T 4.6921 8.4491 119.5533 62.5370 69.5356 174.2617 27 I 5.8227 7.8475 126.2087 59.1350 41.1863 173.2030 28 G 4.1389 7.6250 113.9214 43.3019 0.0000 174.6625 29 V 3.5916 7.5100 121.1220 63.5652 32.5004 177.2452 30 Y 4.3931 6.7805 117.7554 57.4743 39.4443 176.2132 31 D 4.3937 8.6830 121.7607 56.9237 41.7499 178.2776 32 W 4.4582 8.1586 117.1793 59.8038 28.0281 178.0772 33 E 3.8502 7.1424 118.8342 58.8012 28.6495 178.5896 34 Q 4.2180 7.6146 115.6979 57.2820 28.9202 177.1205 35 Q 4.6200 7.8574 118.2727 54.6287 29.5335 174.6722 36 I 4.7810 7.0145 112.6484 58.9767 40.9831 174.3599 37 K 4.8010 8.4496 120.1768 55.5566 33.3224 176.2127 38 Q 4.7190 9.0340 122.1882 54.0349 33.5313 173.9009 39 K 4.8624 8.6164 122.1462 55.4536 33.6905 175.6231 40 L 5.0772 9.2216 126.2205 52.9211 45.8840 175.5661 41 V 4.8482 8.6907 120.8944 61.2624 34.7796 174.0448 42 L 5.1562 8.9993 128.0766 53.0931 44.5255 175.0271 43 D 5.3974 9.0489 123.3147 52.5587 43.5389 175.0537 44 L 5.0944 8.9410 123.8040 52.8596 44.8360 175.2960 45 E 5.1891 9.1725 123.0583 54.8275 32.7926 174.7630 46 M 5.2562 9.1033 124.0292 53.0220 35.4007 175.1432 47 A 4.7196 9.5242 126.6897 52.6777 19.2907 176.6581 48 H 4.5068 8.5989 121.0866 55.2499 33.3464 172.9118 49 D 4.4100 8.5982 126.6428 54.0672 41.5359 176.0910 50 N 4.5507 9.5291 125.6810 55.9945 39.0772 177.1806 51 R 3.9159 8.2956 119.7976 59.1393 30.1393 178.5527 52 A 3.9666 7.9703 119.8406 55.3121 18.5372 179.4502 53 A 4.0902 8.0755 118.8928 55.2237 18.3030 179.9111 54 G 3.6050 8.4010 103.8737 47.2461 0.0000 175.0913 55 K 4.2755 7.7143 120.4112 58.4968 32.7808 178.4164 56 S 4.2380 8.1666 113.7626 59.0386 63.1108 174.0560 57 D 4.3354 7.9030 119.2298 54.7646 40.2659 171.9373 58 D 4.9001 7.9380 117.3054 51.5094 42.5652 177.4783 59 V 3.9411 8.4364 126.3352 64.1362 31.7747 177.9162 60 A 4.0246 8.9816 124.2295 55.1429 18.1501 178.0284 61 D 4.5799 8.4219 113.4959 55.0783 41.4700 176.6582 62 A 4.4683 7.5001 122.1716 50.5311 19.9505 176.6385 63 L 4.0350 7.9529 122.1389 54.7311 42.8170 178.5803 64 D 4.6404 8.4950 126.5298 53.5617 38.0942 175.5087 65 Y 4.0122 8.1516 122.6695 59.6234 38.2012 178.5766 66 A 3.6637 6.6577 121.8356 54.8677 18.5276 179.2486 67 Q 3.9196 7.9097 117.6453 59.0801 29.1679 178.3056 68 V 2.9208 7.7072 119.6324 65.8687 31.4735 178.0381 69 S 4.0695 8.1660 115.1563 61.8471 62.7166 176.6653 70 Q 3.9412 8.1707 121.7973 59.0693 28.7486 178.1092 71 A 4.0774 8.2798 122.0277 55.0932 18.4471 179.8448 72 V 3.6043 8.0875 116.9888 65.9418 31.6140 178.3596 73 L 3.9991 8.1499 118.8663 57.8137 41.5001 179.2473 74 E 3.9520 8.1459 118.4621 59.7069 29.2289 178.7508 75 H 4.1193 7.9714 116.7179 59.6853 30.0779 177.0221 76 I 4.0730 8.0346 121.3796 64.3220 36.6992 178.3180 77 E 4.0698 8.6548 119.1524 59.1810 29.4645 177.7623 78 Q 4.2270 8.2975 115.2432 56.1901 29.0960 175.8789 79 G 3.5976 7.4476 107.5498 43.7205 0.0000 173.3130 80 R 4.3049 7.3330 118.6404 54.0909 32.3241 174.5413 81 F 4.8868 8.6687 123.5675 55.6298 42.6460 176.2805 82 L 4.3719 8.5961 124.0401 56.3298 42.0379 177.0868 83 L 4.9407 7.5129 116.8969 52.1690 45.1389 177.9392 84 V 3.5507 8.3250 115.1907 64.4112 31.4364 178.5009 85 E 3.9091 8.2454 118.0859 59.7403 29.2367 179.3641 86 R 3.9440 7.7998 118.5122 59.1716 30.0909 178.7390 87 V 3.1094 7.5364 117.4976 65.6202 31.5437 177.7386 88 A 3.8609 7.8302 120.4867 55.1185 18.2899 179.1114 89 E 3.8402 8.1067 117.8156 59.6267 29.7062 178.9753 90 E 3.9932 8.3657 118.6363 59.2936 29.4732 179.5305 91 V 3.5239 8.0016 118.2683 65.6594 31.5070 177.6902 92 A 3.9238 7.9997 120.5915 55.3446 18.2001 179.3392 93 E 3.8581 8.1418 116.6415 59.5359 29.5198 179.1643 94 L 3.9173 7.8890 120.1461 58.4597 42.0466 179.2773 95 I 4.0306 7.9551 119.3713 64.7316 37.1757 178.2233 96 M 4.2614 8.2133 119.6396 58.8318 31.5894 179.1235 97 T 3.8500 8.2667 114.5617 66.8987 68.8343 177.0326 98 R 3.9123 8.1155 118.4926 57.8757 29.7438 177.9012 99 F 4.6863 8.2524 114.8145 55.7169 40.2368 175.5487 100 A 3.7515 7.9969 120.2062 53.0250 16.3488 177.7458 101 V 3.9603 7.2514 116.5654 63.8035 32.3148 174.2579 102 P 4.6890 0.0000 0.0000 64.1337 32.9216 175.2345 103 W 5.4074 8.0885 129.0470 56.6555 34.0854 172.7380 104 L 4.2223 7.5103 125.0483 54.4190 43.8219 173.8844 105 R 4.6820 8.2524 120.0281 54.4698 33.5646 174.0268 106 I 4.8980 8.6167 125.7890 59.4021 41.1375 174.1670 107 R 4.8709 8.9689 127.1153 54.3893 32.7148 173.8625 108 L 5.0936 9.0769 129.0325 53.5788 44.7616 175.0444 109 T 5.0140 8.8872 122.7454 61.6670 72.4461 173.2889 110 K 4.6845 9.0589 127.6055 53.7959 32.7671 174.5842 111 P 4.4344 0.0000 0.0000 65.4603 31.4779 178.6226 112 G 3.6631 8.2924 106.5565 48.0746 0.0000 174.3523 113 A 4.0709 7.3525 121.8695 54.7743 18.8528 177.5917 114 V 4.5524 7.4957 107.2011 58.7049 34.7882 175.4676 115 P 4.3707 0.0000 0.0000 65.4553 31.5406 177.1759 116 Q 4.2206 8.0831 115.4643 56.3377 28.9910 175.2150 117 A 4.8315 7.5608 120.5383 49.8507 21.9243 176.4949 118 K 4.0506 8.7691 121.3490 59.0145 32.5881 176.8061 119 G 4.0473 7.2593 104.7756 45.4204 0.0000 172.2495 120 V 4.5554 7.4327 111.1137 59.6229 35.9162 176.0676 121 G 3.8209 7.5141 107.2532 46.0662 0.0000 172.6980 122 V 4.6284 7.7385 112.0942 59.5981 36.2221 175.0200 123 I 5.1686 8.2912 122.6260 59.6087 40.0602 174.9432 124 I 4.7317 8.8426 119.9498 59.0357 41.2989 173.9837 125 E 4.8533 8.7060 122.3529 54.7026 32.2381 175.5288 126 R 4.8160 8.4315 121.7614 54.6325 34.6434 174.1217 127 A 5.0739 8.3808 121.1400 50.8271 22.5508 176.3997 128 R 4.1388 8.4286 119.2168 56.4724 30.3768 175.4445 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 12 S 8.32 4.33 0.00 3.82 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 13 M 8.20 3.87 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 14 D 9.27 4.66 0.00 2.80 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 15 K 8.57 5.31 0.00 1.72 1.85 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.60 7.81 16 V 9.01 4.56 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 0.98 0.00 0.00 0.93 0.00 0.00 17 F 8.30 5.57 0.00 3.08 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 18 I 8.81 4.51 1.89 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 1.08 0.71 0.93 0.00 0.00 19 E 9.11 4.58 0.00 2.20 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 2.24 2.34 0.00 20 Q 8.64 3.36 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 21 L 8.62 4.33 0.00 1.73 1.68 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.75 5.21 0.00 1.89 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 2.25 2.45 0.00 23 V 8.65 4.57 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 0.78 0.00 0.00 0.95 0.00 0.00 24 I 8.16 4.90 1.89 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 1.25 0.93 0.94 0.00 0.00 25 T 8.70 4.44 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 1.26 0.00 0.00 26 T 8.45 4.69 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 1.27 0.00 0.00 27 I 7.85 5.82 1.94 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 1.21 0.97 0.98 0.00 0.00 28 G 7.62 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.51 3.59 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 0.39 0.00 0.00 0.32 0.00 0.00 30 Y 6.78 4.39 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.68 4.39 0.00 2.70 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 32 W 8.16 4.46 0.00 3.66 3.32 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 33 E 7.14 3.85 0.00 1.76 1.95 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 1.47 1.47 0.00 34 Q 7.61 4.22 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 35 Q 7.86 4.62 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 36 I 7.01 4.78 1.96 0.00 0.00 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 1.66 0.74 1.02 0.00 0.00 37 K 8.45 4.80 0.00 1.69 1.80 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.43 7.81 38 Q 9.03 4.72 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 39 K 8.62 4.86 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.47 7.81 40 L 9.22 5.08 0.00 1.51 1.46 0.81 0.61 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 41 V 8.69 4.85 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 1.05 0.00 0.00 0.93 0.00 0.00 42 L 9.00 5.16 0.00 1.62 1.51 0.87 0.83 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 43 D 9.05 5.40 0.00 2.54 2.56 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 0.00 0.00 0.00 0.00 44 L 8.94 5.09 0.00 1.56 1.51 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 45 E 9.17 5.19 0.00 1.94 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 2.31 2.30 0.00 46 M 9.10 5.26 0.00 1.97 2.08 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 2.48 2.42 0.00 47 A 9.52 4.72 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 48 H 8.60 4.51 0.00 3.21 3.23 0.00 5.95 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 49 D 8.60 4.41 0.00 2.62 2.51 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 50 N 9.53 4.55 0.00 2.89 2.88 0.00 0.00 6.77 7.28 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 51 R 8.30 3.92 0.00 2.01 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 52 A 7.97 3.97 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 53 A 8.08 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 54 G 8.40 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 55 K 7.71 4.28 0.00 1.80 1.84 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 56 S 8.17 4.24 0.00 4.09 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 57 D 7.90 4.34 0.00 2.82 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 58 D 7.94 4.90 0.00 2.72 2.51 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 59 V 8.44 3.94 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 0.94 0.00 0.00 60 A 8.98 4.02 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 61 D 8.42 4.58 0.00 2.78 2.77 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 62 A 7.50 4.47 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 63 L 7.95 4.03 0.00 1.21 1.47 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.50 4.64 0.00 2.83 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 65 Y 8.15 4.01 0.00 3.19 3.07 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 66 A 6.66 3.66 0.95 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 0.00 0.00 67 Q 7.91 3.92 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 68 V 7.71 2.92 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 0.80 0.00 0.00 0.01 0.00 0.00 69 S 8.17 4.07 0.00 3.98 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 70 Q 8.17 3.94 0.00 2.12 2.17 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 2.46 2.38 0.00 71 A 8.28 4.08 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.09 3.60 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 73 L 8.15 4.00 0.00 1.78 1.72 0.93 0.83 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 74 E 8.15 3.95 0.00 2.13 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 2.35 2.52 0.00 75 H 7.97 4.12 0.00 3.29 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.03 4.07 1.89 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 1.38 1.26 0.85 0.00 0.00 77 E 8.65 4.07 0.00 2.00 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 2.54 2.42 0.00 78 Q 8.30 4.23 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 79 G 7.45 3.60 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 0.00 80 R 7.33 4.30 0.00 1.55 1.55 0.00 3.10 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 81 F 8.67 4.89 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 82 L 8.60 4.37 0.00 1.69 1.64 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.51 4.94 0.00 1.65 1.75 0.90 0.90 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 84 V 8.32 3.55 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 0.77 0.00 0.00 0.89 0.00 0.00 85 E 8.25 3.91 0.00 2.03 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 2.39 2.42 0.00 86 R 7.80 3.94 0.00 1.87 2.17 0.00 3.17 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 87 V 7.54 3.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -0.16 0.00 0.00 88 A 7.83 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 89 E 8.11 3.84 0.00 2.22 1.95 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 2.30 2.39 0.00 90 E 8.37 3.99 0.00 2.29 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 2.39 2.61 0.00 91 V 8.00 3.52 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 0.97 0.00 0.00 0.90 0.00 0.00 92 A 8.00 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.14 3.86 0.00 2.16 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 2.41 2.46 0.00 94 L 7.89 3.92 0.00 1.74 1.94 0.97 0.85 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 95 I 7.96 4.03 1.89 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 1.51 0.66 0.92 0.00 0.00 96 M 8.21 4.26 0.00 2.07 2.13 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 2.79 2.74 0.00 97 T 8.27 3.85 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 1.18 0.00 0.00 98 R 8.12 3.91 0.00 1.72 1.12 0.00 2.77 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 99 F 8.25 4.69 0.00 3.25 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 0.00 100 A 8.00 3.75 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 0.00 101 V 7.25 3.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.03 0.00 0.00 102 P 0.00 4.69 0.00 2.26 2.35 0.00 4.08 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 103 W 8.09 5.41 0.00 3.42 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 0.00 104 L 7.51 4.22 0.00 1.57 1.50 0.70 0.45 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 0.00 105 R 8.25 4.68 0.00 1.50 1.59 0.00 3.07 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 106 I 8.62 4.90 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.78 0.84 0.00 0.00 107 R 8.97 4.87 0.00 1.82 1.73 0.00 3.02 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 108 L 9.08 5.09 0.00 1.67 1.42 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.89 5.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 110 K 9.06 4.68 0.00 1.74 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.35 7.81 111 P 0.00 4.43 0.00 2.23 2.18 0.00 4.01 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 2.00 1.98 0.00 112 G 8.29 3.66 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 0.00 0.00 0.00 113 A 7.35 4.07 1.40 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 0.00 114 V 7.50 4.55 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 0.97 0.00 0.00 0.95 0.00 0.00 115 P 0.00 4.37 0.00 2.19 2.20 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 116 Q 8.08 4.22 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 117 A 7.56 4.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.77 4.05 0.00 1.73 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 119 G 7.26 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.43 4.56 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 0.74 0.00 0.00 0.94 0.00 0.00 121 G 7.51 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 0.00 122 V 7.74 4.63 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 0.70 0.00 0.00 0.88 0.00 0.00 123 I 8.29 5.17 1.86 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 1.38 0.59 0.90 0.00 0.00 124 I 8.84 4.73 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.87 0.00 0.00 125 E 8.71 4.85 0.00 1.85 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 2.14 2.32 0.00 126 R 8.43 4.82 0.00 1.53 1.69 0.00 3.25 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 127 A 8.38 5.07 1.41 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 0.00 128 R 8.43 4.14 0.00 1.80 1.79 0.00 3.31 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00